# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-15T01:46:51+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C 1 2 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000082","12.075","0.006","6.972","0.003","10.214","0.005","90","","113.2","0.02","90","","790.4","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Dirubidium sodium hexaaluminium fluoride","","- Al6 F21 Na Rb2 -","- Al6 F21 Na Rb2 -","- Al12 F42 Na2 Rb4 -","2","0.5","","Le Bail, A; Gao, Y; Jacoboni, C","Crystal structure of Rb~2~NaAl~6~F~21~; a new term of the A~2~Na(Al~x~F~3x+1~)~3~ family (A= Rb, Cs)","European Journal of Solid State Inorganic Chemistry","1989","26","","281","288","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001329","12.119","0.004","6.908","0.003","7.928","0.003","90","","92.84","","90","","662.9","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cobalt neptunium(IV) fluoride trihydrate","","- Co F6 H6 Np O3 -","- Co F6 H6 Np O3 -","- Co4 F24 H24 Np4 O12 -","4","1","","Abazli, H; Cousson, A; Jove, J; Pages, M; Gasperin, M","Les composes Co Np F~6~ (H~2~ O)~3~ et Co U F~6~ (H~2~ O)~3~. Etude structurale, mesur des susceptibilites magnetiques et resonance Moessbauer (^237^Np)","Journal of the Less-Common Metals","1984","96","","23","33","10.1016/0022-5088(84)90176-0","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001347","16.512","0.003","8.169","0.002","6.582","0.001","90","","96.97","0.03","90","","881.3","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Calcium diboron diuranium decaoxide","","- B2 Ca O10 U2 -","- B2 Ca O10 U2 -","- B8 Ca4 O40 U8 -","4","1","","Gasperin, M","Synthese et structure du borouranate de calcium: Ca B~2~ U~2~ O~10~.","Acta Crystallographica C (39,1983-)","1987","43","","1247","1250","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004008","6.221","0.001","10.7702","0.0005","6.935","0.003","90","","107.09","0.02","90","","444.14","","","","","","","","","","","","","4","C 1 2 1","","5","","Copper(I) Chromium Hexaselenodiphosphate(IV)","","- Cr Cu P2 Se6 -","- Cr Cu P2 Se6 -","- Cr2 Cu2 P4 Se12 -","2","0.5","","Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E.","Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr)","Journal of Alloys and Compounds","1999","283","1-2","122","127","10.1016/S0925-8388(98)00899-8","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1010519","7.42","0.07","4.29","0.04","14.1","","90","","92","","90","","448.6","","","","","","","","","","","","","1","C 1 2 1","C 2y","5","","Polonium","","- Po -","- Po -","- Po12 -","12","3","","Rollier, M A; Hendricks, S B; Maxwell, L R","The Crystal Structure of Polonium by Electron Diffraction","Journal of Chemical Physics","1936","4","","648","652","10.1063/1.1749762","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010868","56.7","0.1","6.54","0.02","18.44","0.04","90","","90","0.3","90","","6837.9","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","Calcium sodium alumosilicate hydrate * e","Mesolite","- Al6 Ca2 H16 Na2 O38 Si9 -","","","8","2","","Hey, M H; Bannister, F A","Studies on the Zeolites. Part V. Mesolite.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1933","23","","421","447","10.1180/minmag.1933.023.143.01","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100380","33.466","0.004","6.977","0.001","9.89","0.002","90","","96.73","0.01","90","","2293.33","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H30 N2 -","- C27 H30 N2 -","- C108 H120 N8 -","4","1","","Reetz, Manfred T.; Kayser, Frank; Harms, Klaus","Stereoselective synthesis of β-amino nitriles and 1,3-diamines","Tetrahedron Letters","1994","35","47","8769","8772","10.1016/s0040-4039(00)78493-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176940","2020-10-21","18:00:00",""
"1101098","39.54","0.05","8.72","0.01","22.89","0.03","90","","95.26","0.1","90","","7859","17","293","2","293","2","","","101.3","","","","","4","C 1 2 1","C 2y","5","3',5'-di-O-acetyl-N(4)-hydroxy-2'-deoxycytidine","","","- C65 H85 N15 O35 -","- C65 H85 N15 O35 -","- C260 H340 N60 O140 -","4","1","","Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech","","Struct. Chem.","2005","","","541","549","10.1007/s11224-005-6058-9","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101099","21.72","0.03","8.72","0.01","8.61","0.01","90","","90.42","0.1","90","","1631","3","293","2","293","2","","","101.3","","","","","5","C 1 2 1","C 2y","5","3',5'-di-O-acetyl-N(4)-hydroxy-5-fluoro-2'-deoxycytidine","","","- C13 H16 F N3 O7 -","- C13 H16 F N3 O7 -","- C52 H64 F4 N12 O28 -","4","1","","Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech","","Struct. Chem.","2005","","","541","549","10.1007/s11224-005-6058-9","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101100","12.925","0.003","6.367","0.001","16.628","0.003","90","","98.07","0.02","90","","1354.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Alejandro F. Barrero; María M. Herrador; Ramón J. Álvarez-Manzaneda; Miguel Quirós; Armando Lara; José Quílez del Moral","Longipinene derivatives from Santolina Viscosa","Journal of Natural Products","2000","63","","587","591","10.1021/np9904206","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500046","23.8522","0.0015","7.531","0.0004","14.0178","0.0008","90","","106.009","0.002","90","","2420.4","0.2","571","2","571","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C40 H52 Ag2 F6 N O7 P S4 -","- C40 H52 Ag2 F6 N O7 P S4 -","- C80 H104 Ag4 F12 N2 O14 P2 S8 -","2","0.5","","Yoon, Il; Lee, Yoon Hee; Lee, Shim Sung; Lee, Sang Cheol; Park, Sung Bae","S2O2 donor cyclic and acyclic ionophores: Potentiometric sensing for Ag(i) and a new nitrate-bridged dimeric Ag(i) complex of the acyclic ionophore with an unusual structure","The Analyst","2001","126","10","1773","","10.1039/b105136a","","","0.71073","MoKα","","0.0383","0.034","","","0.095","0.0989","","","","","","1.03","","","","has coordinates","287927","2023-12-01","08:31:07",""
"1501843","31.391","0.014","7.212","0.003","12.407","0.005","90","","103.261","0.006","90","","2734","2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1492","0.0649","","","0.1406","0.1886","","","","","","0.948","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501844","31.267","0.006","6.8755","0.0014","14.753","0.003","90","","111.429","0.002","90","","2952.3","1","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H38 O5 -","- C27 H38 O5 -","- C108 H152 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.0924","0.0749","","","0.2065","0.224","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501865","20.063","0.011","10.21","0.006","21.815","0.016","90","","89.42","0.02","90","","4468","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C51 H44 O5 S2 -","- C51 H44 O5 S2 -","- C204 H176 O20 S8 -","4","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1183","0.0997","","","0.244","0.1942","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501911","17.639","0.003","13.026","0.002","12.1899","0.0018","90","","122.269","0.009","90","","2368.2","0.7","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","Yang, Zhigang; Wang, Zhen; Bai, Sha; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric α-amination of 4-substituted pyrazolones catalyzed by a chiral Gd(OTf)3/N,N'-dioxide complex: highly enantioselective synthesis of 4-amino-5-pyrazolone derivatives.","Organic letters","2011","13","4","596","599","10.1021/ol102804p","","","1.54186","CuKα","","0.0697","0.0591","","","0.1262","0.1316","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501979","15.176","0.002","9.6244","0.0015","8.8976","0.0014","90","","94.396","0.002","90","","1295.8","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C48 H60 Cl4 O12 S4 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0398","0.0394","","","0.1093","0.11","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502003","50.084","0.004","5.9938","0.0006","13.2247","0.001","90","","105.051","0.004","90","","3833.8","0.6","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H70 O14 -","- C32 H60 O14 -","- C128 H240 O56 -","4","1","","Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier","Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.","Organic letters","2011","13","6","1354","1357","10.1021/ol200047v","","","1.5418","CuKα","","0.104","0.0833","","0.116","0.0862","0.0862","","","","","","0.9263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502141","23.306","0.007","5.8518","0.0019","17.515","0.006","90","","91.215","0.005","90","","2388.2","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Br N O2 -","- C28 H26 Br N O2 -","- C112 H104 Br4 N4 O8 -","4","1","","Cao, Ziping; Liu, Yilin; Liu, Zhaoqun; Feng, Xiangqing; Zhuang, Minyang; Du, Haifeng","Pd-catalyzed asymmetric allylic alkylation of indoles and pyrroles by chiral alkene-phosphine ligands.","Organic letters","2011","13","9","2164","2167","10.1021/ol200602x","","","0.71073","MoKα","","0.0465","0.0411","","","0.0973","0.1078","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502153","16.766","0.016","9.077","0.008","12.502","0.012","90","","107.494","0.01","90","","1815","3","103","","103","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 F3 N O3 S -","- C17 H22 F3 N O3 S -","- C68 H88 F12 N4 O12 S4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.7107","MoKα","","","0.045","","","","0.0747","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502163","30.274","0.003","12.6304","0.0013","9.3737","0.001","90","","97.186","0.002","90","","3556.1","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H56 N2 O2 -","- C38 H56 N2 O2 -","- C152 H224 N8 O8 -","4","1","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0772","0.0576","","","0.1437","0.1619","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502300","53.785","0.003","8.059","0.0004","18.4575","0.0009","90","","107.258","0.003","90","","7640.3","0.7","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21.5 N6.5 O7 -","- C16 H21.5 N6.5 O7 -","- C256 H344 N104 O112 -","16","4","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0654","0.0533","","","0.1225","0.1305","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502345","18.9697","0.0009","6.1032","0.0003","12.078","0.0006","90","","95.162","0.003","90","","1392.67","0.12","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Ovalles, Stephanie R.; Hansen, Jørn H; Davies, Huw M. L.","Thermally induced cycloadditions of donor/acceptor carbenes.","Organic letters","2011","13","16","4284","4287","10.1021/ol201628d","","","1.54178","CuKα","","0.0677","0.0589","","","0.1853","0.2174","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502435","23.8735","0.0004","10.3412","0.0001","23.7886","0.0003","90","","107.843","0.001","90","","5590.45","0.13","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H93 F4 N8 O25 -","- C128 H93 F4 N8 O25 -","- C256 H186 F8 N16 O50 -","2","0.5","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.0441","0.0427","","","0.1223","0.1242","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502489","21.77","0.0007","12.9719","0.0004","14.4182","0.0005","90","","94.7022","0.0004","90","","4058","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 N4 O19 -","- C38 H32 N4 O19 -","- C152 H128 N16 O76 -","4","1","","Peng, Wenjie; Jayasuriya, Anushka B.; Imamura, Akihiro; Lowary, Todd L.","Synthesis of the 6-O-methyl-D-glycero-α-L-gluco-heptopyranose moiety present in the capsular polysaccharide from Campylobacter jejuni NCTC 11168.","Organic letters","2011","13","19","5290","5293","10.1021/ol202152r","","","0.71073","MoKα","","0.036","0.0343","","","0.0926","0.0943","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502506","23.5483","0.0011","5.9268","0.0003","11.3734","0.0005","90","","104.05","0.003","90","","1539.85","0.13","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Cl N O3 S -","- C14 H20 Cl N O3 S -","- C56 H80 Cl4 N4 O12 S4 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","0.71073","MoKα","","0.0406","0.0318","","","0.0686","0.0724","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502524","10.00787","0.00016","26.3372","0.0005","10.8051","0.0002","90","","99.8553","0.0016","90","","2805.97","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.0391","0.0356","","","0.0958","0.0993","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502623","24.264","0.008","24.798","0.01","26.166","0.008","90","","104.12","0.02","90","","15268","9","100.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H84 Cl2 N6 P2 Ru -","- C74 Cl2 N6 P2 Ru -","- C592 Cl16 N48 P16 Ru8 -","8","2","","Goto, Mitsutaka; Konishi, Takahiro; Kawaguchi, Shinji; Yamada, Masatoshi; Nagata, Toshiaki; Yamano, Mitsuhisa","Process Research on the Asymmetric Hydrogenation of a Benzophenone for Developing the Manufacturing Process of the Squalene Synthase Inhibitor TAK-475","Organic Process Research & Development","2011","15","5","1178","","10.1021/op2001673","","","1.5419","CuKα","","0.1948","0.1857","","","","0.46","","","","","","1.72","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502666","24.701","0.003","6.5249","0.0009","18.081","0.004","90","","131.621","0.002","90","","2178.5","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H28 B10 O -","- C19 H28 B10 O -","- C76 H112 B40 O4 -","4","1","","Beer, Michael L.; Lemon, Jennifer; Valliant, John F.","Preparation and evaluation of carborane analogues of tamoxifen.","Journal of medicinal chemistry","2010","53","22","8012","8020","10.1021/jm100758j","","","0.71073","MoKα","","0.0458","0.0389","","","0.1004","0.1047","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502715","35.166","0.002","8.308","0.005","22.479","0.001","90","","101.477","0.004","90","","6436","4","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H70 Cl4 Cu2 N12 O23 -","- C54 H70 Cl4 Cu2 N12 O23 -","- C216 H280 Cl16 Cu8 N48 O92 -","4","1","","Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.","Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes.","The journal of physical chemistry. B","2010","114","36","11942","11948","10.1021/jp105528y","","","0.897","synchrotron","","0.1213","0.1077","","","0.3123","0.3342","","","","","","1.208","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502821","17.066","0.004","6.9212","0.0015","19.004","0.004","90","","100.536","0.004","90","","2206.9","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C88 H112 O24 -","4","1","","Wang, Qi; Chen, Tzu-Hsuan; Bastow, Kenneth F.; Lee, Kuo-Hsiung; Chen, Dao-Feng","Altaicalarins A-D, cytotoxic bisabolane sesquiterpenes from Ligularia altaica.","Journal of natural products","2010","73","2","139","142","10.1021/np900489h","","","0.71073","MoKα","","0.1245","0.0564","","","0.122","0.1489","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502872","20.425","0.005","8.0342","0.0019","11.639","0.003","90","","102.867","0.004","90","","1862","0.8","125","2","125","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Solomon, Marissa R.; Sivaguru, J.; Jockusch, Steffen; Adam, Waldemar; Turro, Nicholas J.","Decoding stereocontrol during the photooxygenation of oxazolidinone-functionalized enecarbamates.","Organic letters","2010","12","9","2142","2145","10.1021/ol100174r","","","0.71073","MoKα","","0.1623","0.0711","","","0.1473","0.178","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502883","17.1435","0.0006","10.1913","0.0005","10.6419","0.0004","90","","109.586","0.002","90","","1751.71","0.13","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C80 H76 Cl4 N8 O8 -","4","1","","Wang, Xu-Fan; Chen, Jia-Rong; Cao, Yi-Ju; Cheng, Hong-Gang; Xiao, Wen-Jing","An enantioselective approach to highly substituted tetrahydrocarbazoles through hydrogen bonding-catalyzed cascade reactions.","Organic letters","2010","12","5","1140","1143","10.1021/ol1001818","","","0.71073","MoKα","","0.076","0.056","","","0.1239","0.149","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503158","31.131","0.003","7.805","0.0007","22.844","0.002","90","","110.163","0.004","90","","5210.4","0.8","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H35 N3 O6 S Si -","- C22 H35 N3 O6 S Si -","- C176 H280 N24 O48 S8 Si8 -","8","2","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.0288","0.0249","","","0.0677","0.076","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503178","18.7232","0.0004","6.9539","0.0002","14.145","0.0004","90","","120.22","0.0013","90","","1591.39","0.08","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H19 Br N2 O -","- C18 H19 Br N2 O -","- C72 H76 Br4 N8 O4 -","4","1","","Holloway, Chloe A.; Muratore, Michael E.; Storer, R. Lan; Dixon, Darren J.","Direct enantioselective Brønsted acid catalyzed N-acyliminium cyclization cascades of tryptamines and ketoacids.","Organic letters","2010","12","21","4720","4723","10.1021/ol101651t","","","0.71073","MoKα","","0.0546","0.0386","","0.0812","0.073","0.0812","","","","","","0.9334","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503304","23.844","0.006","6.1411","0.0012","23.447","0.005","90","","110.722","0.006","90","","3211.2","1.2","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H40 N4 O7 -","- C30 H40 N4 O7 -","- C120 H160 N16 O28 -","4","1","","Krow, Grant R.; Liu, Nian; Sender, Matthew; Lin, Guoliang; Centafont, Ryan; Sonnet, Philip E.; DeBrosse, Charles; Ross, 3rd, Charles W; Carroll, Patrick J.; Shoulders, Matthew D.; Raines, Ronald T.","Oligomers of a 5-carboxy-methanopyrrolidine β-amino acid. A search for order.","Organic letters","2010","12","23","5438","5441","10.1021/ol1022917","","","0.71073","MoKα","","0.0848","0.0742","","","0.1802","0.1886","","","","","","1.03","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503390","15.457","0.003","9.311","0.002","15.892","0.003","90","","110.108","0.013","90","","2147.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Caron, Pierre-Yves; Deslongchamps, Pierre","Versatile strategy to access tricycles related to quassinoids and triterpenes.","Organic letters","2010","12","3","508","511","10.1021/ol902711b","","","1.54176","CuKα","","0.0954","0.0756","","","0.1855","0.2075","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503464","17.48","0.04","7.99","0.018","12.93","0.03","90","","132.34","0.03","90","","1335","5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Asperolide A","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui","Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.","Journal of natural products","2012","75","2","148","152","10.1021/np2006742","","","0.71073","MoKα","","0.1361","0.0922","","","0.2362","0.2889","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503521","27.33","0.003","5.2842","0.0005","14.3245","0.0014","90","","100.363","0.001","90","","2035","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","09204a","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","0.71073","MoKα","","0.0511","0.0375","","","0.0856","0.0932","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503540","16.6297","0.0004","8.0075","0.0002","10.8932","0.0003","90","","91.258","0.001","90","","1450.21","0.06","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","tenuipyrone","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Asai, Teigo; Chung, Yu-Ming; Sakurai, Hiroaki; Ozeki, Tomoji; Chang, Fang-Rong; Yamashita, Kouwa; Oshima, Yoshiteru","Tenuipyrone, a novel skeletal polyketide from the entomopathogenic fungus, Isaria tenuipes, cultivated in the presence of epigenetic modifiers.","Organic letters","2012","14","2","513","515","10.1021/ol203097b","","","1.54186","CuKα","","0.0248","0.0244","","","0.0643","0.0648","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503691","17.854","0.01","7.164","0.004","16.135","0.008","90","","107.171","0.013","90","","1971.8","1.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","","Chen, Jian-Jun; Li, Zheng-Ming; Gao, Kun; Chang, Jin; Yao, Xiao-Jun","Vladimuliecins A and B: cytotoxic pentacyclic pregnanols from Vladimiria muliensis.","Journal of natural products","2009","72","6","1128","1132","10.1021/np900120q","","","0.71073","MoKα","","0.0388","0.0352","","","0.1029","0.1092","","","","","","0.783","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503695","12.3341","0.001","7.3877","0.001","30.799","0.003","90","","97.604","0.002","90","","2781.7","0.5","294","2","294","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","","Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping","24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.","Journal of natural products","2009","72","8","1410","1413","10.1021/np900199x","","","0.71073","MoKα","","0.0428","0.0377","","","0.095","0.1047","","","","","","1.374","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503778","39.015","0.003","9.2033","0.0009","23.6697","0.0019","90","","101.259","0.006","90","","8335.4","1.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41.25 H50 O13.13 -","- C41.25 H50 O13.125 -","- C330 H400 O105 -","8","2","","Boone, Matthew A.; McDonald, Frank E.; Lichter, Joseph; Lutz, Stefan; Cao, Rui; Hardcastle, Kenneth I.","1,5-Alpha-D-mannoseptanosides, ring-size isomers that are impervious to alpha-mannosidase-catalyzed hydrolysis.","Organic letters","2009","11","4","851","854","10.1021/ol8028065","","","1.54178","CuKα","","0.1392","0.0935","","","0.2368","0.2752","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503879","19.68","0.002","6.923","0.003","15.753","0.002","90","","125.7","0.02","90","","1742.9","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H27 N O2 S2 -","- C15 H27 N O2 S2 -","- C60 H108 N4 O8 S8 -","4","1","","Checa, Begoña; Gálvez, Erik; Parelló, Ricard; Sau, Miriam; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè; Solans, Xavier","New approach to the stereoselective synthesis of tertiary methyl ethers.","Organic letters","2009","11","10","2193","2196","10.1021/ol9005135","","","0.71069","MoKα","","0.0476","0.0333","","","0.0761","0.0792","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503880","18.1731","0.0011","10.7733","0.0006","17.5878","0.001","90","","93.105","0.001","90","","3438.4","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","PdCl2(t-Bu-MiniPHOS)2","","","- C22 H52 Br2 P4 Pd2 -","- C22 H52 Br2 P4 Pd2 -","- C88 H208 Br8 P16 Pd8 -","4","1","","Ogura, Tomokazu; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo","Optically active dinuclear palladium complexes containing a Pd-Pd bond: preparation and enantioinduction ability in asymmetric ring-opening reactions.","Organic letters","2009","11","11","2245","2248","10.1021/ol900533h","","","0.71073","MoKα","","0.049","0.047","","","0.1557","0.1569","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503901","21.672","0.011","6.034","0.003","18.445","0.009","90","","111.168","0.008","90","","2249.3","1.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H25 Br O4 -","- C26 H25 Br O4 -","- C104 H100 Br4 O16 -","4","1","","Nair, Vijay; Babu, Beneesh P.; Vellalath, Sreekumar; Varghese, Vimal; Raveendran, Anabha E.; Suresh, Eringathodi","Nucleophilic heterocyclic carbene catalyzed annulation of enals to chalcones in methanol: a stereoselective synthesis of highly functionalized cyclopentanes.","Organic letters","2009","11","12","2507","2510","10.1021/ol900571x","","","0.71073","MoKα","","0.1355","0.0784","","","0.1463","0.1653","","","","","","1.036","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1503961","25.1341","0.0012","9.5269","0.0005","16.8986","0.0008","90","","128.434","0.001","90","","3169.6","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>(E)</i> Ethyl-3-(2'-tertbutyl-3'-ethoxycarbonyl-2'-(1"",1""-bistrimethylsilyl-2"",2"",2""- trimethyldisilanyl)cyclop-1'-yl)-prop-2-enoate","","- C24 H50 O5 Si4 -","- C24 H50 O5 Si4 -","- C96 H200 O20 Si16 -","4","1","","Bower, Justin; Box, Matthew R.; Czyzewski, Michal; Goeta, Andres E.; Steel, Patrick G.","Acyl polysilanes: new acyl anion equivalents for additions to electron-deficient alkenes.","Organic letters","2009","11","13","2744","2747","10.1021/ol900813z","","","0.71073","MoKα","","0.0556","0.052","","","0.1593","0.1635","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504084","23.342","0.004","5.7712","0.0009","17.317","0.003","90","","130.887","0.005","90","","1763.6","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","","Duguet, Nicolas; Slawin, Alexandra M. Z.; Smith, Andrew D.","An asymmetric hetero-claisen approach to 3-alkyl-3-aryloxindoles.","Organic letters","2009","11","17","3858","3861","10.1021/ol901441t","","","1.54178","CuKα","","0.1281","0.1038","","","0.1462","0.1543","","","","","","1.255","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504096","26.323","0.002","6.1374","0.0006","13.3377","0.0011","90","","96.461","0.005","90","","2141.1","0.3","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","","Chin, Yen-Jin; Wang, Shun-Yi; Loh, Teck-Peng","Synthesis of iriomoteolide-1a C13-C23 fragment via asymmetric conjugate addition and Julia-Kocienski coupling reaction.","Organic letters","2009","11","16","3674","3676","10.1021/ol901480s","","","0.71073","MoKα","","0.0506","0.0379","","","0.1009","0.1146","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504185","18.1933","0.0005","7.711","0.0002","12.4502","0.0003","90","","129.39","0.001","90","","1349.87","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","C 1 2 1","C 2y","5","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0334","0.0325","","","0.0812","0.0819","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504187","18.1525","0.0004","7.6684","0.0002","12.0226","0.0002","90","","101.178","0.001","90","","1641.81","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","C 1 2 1","C 2y","5","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0471","0.0463","","","0.117","0.1179","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504215","27.8634","0.0011","7.012","0.0002","18.3625","0.0007","90","","129.332","0.002","90","","2774.98","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","NIS170C5","","","- C27 H40 O7 Si -","- C27 H40 O7 Si -","- C108 H160 O28 Si4 -","4","1","","Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.","A synthesis of the carbon skeleton of maoecrystal V.","Organic letters","2009","11","21","4774","4776","10.1021/ol901963v","","","1.54178","CuKα","","0.071","0.0673","","","0.1837","0.1883","","","","","","1.052","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504217","30.4299","0.0006","7.0493","0.0002","19.6268","0.0003","90","","111.309","0.001","90","","3922.31","0.15","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","NIS-191","","","- C21 H27 O7 -","- C21 H27 O7 -","- C168 H216 O56 -","8","2","","Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.","A synthesis of the carbon skeleton of maoecrystal V.","Organic letters","2009","11","21","4774","4776","10.1021/ol901963v","","","1.54178","CuKα","","0.0856","0.0626","","","0.13","0.1437","","","","","","1.054","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504264","17.9311","0.0007","10.112","0.0004","22.4591","0.0008","90","","101.184","0.002","90","","3994.9","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C168 H160 Br8 N8 O32 -","8","2","","Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation.","Organic letters","2009","11","22","5246","5249","10.1021/ol9021832","","","0.71073","MoKα","","0.0536","0.0379","","","0.0925","0.1001","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504341","19.155","0.007","5.871","0.002","19.432","0.006","90","","96.031","0.006","90","","2173.2","1.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H34 N2 O3 -","- C21 H34 N2 O3 -","- C84 H136 N8 O12 -","4","1","","Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Surowy, Carol S.; Honore, Prisca; Marsh, Kennan C.; Hannick, Steven M.; McDonald, Heath A.; Wetter, Jill M.; Sullivan, James P.; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung","Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management.","Journal of medicinal chemistry","2008","51","3","392","395","10.1021/jm701007g","","","0.71073","MoKα","","0.1362","0.0775","","","0.1789","0.2617","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504444","32.341","0.014","8.429","0.003","12.051","0.005","90","","95.82","0.03","90","","3268","2","294","2","294","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C33.5 H54 O7 -","- C33.5 H54 O7 -","- C134 H216 O28 -","4","1","","Chen, Jian-Jun; Fei, Dong-Qing; Chen, Sheng-Gao; Gao, Kun","Antimicrobial triterpenoids from Vladimiria muliensis.","Journal of natural products","2008","71","4","547","550","10.1021/np070483l","","","0.71073","MoKα","","0.0947","0.06","","","0.1496","0.1727","","","","","","1.047","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504471","13.2953","0.0018","9.3972","0.0013","15.81","0.002","90","","110.029","0.002","90","","1855.8","0.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","06039","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Burns, Aaron C.; Forsyth, Craig J.","Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A.","Organic letters","2008","10","1","97","100","10.1021/ol7024058","","","0.71073","MoKα","","0.0484","0.0436","","","0.1186","0.1256","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504628","36.7236","0.0013","7.3663","0.0004","25.1062","0.0009","90","","105.935","0.002","90","","6530.7","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H54 O5 Si2 -","- C28 H54 O5 Si2 -","- C224 H432 O40 Si16 -","8","2","","Zhan, Weiqiang; Jiang, Yi; Brodie, Peggy J.; Kingston, David G. I.; Liotta, Dennis C.; Snyder, James P.","Design and synthesis of C6-C8 bridged epothilone A.","Organic letters","2008","10","8","1565","1568","10.1021/ol800422q","","","1.54178","CuKα","","0.1341","0.0745","","","0.1975","0.2331","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504641","20.512","0.0001","5.5194","0.0001","14.7817","0.0001","90","","108.377","0.001","90","","1588.15","0.03","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H23 N O S -","- C17 H23 N O S -","- C68 H92 N4 O4 S4 -","4","1","","Maji, Modhu Sudan; Fröhlich, Roland; Studer, Armido","Desymmetrization of metallated cyclohexadienes with chiral N-tert-butanesulfinyl imines.","Organic letters","2008","10","9","1847","1850","10.1021/ol800478q","","","1.54178","CuKα","","0.0453","0.0421","","","0.1121","0.1164","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504733","32.6745","0.0006","6.89073","0.00012","18.7222","0.0003","90","","93.278","0.001","90","","4208.43","0.13","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","2,4-dinitro phenyl hydorazone of (+)-2-(3-Bromopropyl)- 1-methoxyoxalylcyclopropanecarboxylic acid methyl ester","","- C17.25 H20 Br N4 O8.25 -","- C17.25 H19 Br N4 O8.25 -","- C138 H152 Br8 N32 O66 -","8","2","","Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Rhodium-catalyzed highly enantio- and diastereoselective cotrimerization of alkenes and dialkyl acetylenedicarboxylates leading to furylcyclopropanes.","Organic letters","2008","10","13","2825","2828","10.1021/ol800966f","","","1.54187","CuKα","","0.0399","0.0335","","","0.095","0.0997","","","","","","1.07","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504737","29.003","0.003","8.7758","0.0007","13.4454","0.0011","90","","94.309","0.003","90","","3412.5","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H9.6 Cl4 O4 -","- C10 H9.6 Cl4 O4 -","- C100 H96 Cl40 O40 -","10","2.5","","Khan, Faiz Ahmed; Sudheer, Ch","A chiral pool approach to the synthesis of optically active tetrahalo norbornyl building blocks.","Organic letters","2008","10","14","3029","3032","10.1021/ol800990m","","","0.71073","MoKα","","0.0984","0.0682","","","0.1296","0.1762","","","","","","1.084","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504745","17.2078","0.0003","11.5303","0.0002","12.0049","0.0002","90","","102.513","0.001","90","","2325.33","0.07","193","","193","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C43 H54 Br2 N2 O11 P2 S2 -","- C43 H54 Br2 N2 O11 P2 S2 -","- C86 H108 Br4 N4 O22 P4 S4 -","2","0.5","","Nishida, Goushi; Ogaki, Shuichiro; Yusa, Yukinori; Yokozawa, Tohru; Noguchi, Keiichi; Tanaka, Ken","Practical enantioselective synthesis of axially chiral biaryl diphosphonates and dicarboxylates by cationic rhodium(I)/Segphos-catalyzed double [2 + 2 + 2] cycloaddition.","Organic letters","2008","10","13","2849","2852","10.1021/ol801013v","","","1.54187","CuKα","","0.05","0.0482","","","0.1386","0.1414","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504792","21.235","0.017","8.271","0.007","13.904","0.011","90","","92.777","0.011","90","","2439","3","173.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C104 H108 Br4 O16 -","4","1","","Yamashita, Shuji; Iso, Kentaro; Hirama, Masahiro","A concise synthesis of the pentacyclic framework of cortistatins.","Organic letters","2008","10","16","3413","3415","10.1021/ol8012099","","","0.7107","MoKα","","","0.0687","","","","0.1967","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504875","20.1825","0.0006","8.7994","0.0002","7.8934","0.0002","90","","104.758","0.0016","90","","1355.57","0.06","200","","200","","","","","","","","local","3","C 1 2 1","C 2y","5","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0319","0.0287","","0.037","0.0355","0.0355","","","","","","1.1272","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504884","18.507","0.001","7.3736","0.0009","10.893","0.001","90","","90.553","0.006","90","","1486.4","0.2","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 Cl2 O -","- C15 H18 Cl2 O -","- C60 H72 Cl8 O4 -","4","1","","Darses, Benjamin; Milet, Anne; Philouze, Christian; Greene, Andrew E.; Poisson, Jean-François","Ynol ethers from dichloroenol ethers: mechanistic elucidation through 35Cl labeling.","Organic letters","2008","10","20","4445","4447","10.1021/ol801704u","","","0.71073","MoKα","","0.0412","0.0412","","0.0632","","0.0632","","","1.957","","","1.957","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504901","22.3552","0.0004","6.7979","0.0002","11.9364","0.0003","90","","117.424","0.002","90","","1610.11","0.07","180","2","180","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0578","0.0438","","","0.0954","0.1034","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505283","23.8","0.01","6.428","0.003","15.69","0.008","90","","121.35","0.02","90","","2049.9","1.7","93.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H26 N2 O7 -","- C22 H26 N2 O7 -","- C88 H104 N8 O28 -","4","1","","Watanabe, Hideaki; Takano, Masashi; Umino, Akinori; Ito, Toshiya; Ishikawa, Hiroyuki; Nakada, Masahisa","Enantioselective total synthesis of (-)-erinacine B.","Organic letters","2007","9","2","359","362","10.1021/ol0628816","","","0.7107","MoKα","","","0.032","","","","0.089","","","","","","0.994","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505326","17.216","0.006","11.078","0.006","16.173","0.007","90","0.04","108.63","0.04","90","0.04","2923","2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C33 H36 O8 -","- C33 H36 O8 -","- C132 H144 O32 -","4","1","","Yang, Sheng-Ping; Gao, Zhao-Bing; Wang, Fang-Dao; Liao, Shang-Gao; Chen, Hua-Dong; Zhang, Chuan-Rui; Hu, Guo-Yuan; Yue, Jian-Min","Chlorahololides A and B, two potent and selective blockers of the potassium channel isolated from Chloranthus holostegius.","Organic letters","2007","9","5","903","906","10.1021/ol0700759","","","0.71073","MoKα","","0.0761","0.0366","","","0.0893","0.1039","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505336","21.612","0.002","5.5038","0.0006","11.8718","0.0012","90","","121.939","0.006","90","","1198.3","0.2","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H24 Cl2 N2 O2 -","- C31 H24 Cl2 N2 O2 -","- C62 H48 Cl4 N4 O4 -","2","0.5","","Wada, Azusa; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Enantioselective synthesis of C2 -symmetric spirobipyridine ligands through cationic Rh(I)/modified-BINAP- catalyzed double [2 + 2 + 2] cycloaddition.","Organic letters","2007","9","7","1295","1298","10.1021/ol070129e","","","1.54187","CuKα","","0.0321","0.0306","","","0.0787","0.0803","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505343","13.042","0.009","13.746","0.009","7.51","0.006","90","","90.74","0.05","90","","1346.2","1.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","SIMEON061","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Chanu, Angéline; Safir, Imad; Basak, Ramkrishna; Chiaroni, Angèle; Arseniyadis, Siméon","Enantioselective total synthesis of 1-epi-pathylactone A.","Organic letters","2007","9","7","1351","1354","10.1021/ol070207y","","","0.71073","MoKα","","0.0739","0.0623","","","0.1719","0.186","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505432","26.729","0.003","6.1676","0.0008","11.6348","0.0014","90","","114.247","0.004","90","","1748.8","0.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","x-ray","0.71073","MoKα","","0.0583","0.0428","","","0.0998","0.1075","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505501","19.778","0.012","8.141","0.005","12.696","0.008","90","","109","0.03","90","","1933","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Iodo-Compound","Myrionine hydroiodide, compound 10","","- C15 H27 I2 N2 O -","- C15 H27 I2 N2 O -","- C60 H108 I8 N8 O4 -","4","1","","Pham, Van Cuong; Jossang, Akino; Chiaroni, Angèle; Sévenet, Thierry; Nguyen, Van Hung; Bodo, Bernard","Solution and crystal conformations of myrionine, a new 8beta-alkyl-cis-decahydroquinoline of Myrioneuron nutans.","Organic letters","2007","9","18","3531","3534","10.1021/ol071393a","","","0.71073","MoKα","","0.0539","0.0406","","","0.0867","0.0934","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505506","35.16","0.003","6.0221","0.0005","11.589","0.001","90","","106.518","0.001","90","","2352.6","0.3","208","2","208","2","","","","","","","","4","C 1 2 1","C 2y","5","KOB07","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C104 H116 N4 O20 -","4","1","","Gilley, Cynthia B.; Buller, Matthew J.; Kobayashi, Yoshihisa","New entry to convertible isocyanides for the Ugi reaction and its application to the stereocontrolled formal total synthesis of the proteasome inhibitor omuralide.","Organic letters","2007","9","18","3631","3634","10.1021/ol701446y","","","0.71073","MoKα","","0.0485","0.0419","","","0.1105","0.1148","","","","","","1.041","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1505545","20.682","0.004","5.9165","0.001","11.67","0.002","90","","115.333","0.002","90","","1290.7","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","07112a","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C52 H56 Br4 N4 O12 -","4","1","","Ko, Changhong; Hsung, Richard P.; Al-Rashid, Ziyad F; Feltenberger, John B.; Lu, Ting; Yang, Jin-Haek; Wei, Yonggang; Zificsak, Craig A.","A stereoselective intramolecular halo-etherification of chiral enamides in the synthesis of halogenated cyclic ethers.","Organic letters","2007","9","22","4459","4462","10.1021/ol701768n","","","0.71073","MoKα","","0.0455","0.0352","","","0.0791","0.083","","","","","","0.977","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505580","23.563","0.001","8.728","0.001","19.397","0.001","90","","90.48","0.01","90","","3989","0.5","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C80 H134 N4 O13 -","- C80 H134 N4 O13 -","- C160 H268 N8 O26 -","2","0.5","","Zhang, Yu-Mei; Tan, Ning-Hua; Lu, Yang; Chang, Ying; Jia, Rui-Rui","Chamobtusin A, a novel skeleton diterpenoid alkaloid from Chamaecyparis obtusa cv. tetragon.","Organic letters","2007","9","22","4579","4581","10.1021/ol702087h","","","0.71073","MoKα","","0.0612","0.0543","","","0.1449","0.1523","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505612","27.301","0.008","9.969","0.003","18.683","0.005","90","","104.455","0.004","90","","4924","2","100","0.1","100","0.1","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","(S)-MPA thioester of 1-thio-beta-D-glucose tetraacetate","","- C23 H28 O11 S -","- C23 H28 O11 S -","- C184 H224 O88 S8 -","8","2","","Porto, Silvia; Seco, José Manuel; Ortiz, Aurelio; Quiñoá, Emilio; Riguera, Ricardo","Chiral thiols: the assignment of their absolute configuration by 1H NMR.","Organic letters","2007","9","24","5015","5018","10.1021/ol7022196","","x-ray","0.71073","MoKα","","0.0717","0.0512","","","0.1236","0.1342","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505621","10.392","0.002","6.462","0.002","13.048","0.002","90","","94.84","0.02","90","","873.1","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","5,5'-di-tert-butyl-2,2'-bis-p-benzoquinone","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","","Hayashi, Naoto; Yoshikawa, Takahiro; Ohnuma, Takahiro; Higuchi, Hiroyuki; Sako, Katsuya; Uekusa, Hidehiro","Synthesis, structure, and properties of benzoquinone dimer and trimers bearing t-Bu substituents.","Organic letters","2007","9","26","5417","5420","10.1021/ol702289u","","","0.71069","MoKα","","0.0513","0.0448","","","0.1268","0.1411","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505802","24.2636","0.0009","8.0884","0.0005","9.3582","0.0006","90","","104.802","0.004","90","","1775.63","0.17","183","2","183","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Hölscher, Dirk; Reichert, Matthias; Görls, Hilmar; Ohlenschläger, Oliver; Bringmann, Gerhard; Schneider, Bernd","Monolaterol, the first configurationally assigned phenylphenalenone derivative with a stereogenic center at C-9, from Monochoria elata.","Journal of natural products","2006","69","11","1614","1617","10.1021/np060192x","","","0.71073","MoKα","","0.0765","0.0495","","","0.1003","0.1136","","","","","","1.011","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1505844","23.7316","0.0016","6.1829","0.0004","15.0644","0.0011","90","","103.579","0.002","90","","2148.6","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H11 Br O -","- C6 H11 Br O -","- C72 H132 Br12 O12 -","12","3","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0463","0.0307","","","0.0636","0.0692","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505865","25.89","0.005","9.1958","0.0018","11.305","0.002","90","","97.94","0.03","90","","2665.7","0.9","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,R)-cis-endo-1,3-Di((1-phenylethylamino)carbonyl) bicyclo[1.1.1]pentane-2,4-dicarboxylic acid","","- C30 H31 N2 O6 -","- C30 H31 N2 O6 -","- C120 H124 N8 O24 -","4","1","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0925","0.0386","","","0.0495","0.0616","","","","","","0.604","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505904","27.172","0.005","8.5342","0.0016","23.688","0.004","90","","121.809","0.003","90","","4668","1.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","deoxycholate anion receptor2","","","- C43 H60 Br2 N4 O7.5 -","- C43 H60 Br2 N4 O7.5 -","- C172 H240 Br8 N16 O30 -","4","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.1259","0.0609","","","0.1571","0.1904","","","","","","0.917","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1505906","18.443","0.008","8.521","0.003","27.694","0.012","90","","105.917","0.007","90","","4185","3","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C176 H152 Br8 N16 O16 S8 -","8","2","","Jia, Yi-Xia; Xie, Jian-Hua; Duan, Hai-Feng; Wang, Li-Xin; Zhou, Qi-Lin","Asymmetric Friedel-Crafts addition of indoles to N-sulfonyl aldimines: a simple approach to optically active 3-indolyl-methanamine derivatives.","Organic letters","2006","8","8","1621","1624","10.1021/ol0602001","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505984","18.451","0.003","8.185","0.001","13.7757","0.0017","90","","101.249","0.004","90","","2040.5","0.5","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O -","- C27 H29 N O -","- C108 H116 N4 O4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0346","0.0313","","","0.0708","0.0724","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506054","13.85","0.004","6.406","0.002","13.724","0.004","90","","120.28","0.003","90","","1051.5","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H38 N2 O -","- C23 H38 N2 O -","- C46 H76 N4 O2 -","2","0.5","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.0451","0.042","","","0.1098","0.1123","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506064","24.254","0.005","6.6426","0.0012","17.061","0.003","90","","125.009","0.008","90","","2251.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C23.5 H31 Cl N2 O1.5 -","- C23.5 H31 Cl N2 O1.5 -","- C94 H124 Cl4 N8 O6 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.1464","0.0934","","","0.2344","0.2786","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506084","25.555","0.003","7.2399","0.0009","15.3012","0.0018","90","","122.954","0.002","90","","2375.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C100 H136 N8 O20 S4 -","4","1","","Garner, Philip; Kaniskan, H. Umit; Hu, Jieyu; Youngs, Wiley J.; Panzner, Matthew","Asymmetric multicomponent [C+NC+CC] synthesis of highly functionalized pyrrolidines catalyzed by silver(I).","Organic letters","2006","8","17","3647","3650","10.1021/ol061113b","","","0.71073","MoKα","","0.0514","0.0457","","","0.1105","0.1133","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506137","30.159","0.005","8.8874","0.0014","20.568","0.003","90","","124.276","0.003","90","","4555.5","1.2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C200 H184 N24 O40 -","8","2","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.109","0.0528","","","0.0578","0.0697","","","","","","0.824","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506139","12.0635","0.0006","9.7402","0.0006","25.188","0.002","90","","98.39","0.003","90","","2927.9","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.71073","MoKα","","0.1934","0.1119","","","0.1899","0.2003","","","","","","2.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506314","29.6799","0.0003","6.1328","","16.0196","0.0003","90","","96.368","0.002","90","","2897.91","0.06","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H34 Cl N3 O6 -","- C30 H34 Cl N3 O6 -","- C120 H136 Cl4 N12 O24 -","4","1","","Mizoguchi, Jun-ichi; Kawanami, Yuko; Wada, Takehiko; Kodama, Kazuya; Anzai, Kinsei; Yanagi, Toshiharu; Inoue, Yoshihisa","Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid using a chiral N-(2-hydroxymethyl-4- pyrrolidinyl)benzamide template.","Organic letters","2006","8","26","6051","6054","10.1021/ol062501g","","","0.71069","MoKα","","","0.0559","","","","0.1129","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506539","20.556","0.0008","5.32","0.0003","15.025","0.0007","90","","95.915","0.002","90","","1634.35","0.14","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","compound 15","(3R,4S)-3-{(R)-Hydroxy-[(6S,10R)-10-hydroxymethyl- 1,4-dioxa-8-thiaspiro[4.5]dec-6-yl]methyl}- tetrahydro-2H-thiopyran-4-ol","","- C14 H26 O6 S2 -","- C14 H26 O6 S2 -","- C56 H104 O24 S8 -","4","1","","Ward, Dale E.; Jheengut, Vishal; Akinnusi, Olukayode T.","Enantioselective direct intermolecular aldol reactions with enantiotopic group selectivity and dynamic kinetic resolution.","Organic letters","2005","7","6","1181","1184","10.1021/ol050195l","","","0.71073","MoKα","","0.0552","0.0436","","","0.0854","0.091","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506620","16.412","0.001","5.944","0.001","14.762","0.001","90","","95.14","0.01","90","","1434.3","0.3","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H23 N O -","- C15 H23 N O -","- C60 H92 N4 O4 -","4","1","","Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.","Organic letters","2005","7","15","3267","3270","10.1021/ol051090l","","","1.54178","CuKα","","0.0493","0.0453","","","0.1278","0.1315","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506720","16.5687","0.0013","5.235","0.0004","16.4498","0.0013","90","","92.787","0.001","90","","1425.12","0.19","292","2","292","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Br N O4 -","- C13 H14 Br N O4 -","- C52 H56 Br4 N4 O16 -","4","1","","Wang, Jian; Li, Hao; Duan, Wenhu; Zu, Liansuo; Wang, Wei","Organocatalytic asymmetric Michael addition of 2,4-pentandione to nitroolefins.","Organic letters","2005","7","21","4713","4716","10.1021/ol0519137","","","0.71073","MoKα","","0.0546","0.0354","","","0.0818","0.0944","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506725","36.529","0.003","11.7506","0.0009","26.095","0.002","90","","133.184","0.002","90","","8167.3","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H24 O2 Sn -","- C23 H23.5 O2 Sn -","- C368 H376 O32 Sn16 -","16","4","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0317","0.0309","","","0.0735","0.0741","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506922","14.7787","0.0008","11.8125","0.001","8.9824","0.0005","90","","116.602","0.005","90","","1402.09","0.17","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","2,3-benzo-7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane hydrochloride","","- C15 H18 Cl F2 N O -","- C15 H18 Cl F2 N O -","- C60 H72 Cl4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0318","0.0293","","","0.0757","0.0776","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506943","34.174","0.0017","6.545","0.0003","8.939","0.0006","90","","103.211","0.002","90","","1946.46","0.19","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 N O6 V -","- C18 H22 N O6 V -","- C72 H88 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.1029","0.0742","","","0.1643","0.1972","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506957","24.287","0.025","5.089","0.007","26.519","0.028","90","","103.94","0.01","90","","3181","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H41 N3 O8 -","- C30 H41 N3 O8 -","- C120 H164 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.0909","0.068","","0.1924","0.1703","","","","1.166","1.215","1.215","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506958","24.3","0.029","5.062","0.006","25.97","0.026","90","","102.882","0.01","90","","3114","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H39 N3 O8 -","- C29 H39 N3 O8 -","- C116 H156 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.113","0.0776","","0.1839","0.1603","","","","1.185","1.272","1.272","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506962","14.0471","0.0006","7.9277","0.0003","11.5877","0.0005","90","","102.849","0.001","90","","1258.11","0.09","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H18 O3 S2 -","- C11 H18 O3 S2 -","- C44 H72 O12 S8 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0221","0.0218","","","0.0579","0.0583","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506996","28.551","0.009","5.731","0.002","12.165","0.003","90","","107.15","0.02","90","","1902","1","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H40 Cl2 Rh2 -","- C42 H40 Cl2 Rh2 -","- C84 H80 Cl4 Rh4 -","2","0.5","","Shintani, Ryo; Ueyama, Kazuhito; Yamada, Ichiro; Hayashi, Tamio","Chiral norbornadienes as efficient ligands for the rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds.","Organic letters","2004","6","19","3425","3427","10.1021/ol048421z","","","0.7107","MoKα","","","0.038","","","","0.063","","","","","","0.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507025","27.6","0.03","9.129","0.008","15.39","0.01","90","","94.647","0.013","90","","3865","6","113.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H27 F6 N3 P S3 -","- C42 H27 F6 N3 P S3 -","- C168 H108 F24 N12 P4 S12 -","4","1","","Okamoto, Toshihiro; Kuratsu, Masato; Kozaki, Masatoshi; Hirotsu, Ken; Ichimura, Akio; Matsushita, Toshio; Okada, Keiji","Remarkable structure deformation in phenothiazine trimer radical cation.","Organic letters","2004","6","20","3493","3496","10.1021/ol048698z","","","0.7107","MoKα","","","0.087","","","","0.234","","","","","","0.934","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507064","10.733","0.001","6.3666","0.0005","24.617","0.002","90","","94.813","0.003","90","","1676.2","0.2","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O3 Si -","- C15 H23 N O3 Si -","- C60 H92 N4 O12 Si4 -","4","1","","Suga, Seiji; Kageyama, Yasuhisa; Babu, Govindarajulu; Itami, Kenichiro; Yoshida, Jun-ichi","Cationic carbohydroxylation of alkenes and alkynes using the cation pool method.","Organic letters","2004","6","16","2709","2711","10.1021/ol049049q","","","0.7107","MoKα","","","0.046","","","","0.016","","","","","","9.488","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507194","18.037","0.006","7.825","0.005","13.631","0.01","90","","98.78","0.02","90","","1901","2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(2R,5aR,9aS)-9a-((R)-(3,5-dimethylphenyl)(methoxymethoxy)methyl)-2,6,7,8,9,9a- hexahydro-1H-2,5a-epoxybenzo[d]oxepine","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.7107","MoKα","","0.0665","0.044","","","0.1057","0.1194","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507325","18.327","0.006","5.478","0.0018","13.272","0.004","90","","127.937","0.005","90","","1050.9","0.6","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0525","0.0417","","","0.1041","0.1102","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507371","16.4478","0.0008","6.2864","0.0003","16.1368","0.0008","90","","95.529","0.002","90","","1660.74","0.14","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H25 N O4 Si -","- C14 H25 N O4 Si -","- C56 H100 N4 O16 Si4 -","4","1","","Alonso-Cruz, Carmen R; Kennedy, Alan R.; Rodríguez, María S; Suárez, Ernesto","Fragmentation of carbohydrate anomeric alkoxyl radicals. A new synthesis of chiral beta-iodo azides, vinyl azides, and 2H-azirines.","Organic letters","2003","5","20","3729","3732","10.1021/ol035435g","","","0.71073","MoKα","","0.0614","0.0413","","","0.0734","0.0798","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507394","15.814","0.003","10.55","0.002","10.919","0.002","90","","128.76","0.03","90","","1420.5","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H16 O5 S -","- C14 H16 O5 S -","- C56 H64 O20 S4 -","4","1","","Díez, David; Benéitez, M Templo; Marcos, Isidro S.; Garrido, N. M.; Basabe, P.; Sanz, F.; Broughton, Howard B.; Urones, Julio G.","Chemistry of epoxysulfones: straightforward synthesis of versatile chiral building blocks.","Organic letters","2003","5","23","4361","4364","10.1021/ol035701q","","","1.5418","CuKα","","0.0797","0.0649","","0.1971","0.1657","","","","1.088","0.983","0.983","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507489","28.625","0.003","6.7023","0.0006","17.446","0.002","90","","121.459","0.003","90","","2855.1","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H35 N O12 -","- C30 H35 N O12 -","- C120 H140 N4 O48 -","4","1","","Yang, Zhixiang; Shannon, Dean; Truong, Vouy-Linh; Deslongchamps, Pierre","Studies directed toward asymmetric synthesis of cardioactive steroids via anionic polycyclization.","Organic letters","2002","4","26","4693","4696","10.1021/ol027125o","","","0.71073","MoKα","","0.0359","0.0309","","","0.0769","0.08","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507547","18.672","0.0013","9.6069","0.0007","6.5761","0.0005","90","","97.519","0.001","90","","1169.48","0.15","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C40 H56 N8 O24 -","8","2","","Cheng, Jianjun; Ziller, Joseph W.; Deming, Timothy J.","Synthesis of Optically Active β-Amino AcidN-Carboxyanhydrides","Organic Letters","2000","2","13","1943","","10.1021/ol000122w","","","0.71073","MoKα","","0.0343","0.0328","","","0.088","0.0891","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507599","20.7827","0.0018","11.5084","0.001","11.8588","0.0007","90","","98.727","0.002","90","","2803.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","2","","Prakash, Muthuraj; Kesavan, Venkitasamy","Highly Enantioselective Synthesis of 2,3-Dihydroquinazolinones through Intramolecular Amidation of Imines.","Organic letters","2012","14","7","1896","1899","10.1021/ol300518m","","","0.71073","MoKα","","0.0668","0.0552","","","0.1539","0.166","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507662","30.173","0.004","6.7184","0.0006","18.895","0.002","90","","108.475","0.014","90","","3632.9","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","Macralstonine","","","- C43 H52 N4 O5 -","- C43 H52 N4 O5 -","- C172 H208 N16 O20 -","4","1","","Lim, Siew-Huah; Low, Yun-Yee; Tan, Shin-Jowl; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Perhentidines a-C: macroline-macroline bisindoles from alstonia and the absolute configuration of perhentinine and macralstonine.","Journal of natural products","2012","75","5","942","950","10.1021/np300120p","","","1.54184","CuKα","","0.0947","0.072","","","0.1869","0.2054","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507699","27.921","0.004","7.0957","0.001","8.9295","0.0013","90","","108.305","0.004","90","","1679.6","0.4","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H20 Br N O2 -","- C19 H20 Br N O2 -","- C76 H80 Br4 N4 O8 -","4","1","","Xu, Qing-Long; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of tetrahydroisoquinolines via iridium-catalyzed intramolecular Friedel-Crafts-type allylic alkylation of phenols.","Organic letters","2012","14","10","2579","2581","10.1021/ol3008793","","","0.71073","MoKα","","0.0479","0.0324","","","0.0637","0.0781","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507893","14.8671","0.0005","11.2207","0.0004","12.8259","0.0005","90","","111.942","0.002","90","","1984.62","0.13","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","1","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0647","0.0538","","","0.127","0.1388","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508014","15.591","0.003","9.1815","0.0018","12.575","0.003","90","","114.26","0.03","90","","1641.1","0.7","293","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Cs2 Ga2 S7 Sb2 -","- Cs2 Ga2 S7 Sb2.004 -","- Cs8 Ga8 S28 Sb8.016 -","4","1","","Ding, Nan; Kanatzidis, Mercouri G.","Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.","Nature chemistry","2010","2","3","187","191","10.1038/nchem.519","","","0.71073","MoKα","","0.1429","0.1089","","","0.2671","0.2956","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508146","26.465","0.0005","13.3084","0.0002","20.9193","0.0004","90","","116.126","0.0007","90","","6615.1","0.2","200","","200","","","","","","","","","4","C 1 2 1","C 2y","5","OP8NO2","","","- C71 H74.5 N5.5 O20 -","- C71 H74.5 N5.5 O20 -","- C284 H298 N22 O80 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","1.54187","CuKα","","0.0653","0.0486","","","0.124","0.1424","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508152","28.6387","0.0012","14.9963","0.0008","19.6011","0.0007","90","","125.48","0.001","90","","6855.1","0.5","173.1","","173.1","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23.75 H44.5 Cl4.5 Mo N P2 -","- C23.7525 H43 Cl4.505 Mo N P2 -","- C190.02 H344 Cl36.04 Mo8 N8 P16 -","8","2","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0407","","","","0.095","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508253","13.6384","0.0005","7.1514","0.0003","19.5985","0.0008","90","","101.048","0.001","90","","1876.09","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H27 F2 N O5 -","- C18 H27 F2 N O5 -","- C72 H108 F8 N4 O20 -","4","1","","Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong","Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection.","Journal of medicinal chemistry","2012","55","13","6061","6075","10.1021/jm300171v","","","0.71073","MoKα","","0.0276","0.0263","","","0.0719","0.0729","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508307","38.5256","0.0008","5.8558","0.0001","17.9538","0.0004","90","","113.551","0.003","90","","3712.97","0.15","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C21 H18 O4 S2 -","- C21 H18 O4 S2 -","- C168 H144 O32 S16 -","8","2","","Orue, Ane; Reyes, Efraím; Vicario, Jose L.; Carrillo, Luisa; Uria, Uxue","Enantio- and diastereoselective synthesis of substituted tetrahydro-1H-isochromanes through a dynamic kinetic resolution proceeding under dienamine catalysis.","Organic letters","2012","14","14","3740","3743","10.1021/ol301602h","","x-ray","1.54184","CuKα","","0.0413","0.0393","","","0.0983","0.1003","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508312","28.605","0.0019","16.6826","0.0011","15.5685","0.001","90","","116.439","0.001","90","","6652.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34.5 H29 Cl3 N1.5 O6 -","- C34.5 H29 Cl3 N1.5 O6 -","- C276 H232 Cl24 N12 O48 -","8","2","","Zhong, Fangrui; Chen, Guo-Ying; Han, Xiaoyu; Yao, Weijun; Lu, Yixin","Asymmetric construction of functionalized bicyclic imides via [3 + 2] annulation of MBH carbonates catalyzed by dipeptide-based phosphines.","Organic letters","2012","14","14","3764","3767","10.1021/ol301647g","","","0.71073","MoKα","","0.0865","0.073","","","0.1901","0.2006","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508692","25.422","0.005","6.1383","0.0013","12.182","0.003","90","","98.781","0.005","90","","1878.7","0.7","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","0.71075","MoKα","","","0.0642","","","","0.1677","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508693","24.942","0.0005","6.13836","0.00011","12.4356","0.0003","90","","97.4055","0.0009","90","","1888.05","0.07","123","","123","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","1.54187","CuKα","","","0.0397","","","","0.1066","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508755","26.891","0.004","6.5139","0.0009","13.524","0.002","90","","117.976","0.007","90","","2092.1","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 Cl N O3 -","- C26 H22.02 Cl N O3.01 -","- C104 H88.08 Cl4 N4 O12.04 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0635","0.0441","","","0.1027","0.1092","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508759","20.5752","0.001","8.5637","0.0004","20.8927","0.001","90","","90.195","0.002","90","","3681.3","0.3","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","(-)-4-Butyl-6-(naphthalen-2-yloxy)-2-(toluene-4-sulfonyl)-2,3,5,7a- tetrahydro-1H-isoindole-5-carboxylic acid naphthalen-2-yl ester","","- C43 H44 N O5 S -","- C43 H44 N O5 S -","- C172 H176 N4 O20 S4 -","4","1","","Miyauchi, Yuta; Noguchi, Keiichi; Tanaka, Ken","Rhodium-catalyzed one-pot intermolecular [2 + 2 + 2] trimerization/asymmetric intramolecular [4 + 2] cycloaddition of two aryl ethynyl ethers and 5-alkynals.","Organic letters","2012","14","23","5856","5859","10.1021/ol3027158","","","1.54187","CuKα","","0.1165","0.0739","","","0.1901","0.2468","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508764","25.936","0.01","11.367","0.004","12.416","0.005","90","","112.285","0.005","90","","3387","2","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H45 N O7 Si -","- C34 H45 N O7 Si -","- C136 H180 N4 O28 Si4 -","4","1","","Harada, Masaya; Asaba, Ken Nunettsu; Iwai, Masumi; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric total synthesis of an iboga-type indole alkaloid, voacangalactone, newly isolated from Voacanga africana.","Organic letters","2012","14","22","5800","5803","10.1021/ol3027945","","","0.71073","MoKα","","0.3213","0.0879","","","0.1731","0.301","","","","","","0.904","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508864","21.033","0.003","9.9868","0.0013","10.2026","0.0013","90","","102.928","0.002","90","","2088.8","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou","One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the ""inside yohimbane"" system with five contiguous stereogenic centers.","Organic letters","2013","15","3","468","471","10.1021/ol3032329","","","0.71073","MoKα","","0.0539","0.0429","","","0.1125","0.1335","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508931","26.5331","0.0009","8.0048","0.0003","9.7571","0.0004","90","","97.575","0.002","90","","2054.25","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H13 Cl4 N2 O3 -","- C21 H13 Cl4 N2 O3 -","- C84 H52 Cl16 N8 O12 -","4","1","","Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.","Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.","Organic letters","2013","15","5","988","991","10.1021/ol303374e","","","1.54178","CuKα","","0.0377","0.0352","","","0.0872","0.0891","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509006","14.33","","14.308","","10.127","","90","","90.2","","90","","2076.36","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Silver gallium telluride (0.6/3/4.75) - HP","","- Ag0.6 Ga3 Te4.75 -","- Ag0.6045 Ga3 Te4.75 -","- Ag4.836 Ga24 Te38 -","8","2","","Zabel, M.; Panzer, P.; Range, K.J.","Hochdrucksynthese und Kristallstruktur von Ag2 Ga6 Te10","Journal of the Less-Common Metals","1985","106","","305","314","10.1016/0022-5088(85)90268-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509506","6.3399","","11.02","","6.9819","","90","","106.82","","90","","466.927","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ag V (P Se3)2","","- Ag P2 Se6 V -","- Ag P2 Se6 V -","- Ag2 P4 Se12 V2 -","2","0.5","","Brec, R.; Ouvrard, G.","Modification of the cationic ordering with respect to the chalcogen in the layered M M' P2 X6 phases. Synthesis and structure of two-dimensional Ag V P2 Se6","Materials Research Bulletin","1988","23","","1199","1209","10.1016/0025-5408(88)90212-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509759","16.76","","15.52","","11.81","","90","","103.9","","90","","2982","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ag26 I18 (W O4)4","","- Ag26 I18 O16 W4 -","- Ag26 I18 O16 W4 -","- Ag52 I36 O32 W8 -","2","0.5","","Chan, L.Y.Y.; Geller, S.","Crystal structure and conductivity of 26-silver 18-iodide tetratungstate, Ag26 I18 W4 O16","Journal of Solid State Chemistry","1977","21","","331","347","10.1016/0022-4596(77)90131-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510883","6.485","","9.165","","3.971","","90","","96.14","","90","","234.663","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ba Cu (B2 O5)","","- B2 Ba Cu O5 -","- B2 Ba Cu O5 -","- B4 Ba2 Cu2 O10 -","2","0.5","","Keszler, D.A.; Smith, R.W.","Synthesis, structure and properties of the noncentrosymmetric pyroborate Ba Cu B2 O5","Journal of Solid State Chemistry","1997","129","","184","188","10.1006/jssc.1996.7204","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511199","8.761","","6.081","","7.354","","90","","102.57","","90","","382.398","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","K2 Li B O3","","- B K2 Li O3 -","- B K2 Li O3 -","- B4 K8 Li4 O12 -","4","1","","Hoppe, R.; Miessen, M.","Neue Borate der Alkalimetalle:K2LiBo3","Physics and Chemistry of Minerals (Germany)","1985","22","","331","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511452","7.695","","4.446","","7.544","","90","","109.7","","90","","242.989","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs Be2 (B O3) F2","","- B Be2 Cs F2 O3 -","- B Be2 Cs F2 O3 -","- B2 Be4 Cs2 F4 O6 -","2","0.5","","Podberezskaya, N.V.; Bakakin, V.V.; Baydina, I.A.; Bacanova, L.P.; Pal'chik, N.A.; Solov'eva, L.P.","X-ray studies of the structure of beryllium borate-fluorides M Be2 (B O3) F2 where M=Na, K, Rb, Cs","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","1050","1053","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511455","7.718","","4.444","","6.79","","90","","112.8","","90","","214.692","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","K (Be2 (B O3) F2)","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B2 Be4 F4 K2 O6 -","2","0.5","","Bakakin, V.V.; Solov'eva, L.P.","Crystal structure of potassium boratofluoroberyllate, K Be2 (B O3) F2","Kristallografiya","1970","15","","922","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511456","12.643","","8.729","","7.591","","90","","113.6","","90","","767.681","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Na Be2 (B O3) F2","","- B Be2 F2 Na O3 -","- B Be2 F2 Na O3 -","- B8 Be16 F16 Na8 O24 -","8","2","","Chen, C.-T.; Mei, L.-F.; Wang, Y.-B.","Crystal structure of sodium beryllium borate fluoride","Materials Research Bulletin","1994","29","","81","87","10.1016/0025-5408(94)90108-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511457","7.695","","4.441","","7.087","","90","","111.2","","90","","225.797","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Rb Be2 (B O3) F2","","- B Be2 F2 O3 Rb -","- B Be2 F2 O3 Rb -","- B2 Be4 F4 O6 Rb2 -","2","0.5","","Podberezskaya, N.V.; Solov'eva, L.P.; Pal'chik, N.A.; Bakakin, V.V.; Baydina, I.A.; Bacanova, L.P.","X-ray studies of the structure of beryllium borate-fluorides M Be2 (B O3) F2 where M=Na,K,Rb,Cs","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","1050","1053","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511530","13.304","","4.068","","7.998","","90","","139.5","","90","","281.118","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Ca2 Os3 B5","","- B5 Ca2 Os3 -","- B5 Ca2 Os3 -","- B10 Ca4 Os6 -","2","0.5","","Schweitzer, K.; Jung, W.","Darstellung und Kristallstruktur der isotypen Verbindungen Ca2 Os3 B5 und Eu2 Os3 B5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","533","","30","36","10.1002/zaac.19865330205","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511542","13.26","","4.071","","8.001","","90","","138.4","","90","","286.753","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Eu2 Os3 B5","","- B5 Eu2 Os3 -","- B5 Eu2 Os3 -","- B10 Eu4 Os6 -","2","0.5","","Jung, W.; Schweitzer, K.","Darstellung und Kristallstruktur der isotypen Verbindungen Ca2 Os3 B5 und Eu2 Os3 B5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","533","","30","36","10.1002/zaac.19865330205","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511860","30.977","0.002","6.0722","0.0004","11.0436","0.0008","90","","91.291","0.001","90","","2076.8","0.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H17 Br N4 O4 S -","- C22 H17 Br N4 O4 S -","- C88 H68 Br4 N16 O16 S4 -","4","1","","Liu, Xiong-Li; Han, Wen-Yong; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereocontrolled construction of 3,3'-pyrrolidonyl spirooxindoles via organocatalytic domino Michael/cyclization reaction.","Organic letters","2013","15","6","1246","1249","10.1021/ol400183k","","","0.71073","MoKα","","0.0222","0.0209","","","0.0544","0.0547","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511918","17.187","0.002","7.3498","0.0009","23.976","0.003","90","","101.984","0.002","90","","2962.7","0.6","173","1","173","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H11 Cl O7 -","- C16 H11 Cl O7 -","- C128 H88 Cl8 O56 -","8","2","","Suzuki, Takahiro; Miyajima, Yuria; Suzuki, Kaname; Iwakiri, Kanako; Koshimizu, Masaki; Hirai, Go; Sodeoka, Mikiko; Kobayashi, Susumu","Unexpected Diels-Alder/Carbonyl-ene Cascade toward the Biomimetic Synthesis of Chloropupukeananin.","Organic letters","2013","15","7","1748","1751","10.1021/ol400549q","","","0.71073","MoKα","","0.0315","0.0279","","","0.0634","0.0656","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511922","23.483","0.0008","6.302","0.0002","13.176","0.0006","90","","105.776","0.0014","90","","1876.47","0.12","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H19 F3 N2 O4 S -","- C19 H19 F3 N2 O4 S -","- C76 H76 F12 N8 O16 S4 -","4","1","","Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan","Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.","Organic letters","2013","15","8","1922","1925","10.1021/ol400571j","","","0.71073","MoKα","","0.0836","0.0616","","","0.1551","0.1844","","","","","","1.127","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512053","26.4401","0.0018","22.3692","0.0009","18.4184","0.0014","90","","131.651","0.012","90","","8139.7","1.8","143","0.1","143","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H52 N4 O5 -","- C36 H52 N4 O5 -","- C288 H416 N32 O40 -","8","2","","Feng, Juhua; Fu, Xuan; Chen, Zhenling; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Efficient enantioselective synthesis of dihydropyrans using a chiral n,n'-dioxide as organocatalyst.","Organic letters","2013","15","11","2640","2643","10.1021/ol400894j","","","0.7107","MoKα","","0.1419","0.1136","","","0.3001","0.326","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512078","29.5357","0.0003","15.7962","0.0002","20.0056","0.0002","90","","96.313","0.001","90","","9277.05","0.18","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H43.5 O1.75 -","- C25 H42 O -","- C400 H672 O16 -","16","4","","Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang","Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242","Organic Letters","2013","15","10","2522","","10.1021/ol401005j","","","1.54178","CuKα","","0.0524","0.0489","","","0.1309","0.134","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512143","19.4525","0.0004","6.8143","0.0002","14.9925","0.0004","90","","90.914","0.001","90","","1987.08","0.09","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H31 N3 O5 -","- C17 H31 N3 O5 -","- C68 H124 N12 O20 -","4","1","","Cong, Hai-Jian; Zhang, Shu-Wei; Shen, Yu; Zheng, Yong; Huang, Yu-Jie; Wang, Wen-Qiong; Leng, Ying; Xuan, Li-Jiang","Guanidine Alkaloids from Plumbago zeylanica.","Journal of natural products","2013","76","7","1351","1357","10.1021/np400235s","","","1.54178","CuKα","","0.048","0.0446","","","0.1221","0.1261","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512269","44.5917","0.0012","9.6204","0.0002","37.0616","0.001","90","","122.453","0.002","90","","13416.1","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H36 N2 O5 -","- C27 H36 N2 O5 -","- C540 H720 N40 O100 -","20","5","","Silber, Johanna; Ohlendorf, Birgit; Labes, Antje; Näther, Christian; Imhoff, Johannes F.","Calcaripeptides a-C, cyclodepsipeptides from a calcarisporium strain.","Journal of natural products","2013","76","8","1461","1467","10.1021/np400262t","","","0.71073","MoKα","","0.0782","0.0521","","","0.1089","0.1205","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512326","18.664","0.002","8.2652","0.0009","12.1851","0.0013","90","","97.374","0.002","90","","1864.1","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0474","0.0384","","","0.0976","0.1043","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512439","31.9436","0.0016","8.2466","0.0004","11.1986","0.0006","90","","93.025","0.001","90","","2945.9","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H48 Ag3 F18 N8 O8 Sb3 -","- C48 H48 Ag3 F18 N8 O8 Sb3 -","- C96 H96 Ag6 F36 N16 O16 Sb6 -","2","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.0509","0.0488","","","0.1216","0.1238","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512563","27.139","0.005","8.776","0.0018","23.632","0.005","90","","123.81","0.03","90","","4677","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C200 H272 Cl8 N24 O8 -","8","2","","Jones, Brian T.; Hu, Dennis X.; Savoie, Brett M.; Thomson, Regan J.","Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis.","Journal of natural products","2013","76","10","1937","1945","10.1021/np400531b","","","0.71073","MoKα","","0.0807","0.057","","","0.1345","0.1529","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512589","23.9112","0.0012","6.492","0.0009","26.346","0.002","90","","95.462","0.006","90","","4071.2","0.7","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H51 N3 O12 Si2 -","- C35 H51 N3 O12 Si2 -","- C140 H204 N12 O48 Si8 -","4","1","","Pullin, Robert D. C.; Rathi, Akshat H.; Melikhova, Ekaterina Y.; Winter, Christian; Thompson, Amber L.; Donohoe, Timothy J.","Tethered Aminohydroxylation: Synthesis of the β-Amino Acid of Microsclerodermins A and B.","Organic letters","2013","15","21","5492","5495","10.1021/ol402638n","","","0.6889","synchrotron","","0.1155","0.0959","","0.2229","0.2043","0.2229","","","","","","1.0137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512739","19.09","0.003","16.624","0.003","11.3624","0.0016","90","","101.063","0.011","90","","3538.9","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","[(Me2salF4)Cu]","","","- C22 H20 Cu F4 N2 O2 -","- C22 H20 Cu F4 N2 O2 -","- C132 H120 Cu6 F24 N12 O12 -","6","1.5","","Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl","Redox chemistry of copper complexes with various salen type ligands","Inorganica Chimica Acta","2012","393","","237","246","","","","0.71073","MoKα","","0.1474","0.0477","","","0.1387","0.1588","","","","","","0.61","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512815","22.432","0.004","6.2562","0.0012","11.1","0.002","90","","99.851","0.003","90","","1534.8","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H20 Co N8 O12 -","- C28 H20 Co N8 O12 -","- C56 H40 Co2 N16 O24 -","2","0.5","","Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin","Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties","Inorganica Chimica Acta","2013","394","","715","722","10.1016/j.ica.2012.09.033","","","0.71073","MoKα","","0.0928","0.0688","","","0.1806","0.2012","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512973","13.452","0.002","17.648","0.003","7.421","0.0017","90","","108.58","0.005","90","","1669.9","0.5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H39 Cl Cu2 N4 O8 -","- C31 H39 Cl Cu2 N4 O8 -","- C62 H78 Cl2 Cu4 N8 O16 -","2","0.5","","Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh","Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand","Inorganica Chimica Acta","2013","396","","66","71","10.1016/j.ica.2012.10.003","","","0.71073","MoKα","","0.1128","0.0993","","","0.2918","0.3028","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513033","22.541","0.015","7.805","0.005","3.786","0.002","90","","92.533","0.019","90","","665.4","0.7","198","2","198","2","","","","","","","","5","C 1 2 1","C 2y","5","Ag(I)-complex of 3-pyridin aldehyde","","","- C12 H10 Ag N3 O5 -","- C12 H10 Ag N3 O5 -","- C24 H20 Ag2 N6 O10 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties","Polyhedron","2011","30","2","241","245","10.1016/j.poly.2010.10.008","","","0.71073","MoKα","","0.0772","0.0629","","","0.1348","0.1417","","","","","","0.869","","","","has coordinates","218750","2020-10-21","18:00:00",""
"1513045","18.1897","0.0017","6.5417","0.0008","13.9244","0.0017","90","","92.148","0.004","90","","1655.7","0.3","300","2","300","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Salts of aromatic amines: Crystal structures, spectroscopic and non-linear optical properties","Spectrochimica Acta Part A","2010","77","","849","","10.1016/j.saa.2010.08.017","","","0.71073","MoKα","","0.1015","0.0868","","","0.221","0.2313","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513072","19.2","0.014","5.508","0.003","17.452","0.014","90","","119.94","0.04","90","","1599","2","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H20 N2 O4.5 -","- C17 H20 N2 O4.5 -","- C68 H80 N8 O18 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Organic mandelates as promising materials with non-linear optical application","Structural Chemistry","2010","21","","989","","10.1007/s11224-010-9635-5","","","0.71073","MoKα","","0.1213","0.0763","","","0.1656","0.1866","","","","","","0.903","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1513111","14.897","0.003","6.8317","0.0014","20.38","0.004","90","","102.13","0.03","90","","2027.8","0.7","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","1","","Zhang, Hongbo; Ning, Xin; Hang, Hang; Ru, Xuyan; Li, Haichen; Li, Yonghong; Wang, Lizhong; Zhang, Xiao; Yu, Shujing; Qiao, Yuanyuan; Wang, Xin; Wang, Peng George","Total Synthesis of Thaxtomin A and Its Stereoisomers and Findings of Their Biological Activities","Organic Letters","2013","15","22","5670","","10.1021/ol4026556","","","0.71073","MoKα","","0.0679","0.0483","","","0.1041","0.1168","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513124","37.404","0.003","6.7314","0.0005","10.8232","0.0009","90","","90.249","0.003","90","","2725.1","0.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H33 Cl N2 O3 S -","- C30 H33 Cl N2 O3 S -","- C120 H132 Cl4 N8 O12 S4 -","4","1","","Xu, Qing-Long; Zhuo, Chun-Xiang; Dai, Li-Xin; You, Shu-Li","Highly Enantioselective Synthesis of TetrahydrocarbolinesviaIridium-Catalyzed Intramolecular Friedel‒Crafts Type Allylic Alkylation Reactions","Organic Letters","2013","15","23","5909","","10.1021/ol4027717","","","0.71073","MoKα","","0.0599","0.0524","","","0.1194","0.1245","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513183","45.815","0.012","13.88","0.003","16.375","0.004","90","","106.948","0.006","90","","9961","4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H76.75 Cd5 Cl4 N36 O29.5 -","- C66 H66 Cd5 Cl4 N36 O27.5 -","- C264 H264 Cd20 Cl16 N144 O110 -","4","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; James A. Golen; Arnold L. Rheingold; Susanta Kumar Kar","A rare pentanuclear cadmium(II) complex and two new mononuclear zinc(II) complexes of pyrazole derived ditopic ligands - Synthesis, crystal structures and spectral studies","Inorganica Chimica Acta","2013","397","","144","151","10.1016/j.ica.2012.12.003","","","0.71073","MoKα","","0.0801","0.0658","","","0.1725","0.1865","","","","","","1.113","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513222","20.3979","0.0007","9.6961","0.0003","16.0481","0.0006","90","","99.429","0.002","90","","3131.11","0.19","140","2","140","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H44 O11 -","- C29 H44 O11 -","- C116 H176 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0674","0.066","","","0.1793","0.181","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513232","20.2766","0.001","11.0112","0.0006","13.5295","0.0006","90","","123.314","0.002","90","","2524.3","0.2","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H10 I N O3 -","- C13 H10 I N O3 -","- C104 H80 I8 N8 O24 -","8","2","","Murata, Yusuke; Takahashi, Masaki; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Construction of Spiro-Fused 2-Oxindole/α-Methylene- γ-Butyrolactone Systems with Extremely High Enantioselectivity via Indium-Catalyzed Amide Allylation of N-Methyl Isatin.","Organic letters","2013","15","24","6182","6185","10.1021/ol403014u","","","1.54178","CuKα","","0.0729","0.0716","","","0.1939","0.196","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513343","22.064","0.003","10.5914","0.0013","22.751","0.003","90","","118.669","0.002","90","","4664.9","1.1","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","7,7,8,8,9,9-hexafluoro-3a,3a1,4-trimethyl-2,5-diphenyl- 3a,3a1,4,7,8,9-hexahydro-3-thia-4-azacyclopenta[a]acenaphthylene","","- C28 H21 F6 N S -","- C28 H21 F6 N S -","- C224 H168 F48 N8 S8 -","8","2","","Hirose, Takashi; Inoue, Yuki; Hasegawa, Jun-Ya; Higashiguchi, Kenji; Matsuda, Kenji","Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer.","The journal of physical chemistry. A","2014","118","6","1084","1093","10.1021/jp4122694","","","0.71073","MoKα","","0.0968","0.0633","","","0.1354","0.1474","","","","","","1.163","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513368","29.934","0.007","7.8815","0.0016","8.732","0.003","90","","98.3","0.03","90","","2038.5","1","104.3","","104.3","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H31.5 N O4.5 -","- C23 H32 N O4.5 -","- C92 H128 N4 O18 -","4","1","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.1754","0.1407","","","0.3467","0.377","","","","","","1.754","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513369","29.5456","0.0011","7.8704","0.0003","8.8858","0.0003","90","","96.335","0.004","90","","2053.65","0.13","103.5","","103.5","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H30 N O5.5 -","- C23 H30 N O5.5 -","- C92 H120 N4 O22 -","4","1","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.04","0.038","","","0.0985","0.1006","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513445","33.2464","0.0015","6.863","0.0005","31.448","0.002","90","","109.185","0.003","90","","6777","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","2011mg01mcf01","","","- C70 H78 N2 -","- C70 H78 N2 -","- C280 H312 N8 -","4","1","","Castro-Fernández, Silvia; Lahoz, Inmaculada R.; Llamas-Saiz, Antonio L; Alonso-Gómez, José Lorenzo; Cid, María-Magdalena; Navarro-Vázquez, Armando","Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex.","Organic letters","2014","16","4","1136","1139","10.1021/ol403778f","","x-ray","1.54178","CuKα","","0.0911","0.0561","","","0.1434","0.1582","","","","","","0.93","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513464","31.361","0.005","5.4611","0.0008","13.461","0.002","90","","91.404","0.004","90","","2304.7","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H23 Br O3 S -","- C27 H23 Br O3 S -","- C108 H92 Br4 O12 S4 -","4","1","","Wang, Shengzheng; Zhang, Yongqiang; Dong, Guoqiang; Wu, Shanchao; Fang, Kun; Li, Zhengang; Miao, Zhenyuan; Yao, Jianzhong; Li, Hao; Li, Jian; Zhang, Wannian; Wang, Wei; Sheng, Chunquan","Facile Assembly of Chiral Tetrahydrothiopyrans Containing Four Consecutive Stereocenters via an Organocatalytic Enantioselective Michael-Michael Cascade.","Organic letters","2014","16","3","692","695","10.1021/ol4033557","","","0.71073","MoKα","","0.0345","0.0289","","","0.0785","0.0802","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513481","21.8649","0.0016","13.0933","0.0009","17.7804","0.0013","90","","110.708","0.001","90","","4761.4","0.6","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C208 H224 O64 -","16","4","","Youn, So Won; Song, Hyoung Sub; Park, Jong Hyub","Asymmetric Domino Multicatalysis for the Synthesis of 3-Substituted Phthalides: Cinchonine/NHC Cooperative System.","Organic letters","2014","16","3","1028","1031","10.1021/ol5000617","","","0.71073","MoKα","","0.0915","0.0683","","","0.1824","0.2024","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513493","26.727","0.004","9.8065","0.0013","10.1143","0.0013","90","","92.122","0.003","90","","2649.1","0.6","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H38 N O4 P2 Pt -","- C23 H38 N O4 P2 Pt -","- C92 H152 N4 O16 P8 Pt4 -","4","1","","Ou-Yang, Jiang-Kun; Zhang, Yan-Yan; He, Meng-Lan; Li, Jiang-Tao; Li, Xiaopeng; Zhao, Xiao-Li; Wang, Cui-Hong; Yu, Yihua; Wang, De-Xian; Xu, Lin; Yang, Hai-Bo","Unexpected Self-Assembly of Chiral Triangles from 90° Chiral Di-Pt(II) Acceptors.","Organic letters","2014","16","3","664","667","10.1021/ol4032649","","","0.71073","MoKα","","0.0369","0.035","","","0.0927","0.0942","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513802","28.087","0.0013","11.9998","0.0006","10.9846","0.0006","90","","90.761","0.002","90","","3701.9","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","BMS-791325","(4bS,5aR)-12-cyclohexyl-N-(N,N-dimethylsulfamoyl)-3-methoxy-5a-((1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl) -4b,5,5a,6-tetrahydrobenzo[3,4]cyclopropa[5,6]azepino[1,2-a]indole-9-carboxamide","","- C36 H46 Cl N5 O6 S -","- C36 H46 Cl N5 O6 S -","- C144 H184 Cl4 N20 O24 S4 -","4","1","","Gentles, Robert G.; Ding, Min; Bender, John A.; Bergstrom, Carl P.; Grant-Young, Katharine; Hewawasam, Piyasena; Hudyma, Thomas; Martin, Scott; Nickel, Andrew; Regueiro-Ren, Alicia; Tu, Yong; Yang, Zhong; Yeung, Kap-Sun; Zheng, Xiaofan; Chao, Sam; Sun, Jung-Hui; Beno, Brett R.; Camac, Daniel M.; Chang, Chong-Hwan; Gao, Mian; Morin, Paul E.; Sheriff, Steven; Tredup, Jeff; Wan, John; Witmer, Mark R.; Xie, Dianlin; Hanumegowda, Umesh; Knipe, Jay; Mosure, Kathy; Santone, Kenneth S.; Parker, Dawn D.; Zhuo, Xiaoliang; Lemm, Julie; Liu, Mengping; Pelosi, Lenore; Rigat, Karen; Voss, Stacey; Wang, Yi; Wang, Ying-Kai; Colonno, Richard J.; Gao, Min; Roberts, Susan B.; Gao, Qi; Ng, Alicia; Meanwell, Nicholas A.; Kadow, John F.","Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.","Journal of medicinal chemistry","2014","57","5","1855","1879","10.1021/jm4016894","","","0.71073","MoKα","","0.1184","0.0709","","","0.1723","0.2065","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513835","35.727","0.0013","13.896","0.0003","19.912","0.0008","90","","116.668","0.001","90","","8834","0.5","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C46 H55 Cl3 N3 O P S2 -","- C46 H55 Cl3 N3 O P S2 -","- C368 H440 Cl24 N24 O8 P8 S16 -","8","2","","He, Xiaoming; Lin, Jian-Bin; Kan, Wang Hay; Trudel, Simon; Baumgartner, Thomas","Synthesis and properties of cholesteric click-phospholes.","Organic letters","2014","16","5","1366","1369","10.1021/ol500129p","","","0.71073","MoKα","","0.1163","0.0824","","","0.2221","0.2672","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513861","21.4308","0.0014","6.089","0.0004","13.0171","0.0008","90","","116.36","0.002","90","","1522.01","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H21 O2 P -","- C17 H21 O2 P -","- C68 H84 O8 P4 -","4","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0446","0.0353","","","0.0729","0.0764","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513873","25.33","0.004","6.664","0.0008","16.09","0.002","90","","121.291","0.016","90","","2320.9","0.7","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H25 O5 P -","- C29 H25 O5 P -","- C116 H100 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0814","0.063","","","0.129","0.1415","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514175","12.8255","0.0006","11.1968","0.0004","12.6545","0.0006","90","","107.183","0.005","90","","1736.13","0.14","104","2","104","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H50 O8 -","- C40 H50 O8 -","- C80 H100 O16 -","2","0.5","","Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng","Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp.","Journal of natural products","2014","77","4","873","881","10.1021/np4009688","","","1.54184","CuKα","","0.0366","0.0355","","","0.0963","0.0976","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514209","29.758","0.003","6.786","0.0007","16.7258","0.0018","90","","117.029","0.003","90","","3008.7","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H33 N3 O9 S2 -","- C28 H33 N3 O9 S2 -","- C112 H132 N12 O36 S8 -","4","1","","Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide-Induced Aminocyclization-Aziridine Ring-Expansion Cascade: An Asymmetric and Highly Stereoselective Approach toward the Synthesis of Azepane.","Organic letters","2014","16","8","2134","2137","10.1021/ol5005609","","","0.71073","MoKα","","0.0826","0.0536","","","0.1033","0.1122","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514213","26.5845","0.0009","9.3012","0.0003","14.1691","0.0004","90","","112.536","0.002","90","","3236.03","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H44 N O11 -","- C28 H44 N O11 -","- C112 H176 N4 O44 -","4","1","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","","0.71073","MoKα","","0.098","0.0541","","","0.1463","0.1799","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514679","25.646","0.003","6.3769","0.0007","10.8278","0.0011","90","","112.766","0.001","90","","1632.8","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H13 Cl3 I N O2 -","- C13 H13 Cl3 I N O2 -","- C52 H52 Cl12 I4 N4 O8 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0337","0.0285","","","0.06","0.0621","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514694","28.468","0.005","6.5087","0.0019","10.903","0.002","90","","101.161","0.017","90","","1982","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-tert-Butyl-2-(4-bromophenyl)-2-cyano-2-((R)-2-oxooxepan-4-yl)acetate","","- C19 H22 Br N O4 -","- C19 H22 Br N O4 -","- C76 H88 Br4 N4 O16 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.0986","0.0667","","","0.1444","0.1602","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514746","19.358","0.01","9.419","0.005","8.186","0.004","90","","90.979","0.016","90","","1492.4","1.3","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H17 F3 O2 -","- C18 H17 F3 O2 -","- C72 H68 F12 O8 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0584","","","","0.1899","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514871","25.082","0.006","14.877","0.003","19.229","0.004","90","","93.881","0.003","90","","7159","3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C114.75 H48.75 Cl0.75 N4 Ni Sm -","- C114.86 H48.86 Cl0.684 N4 Ni Sm0.996 -","- C459.44 H195.44 Cl2.736 N16 Ni4 Sm3.984 -","4","1","","Xu, Wei; Hao, Yajuan; Uhlik, Filip; Shi, Zujin; Slanina, Zdenêk; Feng, Lai","Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species.","Nanoscale","2013","5","21","10409","10413","10.1039/c3nr03447j","","","0.71073","MoKα","","0.1326","0.1258","","","0.3312","0.3365","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515045","21.316","0.002","6.3205","0.0006","17.4926","0.0017","90","","112.859","0.002","90","","2171.6","0.4","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C84 H84 Br4 N8 O16 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.0884","0.0479","","","0.1018","0.1286","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515353","35.285","0.015","4.651","0.002","12.784","0.005","90","","97.518","0.007","90","","2080","1.5","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C88 H120 N16 O8 -","4","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0888","0.0762","","","0.196","0.2024","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515413","19.546","0.004","17.36","0.004","19.889","0.004","90","","105.63","0.03","90","","6499","3","200","1","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C47 H59 Cl3 N4 O8 Si -","- C47 H59 Cl3 N4 O8 Si -","- C188 H236 Cl12 N16 O32 Si4 -","4","1","","Knowles, Robert R.; Carpenter, Joseph; Blakey, Simon B.; Kayano, Akio; Mangion, Ian K.; Sinz, Christopher J.; Macmillan, David W. C.","Total synthesis of diazonamide A.","Chemical science (Royal Society of Chemistry : 2010)","2011","2011","2","308","311","10.1039/C0SC00577K","","","0.71073","MoKα","","0.1515","0.1136","","","0.2908","0.3174","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515443","26.876","0.005","38.443","0.008","22.391","0.005","90","","94.44","0.03","90","","23065","8","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C169 H123 F45 Fe4 N36 O31 S10 -","- C159 H123 F15 Fe4 N31 O11 S5 -","- C636 H492 F60 Fe16 N124 O44 S20 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1465","0.1069","","","0.2794","0.3103","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515531","24.233","0.016","11.685","0.008","20.507","0.013","90","","111.491","0.011","90","","5403","6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H55 N2 O17.5 -","- C63 H55 N2 O17.385 -","- C252 H220 N8 O69.54 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1507","0.0649","","","0.1185","0.1471","","","","","","0.998","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515791","25.774","0.009","17.105","0.004","22.731","0.007","90","","121.38","0.02","90","","8555","5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48.5 H29 Cl O4 P Pd0.25 -","- C48.5 H29 Cl O4 P Pd0.25 -","- C388 H232 Cl8 O32 P8 Pd2 -","8","2","","Rueping, Magnus; Theissmann, Thomas","Asymmetric Brønsted acid catalysis in aqueous solution","Chemical Science","2010","1","4","473","","10.1039/c0sc00206b","","","0.71073","MoKα","","0.4924","0.2523","","","0.4892","0.6271","","","","","","0.998","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515869","44.28","0.002","12.7293","0.0006","25.6592","0.0011","90","","95.409","0.004","90","","14398.5","1.1","123","","123","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C72 H74 B F24 Ir N O2 P -","- C72 H74 B F24 Ir N O2 P -","- C576 H592 B8 F192 Ir8 N8 O16 P8 -","8","2","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0707","0.0442","","0.0667","0.0428","0.0409","","","","","","0.975","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515917","32.787","0.006","7.992","0.005","7.252","0.004","90","","90.19","0.04","90","","1900.3","1.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","8-(4-(methoxycarbonyl)phenyl) -1,3,5,7-tetramethyl-4,4- difluoro-3a, 4a-diaza-4-bora-s-indacene","8-[4-(methoxycarbonyl)phenyl] -1,3,5,7-tetramethyl-4,4-difluoro-3a, 4a-diaza-4-bora-s-indacene","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Filarowski, Aleksander; Kluba, Małgorzata; Cieślik-Boczula, Katarzyna; Koll, Aleksander; Kochel, Andrzej; Pandey, Lesley; De Borggraeve, Wim M.; Van der Auweraer, Mark; Catalán, Javier; Boens, Noël","Generalized solvent scales as a tool for investigating solvent dependence of spectroscopic and kinetic parameters. Application to fluorescent BODIPY dyes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","996","1008","10.1039/c0pp00035c","","","0.71073","MoKα","","0.0416","0.0319","","","0.0677","0.0718","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515948","25.394","0.002","7.3361","0.0007","6.313","0.0006","90","","98.11","0.002","90","","1164.31","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 N2 O4 Ti -","- C28 H26 N2 O4 Ti -","- C56 H52 N4 O8 Ti2 -","2","0.5","","Claffey, James; Deally, Anthony; Gleeson, Brendan; Hogan, Megan; Méndez, Luis Miguel Menéndez; Müller-Bunz, Helge; Patil, Siddappa; Wallis, Denise; Tacke, Matthias","Pseudo-halide derivatives of titanocene: synthesis and cytotoxicity studies.","Metallomics : integrated biometal science","2009","1","6","511","517","10.1039/b911753a","","","0.71073","MoKα","","0.0376","0.0363","","","0.0832","0.0838","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515968","19.723","0.004","18.459","0.004","17.842","0.003","90","","112.245","0.006","90","","6012","2","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H82 N4 O23 -","- C52 H60 N4 O23 -","- C208 H240 N16 O92 -","4","1","","Zhang, Jie; Guo, Dong-Sheng; Wang, Li-Hua; Wang, Zhen; Liu, Yu","Supramolecular binary hydrogels from calixarenes and amino acids and their entrapment‒release of model dye molecules","Soft Matter","2011","7","5","1756","","10.1039/c0sm01041c","","","0.71075","MoKα","","0.1449","0.1233","","","0.328","0.3516","","","","","","1.221","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516149","43.265","0.002","15.0547","0.0007","10.2366","0.0004","90","","93.976","0.003","90","","6651.5","0.5","100","2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","(2R,4aS,7aR,9R,11aS,14aR)-7a,14a-bis(benzyloxy)-2,9-dihydroxy-1,7a,8,9,11a,14a-hexahydropyrazino[1,2-a:4,5-a']diindole-6,13(2H,4aH)-dione","","- C32.5 H31 Cl N2 O6 -","- C32.5 H31 Cl N2 O6 -","- C260 H248 Cl8 N16 O48 -","8","2","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","1.54178","CuKα","K-L~3~","0.0869","0.0773","","","0.2051","0.2159","","","","","","1.023","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1516286","5.1893","0.0002","23.2065","0.0008","15.0008","0.0005","90","","92.561","0.001","90","","1804.67","0.11","200","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C6 H22 N2 Na2 O10 S2 Zn -","- C6 H17 N2 Na2 O10 S2 Zn -","- C24 H68 N8 Na8 O40 S8 Zn4 -","4","1","","Mroué, Kamal H; Power, William P.","High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes.","The journal of physical chemistry. A","2010","114","1","324","335","10.1021/jp908325n","","","0.71073","MoKα","","0.0379","0.0355","","","0.0887","0.0898","","","","","","1.377","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516464","21.651","0.005","8.9952","0.0016","13.072","0.003","90","","92.662","0.01","90","","2543.1","0.9","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H30 Cl N2 O4 -","- C26 H30 Cl N2 O4 -","- C104 H120 Cl4 N8 O16 -","4","1","","Xu, Jianfeng; Mou, Chengli; Zhu, Tingshun; Song, Bao-An; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed chemoselective cross-aza-benzoin reaction of enals with isatin-derived ketimines: access to chiral quaternary aminooxindoles.","Organic letters","2014","16","12","3272","3275","10.1021/ol501286e","","","0.71073","MoKα","","0.1303","0.0534","","","0.1109","0.1426","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516633","14.493","0.006","6.393","0.003","11.849","0.005","90","","96.568","0.006","90","","1090.6","0.8","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0539","0.0485","","","0.1201","0.1246","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516742","38.884","0.007","8.6698","0.0017","7.8123","0.0014","90","","92.945","0.015","90","","2630.2","0.8","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H33 F O8 -","- C27 H33 F O8 -","- C108 H132 F4 O32 -","4","1","","Morton, Gillian E.; Barrett, Anthony G. M.","Iterative benzyne-furan cycloaddition reactions: studies toward the total synthesis of ent-Sch 47554 and ent-Sch 47555.","Organic letters","2006","8","13","2859","2861","10.1021/ol061007+","","","1.54248","CuKα","","0.086","0.0521","","","0.1231","0.1451","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516971","20.888","0.012","7.515","0.004","14.089","0.008","90","","129.736","0.006","90","","1700.7","1.7","173.15","","173.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H17 Br O2 -","- C21 H17 Br O2 -","- C84 H68 Br4 O8 -","4","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0555","0.0514","","","0.1128","0.1162","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517234","19.1174","0.0006","6.6815","0.0002","13.5889","0.0003","90","","110.988","0.003","90","","1620.59","0.09","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H17 N O2 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0425","0.036","","","0.0872","0.0917","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517282","27.7938","0.0011","6.3604","0.0003","18.1051","0.0007","90","","127.987","0.002","90","","2522.6","0.2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 F3 N O3 -","- C27 H32 F3 N O3 -","- C108 H128 F12 N4 O12 -","4","1","","Han, Zhengxu S.; Xu, Yibo; Fandrick, Daniel R.; Rodriguez, Sonia; Li, Zhibin; Qu, Bo; Gonnella, Nina C.; Sanyal, Sanjit; Reeves, Jonathan T.; Ma, Shengli; Grinberg, Nelu; Haddad, Nizar; Krishnamurthy, Dhileep; Song, Jinhua J.; Yee, Nathan K.; Pfrengle, Waldemar; Ostermeier, Markus; Schnaubelt, Jürgen; Leuter, Zeno; Steigmiller, Sonja; Däubler, Jürgen; Stehle, Emanuel; Neumann, Lukas; Trieselmann, Thomas; Tielmann, Patrick; Buba, Annette; Hamm, Rainer; Koch, Gunter; Renner, Svenja; Dehli, Juan R.; Schmelcher, Florian; Stange, Christian; Mack, Jürgen; Soyka, Rainer; Senanayake, Chris H.","Facile entry to an efficient and practical enantioselective synthesis of a polycyclic cholesteryl ester transfer protein inhibitor.","Organic letters","2014","16","16","4142","4145","10.1021/ol501833g","","","1.54178","CuKα","","0.0553","0.055","","","0.1474","0.1478","","","","","","1.0566","","","","has coordinates","288645","2024-01-03","15:04:00",""
"1517383","16.7824","0.0011","8.1768","0.0004","7.5091","0.0003","90","","107.502","0.002","90","","982.74","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 N2 O6 S2 -","- C18 H20 N2 O6 S2 -","- C36 H40 N4 O12 S4 -","2","0.5","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui","Brocazines A-F, Cytotoxic Bisthiodiketopiperazine Derivatives from Penicillium brocae MA-231, an Endophytic Fungus Derived from the Marine Mangrove Plant Avicennia marina.","Journal of natural products","2014","77","8","1921","","10.1021/np500382k","","","1.54178","CuKα","","0.0699","0.0536","","","0.1394","0.1465","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517508","24.6086","0.0007","7.9486","0.0001","15.1824","0.0004","90","","127.722","0.001","90","","2349.02","0.1","200","","200","","","","","","","","from U of Wollongong","5","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0414","0.0377","","0.0991","0.096","0.0991","","","","","","0.9907","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517621","15.4005","0.0019","15.4356","0.0019","13.3294","0.0017","90","","92.652","0.009","90","","3165.2","0.7","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H24 Cu2 N14 O8 -","- C26 H24 Cu2 N14 O8 -","- C104 H96 Cu8 N56 O32 -","4","1","","Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten","Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-","Inorganica Chimica Acta","2013","403","","120","126","","","","0.71073","MoKα","","0.1165","0.102","","","0.2636","0.2784","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517664","62.156","0.003","6.5176","0.0003","18.9764","0.0008","90","","101.552","0.003","90","","7531.8","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H45 Cl O -","- C27 H45 Cl O -","- C324 H540 Cl12 O12 -","12","3","","Jing, Yuanyuan; Daniliuc, Constantin G.; Studer, Armido","Direct Conversion of Alcohols to α-Chloro Aldehydes and α-Chloro Ketones.","Organic letters","2014","16","18","4932","4935","10.1021/ol5024568","","","1.54178","CuKα","","0.153","0.0753","","","0.1762","0.2199","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517828","31.994","0.004","6.1028","0.0007","16.831","0.002","90","","98.394","0.006","90","","3251.1","0.7","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H26 N4 O13 -","- C33 H26 N4 O13 -","- C132 H104 N16 O52 -","4","1","","Fernández de la Pradilla, Roberto; Velado, Marina; Colomer, Ignacio; Simal, Carmen; Viso, Alma; Gornitzka, Heinz; Hemmert, Catherine","Remote stereocontrol in the synthesis of acyclic 1,4-diols and 1,4-aminoalcohols from 2-sulfinyl dienes.","Organic letters","2014","16","19","5200","5203","10.1021/ol502592y","","","0.71073","MoKα","","0.1447","0.0491","","","0.0857","0.1117","","","","","","0.965","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1517863","22.799","0.007","6.131","0.001","12.752","0.003","90","","110.94","0.02","90","","1664.8","0.7","","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C10 H21 N2 Ni O5 S2 Tl -","- C10 N2 Ni O5 S2 Tl -","- C40 N8 Ni4 O20 S8 Tl4 -","4","1","","Muller, A.; Johannes, K. U.; Straube, M.; Krickemeyer, R.; Bogge, H.","Penicillamine complexes of nickel, chromium, and molybdenum - structural particularity and biological/medical relevance","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1037","1046","","","x-ray","0.71073","MoKα","","","0.056","","","0.052","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517864","20.54","0.003","5.921","0.001","6.067","0.001","90","","92.89","0.01","90","","736.9","0.2","","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C10 H18 Cr N2 O4 S2 Tl -","- C10 Cr N2 O4 S2 Tl -","- C20 Cr2 N4 O8 S4 Tl2 -","2","0.5","","Muller, A.; Johannes, K. U.; Straube, M.; Krickemeyer, R.; Bogge, H.","Penicillamine complexes of nickel, chromium, and molybdenum - structural particularity and biological/medical relevance","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1037","1046","","","x-ray","0.71073","MoKα","","","0.028","","","0.033","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517947","17.8456","0.0011","5.5103","0.0003","12.4607","0.001","90","","120.958","0.006","90","","1050.76","0.14","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Matviitsuk, Anastassia; Berndt, Falko; Mahrwald, Rainer","Four into one: organocatalyzed stereoselective conjugate addition of unprotected and unactivated carbohydrates.","Organic letters","2014","16","20","5474","5477","10.1021/ol5027443","","","0.71073","MoKα","","0.0477","0.0454","","","0.1242","0.1267","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517961","24.1913","0.0012","6.4335","0.0003","11.2245","0.0006","90","","91.281","0.002","90","","1746.49","0.15","100","","99.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 N O6 S -","- C19 H17 N O6 S -","- C76 H68 N4 O24 S4 -","4","1","","Engl, Oliver D.; Fritz, Sven P.; Käslin, Alexander; Wennemers, Helma","Organocatalytic route to dihydrocoumarins and dihydroquinolinones in all stereochemical configurations.","Organic letters","2014","16","20","5454","5457","10.1021/ol502697s","","x-ray","0.71073","MoKα","K-L~3~","0.029","0.0269","","","0.0649","0.0661","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517990","53.108","0.011","21.244","0.004","26.197","0.005","90","","98.53","0.03","90","","29229","10","95","0.2","95","0.2","","","","","","","","3","C 1 2 1","C 2y","5","C60_in_[4]CA","","","- C197.82 H137.82 Cl5.46 -","- C197.819 H137.819 Cl5.4585 -","- C1582.56 H1102.56 Cl43.668 -","8","2","","Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki","Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures","Chem. Sci.","2015","6","2","909","","10.1039/C4SC02812K","","","0.96","synchrotron","","0.1605","0.142","","","0.3558","0.3849","","","","","","1.5","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518067","14.368","0.0006","5.5232","0.0002","16.9484","0.0007","90","","104.156","0.004","90","","1304.14","0.09","149","2","149","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.0441","0.0402","","","0.0945","0.0974","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518073","21.979","0.007","3.805","0.0012","12.816","0.004","90","","125.112","0.004","90","","876.8","0.5","110","2","110","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","0.5","","Dang, Hai-Yan; Wang, Zi-Tian; Cheng, Ying","Changing reaction pathways of the dimerization of 2-formylcinnamates by N-heterocyclic carbene/lewis Acid cooperative catalysis: an unusual cleavage of the carbon-carbon bond.","Organic letters","2014","16","21","5520","5523","10.1021/ol502791s","","","0.71073","MoKα","","0.0727","0.0652","","","0.1607","0.1683","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518152","14.001","0.003","10.574","0.002","13.214","0.003","90","","110.89","0.03","90","","1827.7","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19.5 H19 Br N O3.5 -","- C19.5 H19 Br N O3.5 -","- C78 H76 Br4 N4 O14 -","4","1","","He, Ling; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Catalytic asymmetric difunctionalization of stable tertiary enamides with salicylaldehydes: highly efficient, enantioselective, and diastereoselective synthesis of diverse 4-chromanol derivatives.","Organic letters","2014","16","22","5972","5975","10.1021/ol5029964","","","0.71073","MoKα","","0.0389","0.0361","","","0.0849","0.0865","","","","","","1.09","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1518235","17.9092","0.0013","6.1043","0.0005","17.9815","0.0013","90","","102.833","0.002","90","","1916.7","0.3","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H33 N O5 S -","- C15 H33 N O5 S -","- C60 H132 N4 O20 S4 -","4","1","","Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A.","Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.","Journal of medicinal chemistry","2014","57","22","9644","9657","10.1021/jm501399d","","","0.71073","MoKα","","0.0784","0.0479","","","0.076","0.1118","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518275","7.0592","0.0002","9.6718","0.0003","18.5618","0.0006","90","","91.179","0.002","90","","1267.04","0.07","228","2","228","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0408","0.0383","","","0.1005","0.1025","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518338","27.5079","0.0016","16.0629","0.0009","14.4082","0.001","90","","108.033","0.004","90","","6053.6","0.7","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H54 F18 N15 P3 Ru3 S9 -","- C36 H54 F18 N15 P3 Ru3 S9 -","- C144 H216 F72 N60 P12 Ru12 S36 -","4","1","","Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.","Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry","Chem. Sci.","2015","6","2","1334","","10.1039/C4SC02799J","","","0.71073","MoKα","","0.0719","0.0565","","","0.147","0.1629","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518417","18.8295","0.0009","7.8451","0.0004","11.4443","0.0005","90","","95.208","0.002","90","","1683.57","0.14","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H23 Br O5 -","- C17 H22.5 Br O5 -","- C68 H90 Br4 O20 -","4","1","","Shockley, Samantha E.; Holder, Jeffrey C.; Stoltz, Brian M.","A catalytic, enantioselective formal synthesis of (+)-dichroanone and (+)-taiwaniaquinone H.","Organic letters","2014","16","24","6362","6365","10.1021/ol5031537","","","0.71073","MoKα","","0.0344","0.0256","","","0.0521","0.0538","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518451","52.27","0.06","5.01","0.006","22.83","0.03","90","","105.49","0.03","90","","5761","12","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","FmocFF","","- C33 H31.75 N2 O5.88 -","- C33 H30 N2 O5.845 -","- C264 H240 N16 O46.76 -","8","2","","Raeburn, Jaclyn; Mendoza-Cuenca, Cristina; Cattoz, Beatrice N.; Little, Marc A.; Terry, Ann E.; Zamith Cardoso, Andre; Griffiths, Peter C.; Adams, Dave J.","The effect of solvent choice on the gelation and final hydrogel properties of Fmoc-diphenylalanine.","Soft matter","2015","11","5","927","935","10.1039/c4sm02256d","","x-ray","0.6889","","","0.2274","0.1027","","","0.2387","0.3134","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518456","19.3925","0.0007","6.0017","0.0001","17.9993","0.0006","90","","107.635","0.004","90","","1996.45","0.11","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C21 H28 O4 S -","- C21 H28 O4 S -","- C84 H112 O16 S4 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.","Organic letters","2015","17","1","166","169","10.1021/ol5034817","","","1.5418","CuKα","","0.0443","0.0435","","0.1216","0.1212","0.1216","","","","","","1.0367","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518461","21.3083","0.0015","16.6395","0.0006","17.8923","0.0007","90","","118.967","0.004","90","","5550.3","0.5","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H21 Cl2 N O4 -","- C24 H21 Cl2 N O4 -","- C192 H168 Cl16 N8 O32 -","8","2","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","0.71073","MoKα","","0.0845","0.054","","","0.1342","0.1464","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518466","43.491","0.004","5.5109","0.0005","18.3225","0.0015","90","","95.331","0.007","90","","4372.4","0.7","100","2","100.09","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24.5 H26.52 O7 -","- C24.5 H26.518 O7 -","- C196 H212.144 O56 -","8","2","","McDonald, Benjamin R.; Nibbs, Antoinette E.; Scheidt, Karl A.","A biomimetic strategy to access the silybins: total synthesis of (-)-isosilybin a.","Organic letters","2015","17","1","98","101","10.1021/ol503303w","","","1.54178","CuKα","","0.1121","0.0768","","","0.2036","0.2394","","","","","","1.053","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518597","21.0973","0.0018","8.3882","0.0007","6.3567","0.0005","90","","102.383","0.003","90","","1098.76","0.16","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H22 F4 P2 -","- C25 H22 F4 P2 -","- C50 H44 F8 P4 -","2","0.5","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.0318","0.0277","","","0.0639","0.066","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518716","25.187","0.006","8.1556","0.0019","21.154","0.005","90","","99.308","0.003","90","","4288.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H55 Cl2 N5 O10 -","- C42 H55 Cl2 N5 O10 -","- C168 H220 Cl8 N20 O40 -","4","1","","Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G.","Large ring-forming alkylations provide facile access to composite macrocycles","Chem. Sci.","2015","6","4","2219","","10.1039/C4SC03848G","","","0.71073","MoKα","","0.084","0.0682","","","0.1669","0.1758","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518774","19.391","0.014","6.455","0.007","15.383","0.012","90","","115.322","0.013","90","","1740","3","295","","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Gao, Chun; Han, Li; Zheng, Dan; Jin, Hongwei; Gai, Chunyan; Wang, Jianbin; Zhang, Hao; Zhang, Liangren; Fu, Hongzheng","Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.","Journal of natural products","2015","78","4","630","638","10.1021/np500746n","","","1.54187","CuKα","","0.0545","0.0463","","","0.116","0.146","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518862","12.7036","0.0013","3.9646","0.0003","22.6796","0.0018","90","","92.642","0.007","90","","1141.04","0.17","100","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Iridium telluride","","- Ir Te2 -","- Ir2 Te4 -","- Ir16 Te32 -","8","2","","Pascut, G. L.; Birol, T.; Gutmann, M. J.; Yang, J. J.; Cheong, S.-W.; Haule, K.; Kiryukhin, V.","Series of alternating states with unpolarized and spin-polarized bands in dimerized <span class=""aps-inline-formula""><math xmlns=""http://www.w3.org/1998/Math/MathML""><msub><mi>IrTe</mi><mn>2</mn></msub></math></span>","Physical Review B","2014","90","19","195122","","10.1103/PhysRevB.90.195122","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518906","13.707","0.002","6.3468","0.001","13.269","0.003","90","","103.472","0.008","90","","1122.6","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H18 O2 -","- C34 H18 O2 -","- C68 H36 O4 -","2","0.5","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.0409","0.0302","","","0.0873","0.1011","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519441","22.183","0.011","7.95","0.003","15.744","0.008","90","","122.929","0.005","90","","2330.5","1.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C112 H112 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.7107","MoKα","","0.0497","0.0373","","","0.0947","0.1022","","","","","","1.053","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1519474","19.403","0.002","8.9915","0.0011","17.855","0.002","90","","93.313","0.004","90","","3109.8","0.6","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H40 N2 O8 -","- C32 H40 N2 O8 -","- C128 H160 N8 O32 -","4","1","","Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B.","C32H40N2O8","Crystal Structure Report Archive","2002","","","941","","","","","0.71073","MoKα","","0.1777","0.0942","","","0.2282","0.2782","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519634","35.1081","0.0009","14.6516","0.0002","31.3279","0.0008","90","","101.649","0.002","90","","15782.8","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C63.2 H72.55 I6 N13.06 Zn3 -","- C63.197 H72.553 I6 N13.062 Zn3 -","- C505.576 H580.424 I48 N104.496 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0829","0.058","","","0.1602","0.1852","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519635","35.2721","0.0009","14.6427","0.0002","31.6037","0.0009","90","","102.029","0.002","90","","15964.2","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.26 H61.53 I6 N14 Zn3 -","- C60.2635 H61.526 I6 N14 Zn3 -","- C482.108 H492.208 I48 N112 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0899","0.0651","","","0.1864","0.2139","","","","","","1.019","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519636","34.8299","0.0007","14.9133","0.0002","31.5387","0.0006","90","","102.403","0.002","90","","15999.8","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H64 I12.04 N24 S0.5 Zn6 -","- C84.5 H64 I12.036 N24 S0.5 Zn6 -","- C338 H256 I48.144 N96 S2 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0754","0.0598","","","0.1854","0.2036","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519637","34.4391","0.0011","15.0959","0.0003","29.9556","0.001","90","","101.454","0.003","90","","15263.4","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C87.64 H68.04 I12 N24 S0.62 Zn6 -","- C87.61 H68.024 I12 N24 S0.622 Zn6 -","- C350.44 H272.096 I48 N96 S2.488 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.1034","0.0749","","","0.2307","0.2612","","","","","","1.036","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519638","34.2","0.003","15.1265","0.0013","31.003","0.003","90","","102.385","0.001","90","","15665","2","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C342.4 H253.2 I48 N96 O6.8 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1378","0.0978","","","0.2817","0.3129","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519639","34.627","0.004","15.0818","0.0016","31.194","0.003","90","","102.792","0.001","90","","15886","3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C86.95 H64.82 I12 N24 O1.87 Zn6 -","- C86.9504 H64.8192 I12 N24 O1.8688 Zn6 -","- C347.802 H259.277 I48 N96 O7.4752 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1088","0.0745","","","0.224","0.2548","","","","","","1.048","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1520168","23.089","0.007","6.403","0.002","18.496","0.006","90","","94.025","0.003","90","","2727.7","1.5","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","Glutaric acid & 1,1,3,3-tetramethylbutylamine","","- C47 H100 N4 O12 -","- C47 H100 N4 O12 -","- C94 H200 N8 O24 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Di-1,1,3,3-tetramethylbutylammonium glutarate hemiglutaric acid","Crystal Structure Report Archive","2008","","","524","","","","","0.6911","synchrotron","","0.0581","0.0498","","","0.1268","0.1331","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520257","14.7118","0.0003","11.4599","0.0003","9.8194","0.0003","90","","103.911","0.002","90","","1606.95","0.07","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H20 B5 N O11 -","- C7 H20 B5 N O11 -","- C28 H80 B20 N4 O44 -","4","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.","C7H20B5NO11","Crystal Structure Report Archive","2008","","","428","","","","","0.71073","MoKα","","0.0721","0.0599","","","0.1566","0.1702","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520346","18.9488","0.0006","5.6024","0.0001","20.7934","0.0006","90","","90.355","0.002","90","","2207.36","0.1","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H26 O9 S -","- C21 H26 O9 S -","- C84 H104 O36 S4 -","4","1","","Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.","Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-benzylsulfanyl- tetrahydro-pyran-3-yl ester","Crystal Structure Report Archive","2009","","","858","","","","","0.71073","MoKα","","0.0869","0.0617","","","0.11","0.1233","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520501","19.1418","0.0005","8.5274","0.0002","14.545","0.0001","90","","104.543","0.002","90","","2298.11","0.08","","","296","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C6 H23 Al3 N4 O17 P4 -","- C6 H16 Al3 N4 O17 P4 -","- C24 H64 Al12 N16 O68 P16 -","4","1","","N. Simon; T. Loiseau; G. Ferey","Synthesis and crystal structure of MIL-32: a new chiral layered aluminophosphate templated with non chiral tris(2-aminoethyl)amine: Al3(PO4)4, N4C6H21, H2O","Solid State Sciences","2000","2","","391","397","","","x-ray","0.71073","MoKα","","","0.0712","","","0.1703","","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520529","17.173","0.006","19.784","0.007","13.887","0.005","90","","95.771","0.004","90","","4694","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0938","0.0615","","","0.1659","0.184","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520530","17.0391","0.0008","20.0278","0.001","13.8334","0.0007","90","","96.243","0.003","90","","4692.7","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.1141","0.0588","","","0.1373","0.1654","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520623","25.1923","0.0001","9.6565","0.0001","10.6715","0.0001","90","","92.2457","0.0005","90","","2594.06","0.04","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H44 F0.5 N0.5 O7 -","- C22 H44 F0.5 N0.5 O7 -","- C88 H176 F2 N2 O28 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0327","0.0326","","0.0889","0.0889","0.0889","","","","","","1.0044","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520680","15.232","0.008","8.786","0.005","15.22","0.01","90","","109.59","0.04","90","","1919","2","","","145","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H37 Br N4 -","","","4","1","","Springborg, Johan; Pretzmann, Ulla; Olsen, Carl Erik; Sotofte, Inger","Crystal Structures of Salts of Mono- and Triprotonated [36]Adamanzane, 1,5,9,13-Tetraazatricyclo[7.7.3.3(5,13)]docosane, and Equilibrium Studies of the Reactions between Mono-, Di- and Triprotonated Species, Respectively, Having None, One and Two Lone Pairs Pointing Outwards","Acta Chemica Scandinavica","1998","52","","289","295","10.3891/acta.chem.scand.52-0289","","x-ray","1.5418","CuKα","","","0.0988","","","0.3201","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1520720","22.6971","0.0004","11.6034","0.0002","19.6097","0.0006","90","","124.027","0.001","90","","4280.19","0.18","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H31 Cl3 O2 -","- C21 H31 Cl3 O2 -","- C168 H248 Cl24 O16 -","8","2","","Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.","Journal of natural products","2015","78","7","1635","1646","10.1021/acs.jnatprod.5b00195","","","1.54178","CuKα","","0.0425","0.0417","","","0.1124","0.1133","","","","","","1.042","","","","has coordinates","152862","2020-10-21","18:00:00",""
"1520956","36.78","0.004","8.3688","0.0008","24.188","0.002","90","","115.26","0.002","90","","6733.3","1.1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H46 Cl In N4 O2 -","- C34 H46 Cl In N4 O2 -","- C272 H368 Cl8 In8 N32 O16 -","8","2","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0228","0.0202","","","0.0473","0.0487","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521067","12.763","","7.31","","30.19","","90","","94.09","","90","","2809.48","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(Ca1.747 Sm0.253) (Ta1.84 Ti0.16) O7","","- Ca1.747 O7 Sm0.253 Ta1.84 Ti0.16 -","- Ca1.7468 O7 Sm0.2532 Ta1.8396 Ti0.1602 -","- Ca34.936 O140 Sm5.064 Ta36.792 Ti3.204 -","20","5","","Grey, I.E.; Roth, R.S.","New calcium tantalate polytypes in the system Ca2 Ta2 O7 Sm2 Ti2 O7","Journal of Solid State Chemistry","2000","150","","167","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","140701","2020-10-21","18:00:00",""
"1524223","12.569","","3.643","","6.31","","90","","117.71","","90","","255.791","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Fe Rh2 Se4","","- Fe Rh2 Se2 -","- Fe Rh2 Se2 -","- Fe2 Rh4 Se4 -","2","0.5","","Chul Sung Kim; In Bo Shim","Corstallographic and magnetic properties of Cu Rh2 Se4 - Fe Rh2 Se4 Series","Chinese Journal of Physics (Peking) (English Translation)","1990","28","","15","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524378","17.465","","3.301","","8.519","","90","","103.94","","90","","476.672","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Tl V5 S8","","- S8 Tl V5 -","- S8 Tl V5 -","- S16 Tl2 V10 -","2","0.5","","Founes, L.; Vlasse, M.; Saux, M.","Preparation, properties and crystal structure of Tl V5 S8","Materials Research Bulletin","1977","12","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525208","11.551","","5.313","","8.165","","90","","98.72","","90","","495.298","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Cu4 Ni Si2 S7","","- Cu4 Ni S7 Si2 -","- Cu4 Ni S7 Si2 -","- Cu8 Ni2 S14 Si4 -","2","0.5","","Schaefer, W.; Nitsche, R.; Scheunemann, K.","Crystal structure and magnetic properties of Cu4 Ni Si2 S7","Materials Research Bulletin","1980","15","","933","937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525556","5.174","","8.956","","14.26","","90","","97.833","","90","","654.619","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Al4.5 (Al.8 Si3.2) O10 (O H)8","","- Al5.3 H8 O18 Si3.2 -","- Al5.3 O18 Si3.2 -","- Al10.6 O36 Si6.4 -","2","0.5","","Aleksandrova, V.A.; Drits, V.A.; Sokolova, G.V.","Structural features of Dioctahedral one-packet chlorite","Kristallografiya","1972","17","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525917","13.3395","","13.1753","","12.5916","","90","","113.97","","90","","2022.15","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(Si36 O72) (C4 H9 N)4","","- C16 H36 N4 O72 Si36 -","- C16 N4 O72 Si36 -","- C16 N4 O72 Si36 -","1","0.25","","Marler, B.; Werthmann, U.; Gies, H.","Synthesis and structure of pure silica-RUB-10 (structure type: RUT)obtained with pyrrolidine as the structure directing agent","Microporous and Mesoporous Materials","2001","43","","329","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","146994","2020-10-21","18:00:00",""
"1526160","12.726","","7.38","","42.358","","90","","95.77","","90","","3958.02","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Ca2 (Ta2 O7)","","- Ca2 O7 Ta2 -","- Ca2 O7 Ta2 -","- Ca56 O196 Ta56 -","28","7","","Grey, I.E.; Planes, J.; Roth, R.S.; Mumme, W.G.; Chenavas, J.; Bendersky, L.A.; Li, C.","Characterization of new 5M and 7M polytypes of niobia-doped Ca2 Ta2 O7","Journal of Solid State Chemistry","2001","161","","274","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","147289","2020-10-21","18:00:00",""
"1526162","12.717","","7.3728","","42.464","","90","","95.755","","90","","3961.35","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ca2 (Ta1.9 Nb0.1) O7","","- Ca2 Nb0.1 O7 Ta1.9 -","- Ca2 Nb0.1 O7 Ta1.9 -","- Ca56 Nb2.8 O196 Ta53.2 -","28","7","","Grey, I.E.; Chenavas, J.; Mumme, W.G.; Roth, R.S.; Bendersky, L.A.; Planes, J.; Li, C.","Characterization of new 5M and 7M polytypes of niobia-doped Ca2 Ta2O7","Journal of Solid State Chemistry","2001","161","","274","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","147291","2020-10-21","18:00:00",""
"1526164","12.7528","","7.3492","","30.2442","","90","","94.245","","90","","2826.8","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ca2 (Ta1.8 Nb0.2) O7","","- Ca2 Nb0.2 O7 Ta1.8 -","- Ca2 Nb0.2 O7 Ta1.8 -","- Ca40 Nb4 O140 Ta36 -","20","5","","Grey, I.E.; Roth, R.S.; Li, C.; Mumme, W.G.; Planes, J.; Bendersky, L.A.; Chenavas, J.","Characterization of new 5M and 7M polytypes of niobia-doped Ca2 Ta2O7","Journal of Solid State Chemistry","2001","161","","274","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","147293","2020-10-21","18:00:00",""
"1526578","6.731","","5.944","","6.383","","90","","91.18","","90","","255.324","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Li Na5 N2","","- Li N2 Na5 -","- Li N2 Na5 -","- Li2 N4 Na10 -","2","0.5","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526644","16.44398","","5.1075","","13.4846","","90","","88.259","","90","","1132.02","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al12 O48 P12 -","12","3","","Kirchner, R.M.; Grosse-Kunstleve, R.W.; Pluth, J.J.; Broach, R.W.; Wilson, S.T.; Smith, J.V.","The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method","Microporous and Mesoporous Materials","2000","39","","319","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526706","14.897","","5.412","","7.167","","90","","110.47","","90","","541.336","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(N H4)2 (Sn2 F4 (N O3)2)","","- F4 H8 N4 O6 Sn2 -","- F4 H4 N4 O6 Sn2 -","- F8 H8 N8 O12 Sn4 -","2","0.5","","Kokunov, Yu.V.; Detkov, D.G.; Gorbunova, Yu.E.; Ershova, M.M.; Buslaev, Yu.A.; Mikhailov, Yu.N.","Crystal structure of (N H4)2 Sn2 F4 (N O3)2 - first example of dimer complexes (Sn2 F4 E2) in tin(II) fluorides","Doklady Akad. Nauk","2001","378","","347","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526724","8.5146","","9.5848","","6.3052","","90","","97.981","","90","","509.588","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","K Cr (P2 S7)","","- Cr K P2 S7 -","- Cr K P2 S7 -","- Cr2 K2 P4 S14 -","2","0.5","","Kopnin, E.; Coste, S.; Jobic, S.; Evain, M.; Brec, R.","Synthesis and crystal structure determination of three layered-type thiophosphate compounds K M P2 S7 (M = Cr, V, In)","Materials Research Bulletin","2000","35","","1401","1410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526726","8.7506","","9.9685","","6.3151","","90","","98.906","","90","","544.227","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","K In (P2 S7)","","- In K P2 S7 -","- In K P2 S7 -","- In2 K2 P4 S14 -","2","0.5","","Kopnin, E.; Coste, S.; Jobic, S.; Brec, R.; Evain, M.","Synthesis and crystal structure determination of three layered-typethiophosphate compounds K M P2 S7 (M = Cr, V, In)","Materials Research Bulletin","2000","35","","1401","1410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526728","8.5553","","9.5765","","6.3323","","90","","98.63","","90","","512.93","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","K V (P2 S7)","","- K P2 S7 V -","- K P2 S7 V -","- K2 P4 S14 V2 -","2","0.5","","Kopnin, E.; Coste, S.; Brec, R.; Jobic, S.; Evain, M.","Synthesis and crystal structure determination of three layered-typethiophosphate compounds K M P2 S7 (M = Cr, V, In)","Materials Research Bulletin","2000","35","","1401","1410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527259","11.932","","6.844","","12.244","","90","","91.93","","90","","999.31","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Rb Cu Cl3","","- Cl3 Cu Rb -","- Cl3 Cu Rb -","- Cl24 Cu8 Rb8 -","8","2","","Crama, W.J.","The cooperative Jahn-Teller distorted structure of Rb Cu Cl3","Journal of Solid State Chemistry","1981","39","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527609","16.988","","4.443","","23.59","","90","","95.7","","90","","1771.71","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","K (Se C N)3 (H2 O)0.5","","- C3 H K N3 O0.5 Se3 -","- C1.5 K0.5 N1.5 O0.25 Se1.5 -","- C12 K4 N12 O2 Se12 -","8","2","","Hauge, S.; Sletten, J.","The crystal structure of potassium triselenocyanate hemihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3094","3102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528243","13.586","","7.923","","14.094","","90","","96.88","","90","","1506.18","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Rb Cr I3","","- Cr I3 Rb -","- Cr I3 Rb -","- Cr8 I24 Rb8 -","8","2","","Zandbergen, H.W.; Ijdo, D.J.W.","Neutron powder diffraction on Rb Cr I3 and magnetic measurements on Rb Cr I3 and Cs Cr I3","Journal of Solid State Chemistry","1981","38","","199","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528352","12.486","","7.106","","16.9436","","90","","93.81","","90","","1500.01","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","K B21 H18","","- B21 H18 K -","- B21 H18 K -","- B84 H72 K4 -","4","1","","Bernhardt, E.; Brauer, D.J.; Finze, M.; Willner, H.","closo-[B21 H18](-): A face-fused diicosahedral borate ion","Angewandte Chemie (Edition international)","2007","46","","2927","2930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528382","9.067","","3.3","","7.718","","90","","119.35","","90","","201.289","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Mo As2","","- As2 Mo -","- As2 Mo -","- As8 Mo4 -","4","1","","Brown, A.","Structure data for some arsenic- and germanium-rich compounds of molybdenum","Nature (London)","1965","206","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528508","23.7282","","5.64906","","8.68173","","90","","95.8668","","90","","1157.62","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Bi10 Mo3 O24 -","- Bi10 Mo3 O24 -","- Bi20 Mo6 O48 -","2","0.5","","Galy, J.; Hernandez-Velasco, J.; Landa-Canovas, A.R.; Castro, A.; Vila, E.","Ab initio structure determination and Rietveld refinement of Bi10 Mo3 O24 the member n=3 of the Bi(2n+4) Mo(n) O6(n+1) series","Journal of Solid State Chemistry","2009","182","","1177","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529085","34.833","0.004","5.8219","0.0007","28.205","0.003","90","","98.49","0.005","90","","5657.1","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H76 N4 -","- C70 H76 N4 -","- C280 H304 N16 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1361","0.0699","","","0.1761","0.2142","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529087","35.689","0.004","5.9481","0.0006","28.84","0.003","90","","97.562","0.006","90","","6069","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H74 N6 -","- C70 H74 N6 -","- C280 H296 N24 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.7107","MoKα","","0.0931","0.0768","","","0.2101","0.2312","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529395","17.7416","0.0004","5.1188","0.0001","12.1148","0.0003","90","","92.9213","0.0013","90","","1098.78","0.04","200","","200","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C9 H13 I O4 -","- C9 H13 I O4 -","- C36 H52 I4 O16 -","4","1","","Lan, Ping; White, Lauren E.; Taher, Ehab S.; Guest, Prudence E.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of (+)-Asperpentyn and the Enantiomer of the Structure Assigned to Aspergillusol A.","Journal of natural products","2015","78","8","1963","1968","10.1021/acs.jnatprod.5b00304","","","0.71073","MoKα","","0.0259","0.0237","","0.0578","0.0566","0.0578","","","","","","0.9985","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529474","22.448","0.006","6.0248","0.0016","11.443","0.003","90","","97.517","0.005","90","","1534.3","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-2-(4-(tert-butyl)phenyl)-2-(iodomethyl)-3,3-dimethyloxirane","","- C15 H21 I O -","- C15 H21 I O -","- C60 H84 I4 O4 -","4","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0363","0.034","","","0.0876","0.0898","","","","","","1.063","","","","has coordinates","170962","2020-10-21","18:00:00",""
"1529506","14.321","0.0008","8.9769","0.0005","11.71","0.0007","90","","91.66","0.002","90","","1504.78","0.15","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0232","0.0232","","","0.0611","0.0612","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529508","14.3185","0.001","8.9738","0.0006","11.7148","0.0008","90","","91.675","0.003","90","","1504.61","0.18","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0233","0.0233","","","0.0593","0.0594","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529618","7.227","","9.315","","16.184","","90","","90.57","","90","","1089.44","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Gd Al3 (B O3)4","","- Al3 B4 Gd O12 -","- Al3 B4 Gd O12 -","- Al18 B24 Gd6 O72 -","6","1.5","","Belokoneva, E.L.; Pashkova, A.V.; Belov, N.V.; Timchenko, T.I.","The crystal structure of a new monoclinic modification of high-temperature tr-Al-borate Gd Al3 (B O3)4","Doklady Akademii Nauk SSSR","1981","261","","361","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529823","11.891","","6.589","","10.558","","90","","131.46","","90","","619.932","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs (Mn F4 (H2 O)2)","","- Cs F4 H4 Mn O2 -","- Cs F4 H4 Mn O2 -","- Cs4 F16 H16 Mn4 O8 -","4","1","","Dubler, E.; Linowsky, L.; Oswald, H.R.; Matthieu, J.P.","Synthese, Kristallstruktur und thermische Entwaesserung von Cs Mn F4 (H2 O)2","Helvetica Chimica Acta","1977","60","","1589","1600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530631","14.284","","5.091","","5.329","","90","","89.19","","90","","387.485","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Li Tl P O3 H","","- H Li O3 P Tl -","- H Li O3 P Tl -","- H4 Li4 O12 P4 Tl4 -","4","1","","Rafiq, M.; Durand, J.; Cot, L.","Sur quelques phosphites doubles de cations monovalents de la serie Li M P O3 H, (H2 O)x. Etude structurale de Li Tl P O3 H","Revue de Chimie Minerale","1981","18","","1","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530696","18.901","0.002","7.5595","0.0009","17.833","0.002","90","","111.235","0.002","90","","2375","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H21 N1.5 O6 P1.5 -","- C27 H21 N1.5 O6 P1.5 -","- C108 H84 N6 O24 P6 -","4","1","","Abbassi, Leïla; Chabre, Yoann M.; Kottari, Naresh; Arnold, Alexandre A.; André, Sabine; Josserand, Johan; Gabius, Hans-Joachim; Roy, René","Multifaceted glycodendrimers with programmable bioactivity through convergent, divergent, and accelerated approaches using polyfunctional cyclotriphosphazenes","Polym. Chem.","2015","6","44","7666","","10.1039/C5PY01283J","","","0.71073","MoKα","","0.0366","0.031","","","0.0667","0.0693","","","","","","1.022","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530751","7.328","","11.447","","6.822","","90","","141.98","","90","","352.472","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Pb Ge4 O9","","- Ge4 O9 Pb -","- Ge4 O9 Pb -","- Ge8 O18 Pb2 -","2","0.5","","Shashkov, A.Yu.; Rannev, N.V.; Venevtsev, Yu.N.","The crystal structure of lead gamma-tetragermanate","Zhurnal Neorganicheskoi Khimii","1981","26","","2926","2928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530790","19.3611","","3.625","","4.1215","","90","","90.617","","90","","289.247","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","V3.6 Mo2.4 O16","","- Mo2.4 O16 V3.6 -","- Mo2.4 O16 V3.6 -","- Mo2.4 O16 V3.6 -","1","0.25","","Slade, R.C.T.; West, B.C.; Ramanan, A.; Prince, E.","The Structure of V9 Mo6 O40 Determined by Powder Neutron Diffraction","Journal of Solid State Chemistry","1989","82","","65","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","155996","2020-10-21","18:00:00",""
"1531045","16.8074","0.0019","10.9989","0.0012","16.649","0.002","90","","92.018","0.003","90","","3075.9","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38.5 H29 Cl O4 -","- C38.5 H29 Cl O4 -","- C154 H116 Cl4 O16 -","4","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","0.71073","MoKα","","0.0758","0.054","","","0.1364","0.1527","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1532212","11.455","","6.675","","9.36","","90","","93.68","","90","","714.21","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Na2 Ba2 (B10 O17 (O H)2)","","- B10 Ba2 H2 Na2 O19 -","- B10 Ba2 H2 Na2 O19 -","- B20 Ba4 H4 Na4 O38 -","2","0.5","","Vinogradova, S.A.; Arakcheeva, A.V.; Pushcharovskii, D.Yu.; Dimitrova, O.V.","Crystal structure of new decaborate Na2 Ba2 (B10 O17 (O H)2)","Kristallografiya","2002","47","","30","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532294","20.567","","6.177","","8.257","","90","","109.18","","90","","990.761","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(K3 (S O4) (H S O4)) (H F)2","","- F2 H3 K3 O8 S2 -","- F2 H3 K3 O8 S2 -","- F8 H12 K12 O32 S8 -","4","1","","Troyanov, S.I.; Kosterina, E.V.; Kemnitz, E.","Synthesis and crystal structure of adducts of alkali metal salts and (H F) -(K3 (S O4) (H S O4)) * 2(H F), (Cs H2 P O3) * (H F) and Cs4 (Se O4) (H Se O4)2 * (H F) with F - H...O type hydrogen bonds","Zhurnal Neorganicheskoi Khimii","2001","46","","1496","1502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532467","26.261","0.003","5.162","0.0004","9.7804","0.001","90","","111.188","0.012","90","","1236.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H7 F2 N3 O3 S -","- C11 H7 F2 N3 O3 S -","- C44 H28 F8 N12 O12 S4 -","4","1","","Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan","A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells","Chem. Sci.","2016","7","1","256","","10.1039/C5SC02431E","","","1.54178","CuKα","","0.0308","0.0293","","","0.0848","0.0857","","","","","","1.088","","","","has coordinates","175922","2020-10-21","18:00:00",""
"1534018","12.862","","11.205","","8.141","","90","","107.4","","90","","1119.58","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Na4 (Ge Se4) (H2 O)14","","- Ge H28 Na4 O14 Se4 -","- Ge H28 Na4 O14 Se4 -","- Ge2 H56 Na8 O28 Se8 -","2","0.5","","Krebs, B.; Jacobsen, H.J.","Darstellung und Struktur von Na4 Ge Se4 (H2 O)14","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","421","","97","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534159","9.242","","3.526","","6.574","","90","","111.55","","90","","199.254","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Zn V2 O6","","- O6 V2 Zn -","- O6 V2 Zn -","- O12 V4 Zn2 -","2","0.5","","Angenault, J.; Rimsky, A.","Structure cristalline de la phase Zn V2 O6","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","267","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534170","37.53999","","3.832","","21.17999","","90","","91.92","","90","","3045.1","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Nb31 O77 F","","- F Nb31 O77 -","- F0.9984 Nb31 O77.0016 -","- F1.9968 Nb62 O154.003 -","2","0.5","","Astroem, A.","The crystal structure of Nb31 O77 F and Nb17 O42 F","Acta Chemica Scandinavica (1-27,1973-42,1988)","1966","20","","969","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534348","33.5582","0.0015","7.4109","0.0003","14.7554","0.0007","90","","97.8284","0.0018","90","","3635.4","0.3","123","","123","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C160 H256 O24 -","8","2","","Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.","Labdane and Clerodane Diterpenoids from Colophospermum mopane.","Journal of natural products","2015","78","10","2494","2504","10.1021/acs.jnatprod.5b00729","","","1.54178","CuKα","","0.0349","0.0347","","0.0333","0.0323","0.0322","","","","","","0.9679","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534749","5.216","","9.005","","10.084","","90","","100.72","","90","","465.38","","","","","","","","","","","","","8","C 1 2 1","C 2y","5","","K (Al1.13 Li1.48 Mg0.39) (Al0.57 Si3.43 O10) (F1.62 (O H)0.38)","","- Al1.7 F1.62 H0.38 K Li1.48 Mg0.39 O10.38 Si3.43 -","- Al1.7 F1.62 K Li1.48 Mg0.39 O10.38 Si3.43 -","- Al3.4 F3.24 K2 Li2.96 Mg0.78 O20.76 Si6.86 -","2","0.5","","Backhaus, K.O.","Structure refinement of an 1 M-Lepidolite","Crystal Research and Technology","1983","18","","1253","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535456","5.262","","9.102","","10.094","","90","","100.83","","90","","474.839","","","","","","","","","","","","","9","C 1 2 1","C 2y","5","","K2 (Li2.54 Mn Al1.96 Fe0.24) (Si6.68 Al1.32 O20) (F3.16 O0.84 H1.08)","","- Al3.28 F3.16 Fe0.24 H1.08 K2 Li2.54 Mn O20.84 Si6.68 -","- Al3.28 F3.16 Fe0.24 K2 Li2.54 Mn O20.84 Si6.68 -","- Al3.28 F3.16 Fe0.24 K2 Li2.54 Mn O20.84 Si6.68 -","1","0.25","","Mizota, T.; Kato, T.; Harada, K.","The crystal structure of masutomilite, Mn analogue of zinnwaldite","Mineralogical Journal (Japan)","1986","13","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535706","13.308","","7.5935","","13.842","","90","","118.73","","90","","1226.59","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Na1.24 (Ga1.2 Sn0.81) Se4","","- Ga1.2 Na1.24 Se4 Sn0.81 -","- Ga1.202 Na1.24 Se4 Sn0.798 -","- Ga7.212 Na7.44 Se24 Sn4.788 -","6","1.5","","Hwang Seong-Ju; Iyer, R.G.; Kanatzidis, M.","Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A= K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4","Journal of Solid State Chemistry","2004","177","","3640","3649","","","","","","","","","","","","","","","","","","","","","","has coordinates","163155","2020-10-21","18:00:00",""
"1535738","22.339","","3.775","","7.249","","90","","97.61","","90","","605.922","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","U Nb6 O16","","- Nb6 O16 U -","- Nb6 O16 U -","- Nb12 O32 U2 -","2","0.5","","Busch, J.; Hoffmann, G.; Gruehn, R.","Darstellung, Kristallstruktur und elektronenmikroskopische Untersuchung von U Nb6 O16 - einem neuen niobreichen Oxid im System U/Nb/O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1056","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535749","8.994","","8.629","","6.511","","90","","113.39","","90","","463.789","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs Mn (H P3 O10)","","- Cs H Mn O10 P3 -","- Cs H Mn O10 P3 -","- Cs2 H2 Mn2 O20 P6 -","2","0.5","","Murashova, E.V.; Chudinova, N.N.","Crystal structure of double triphosphate Cs Mn H P3 O10","Kristallografiya","1995","40","","476","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535990","19.398","","3.629","","4.117","","90","","90.34","","90","","289.813","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Mo V2 O8","","- Mo O8 V2 -","- Mo O8 V2 -","- Mo2 O16 V4 -","2","0.5","","Eick, H.A.; Kihlborg, L.","The crystal structure of V2 Mo O8","Acta Chemica Scandinavica (1-27,1973-42,1988)","1966","20","","1658","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536791","14.59","","7.769","","5.141","","90","","93.28","","90","","581.776","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Sr2 Ba Mn2 O2 (Si O3)4","","- Ba Mn2 O14 Si4 Sr2 -","- Ba Mn2 O14 Si4 Sr2 -","- Ba2 Mn4 O28 Si8 Sr4 -","2","0.5","","Yamnova, N.A.; Pushcharovskii, D.Yu.; Kalacheva, L.V.; Kalinin, V.V.","Crystal structure of taikanite Sr2 Ba Mn2 (Si4 O12) O2","Kristallografiya","1992","37","","613","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536857","53.83","","9.972","","6.907","","90","","96.78","","90","","3681.7","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Na16 (Si4 O6 (O H)5)2 (Si8 O15 (O H)6) (O H)10 (H2 O)28","","- H82 Na16 O81 Si16 -","- Na16 O81 Si16 -","- Na32 O162 Si32 -","2","0.5","","Rastsvetaeva, R.K.; Yamnova, N.A.; Mikheeva, M.G.; Pushcharovskii, D.Yu.; Khomyakov, A.P.","Crystal structure of revdite Na16 (Si4 O6 (OH)5)2 (Si8 O15 (O H)6) (O H)10 (H2 O)28.","Kristallografiya","1992","37","","1177","1184","","","","","","","","","","","","","","","","","","","","","","has coordinates","164745","2020-10-21","18:00:00",""
"1537094","5.282","","9.141","","10.11","","90","","101.18","","90","","478.875","","","","","","","","","","","","","7","C 1 2 1","C 2y","5","","K.9 (Li.20 Fe.92 Al1.2) (Al.82 Si3.18 O10) (O H)2","","- Al2.02 Fe0.92 H2 K0.9 Li0.2 O12 Si3.18 -","- Al2.02 Fe0.92 H2 K0.9 Li0.2 O12 Si3.18 -","- Al4.04 Fe1.84 H4 K1.8 Li0.4 O24 Si6.36 -","2","0.5","","Zhukhlistov, A.P.; Shuriga, T.N.; Zvyagin, B.B.","Electron-.diffraction investigation fo the crystal structure of di-trioctahedral Li, Fe-phengite 1M","Kristallografiya","1983","28","","874","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537346","8.533","","8.508","","9.107","","90","","100.05","","90","","651.012","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","K2 (Mo O F5) (H2 O)","","- F5 H2 K2 Mo O2 -","- F5 K2 Mo O2 -","- F20 K8 Mo4 O8 -","4","1","","Grandjean, D.; Weiss, R.","Etude structurale des complexes oxofluores et oxoperoxofluores du molybdene V et VI. IV. - Structure cristalline de l'oxopentafluoromolybdate de potassium a une molecule d'eau","Bulletin de la Societe Chimique de France (Vol=Year)","1967","1967","","3054","3058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537460","10.887","","5.827","","8.132","","90","","103.83","","90","","500.926","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Hg2 P2 S7 -","- Hg2 P2 S7 -","- Hg4 P4 S14 -","2","0.5","","Jandali, M.Z.; Eulenberger, G.; Hahn, H.","Darstellung und Kristallstruktur des Quecksilber(II)-Thiodiphosphats Hg2 P2 S7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","445","","184","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537546","9.412","","3.643","","6.767","","90","","112","","90","","215.131","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Mn.47 V.94 Mo1.06 O6","","- Mn0.47 Mo1.06 O6 V0.94 -","- Mn0.47 Mo1.06 O6 V0.94 -","- Mn0.94 Mo2.12 O12 V1.88 -","2","0.5","","Kozlowski, R.; Stadnicka, K.","Defect Structures in the Brannerite-Type Vanadates. IV. The Crystal Structure of Mn1-x ()x V2-2x Mo2x O6, x =.53","Journal of Solid State Chemistry","1981","39","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","165771","2020-10-21","18:00:00",""
"1538417","24.4","","7.44","","3.95","","90","","90","","90","","717.067","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","W V2 O7","","- O7 V2 W -","- O7.16667 V2 W -","- O43 V12 W6 -","6","1.5","","Mondet, S.; Rimsky, A.; Borene, J.; Freundlich, W.","Structure cristalline de la phase W V2 O7","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","1145","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539746","24.58","","9.2","","12.14","","90","","93.97","","90","","2738.7","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Nd2 (P6 O18) (H2 O)6","","- H12 Nd2 O24 P6 -","- Nd2 O24 P6 -","- Nd8 O96 P24 -","4","1","","Elmokhtar, O.S.M.; Rzaigui, M.","Preparation, characterization and crystal structure of neodymium cyclohexaphosphate hexahydrate: Nd2 P6 O18 . 6 (H2 O)","Bulletin des Societes chimiques Belges","1996","105","","307","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","168760","2020-10-21","18:00:00",""
"1540067","12.9458","","5.4271","","11.4568","","90","","151.71","","90","","381.486","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- Ni5 Sb2 -","- Ni5 Sb2 -","- Ni20 Sb8 -","4","1","","Heinrich, S.; Rexer, H.U.; Schubert, K.","Kristallstruktur von Ni5 Sb2","Journal of the Less-Common Metals","1978","60","","65","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540477","14.0792","0.0009","6.7979","0.0003","17.748","0.0008","90","","95.958","0.003","90","","1689.47","0.15","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0374","0.0359","","","0.1012","0.1029","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540532","35.188","0.007","7.4837","0.0015","16.526","0.003","90","","98.87","0.03","90","","4299.9","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N O5 -","- C47 H65 N O5 -","- C188 H260 N4 O20 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.1218","0.0992","","","0.2153","0.2303","","","","","","1.051","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540622","19.9301","0.0018","11.6169","0.001","12.0116","0.0011","90","","106.035","0.002","90","","2672.8","0.4","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H20 Cl F3 N2 O3 -","- C27 H20 Cl F3 N2 O3 -","- C108 H80 Cl4 F12 N8 O12 -","4","1","","Zhou, Ding; Huang, Zheng; Yu, Xueting; Wang, Youxin; Li, Jian; Wang, Wei; Xie, Hexin","A Quinine-Squaramide Catalyzed Enantioselective Aza-Friedel-Crafts Reaction of Cyclic Trifluoromethyl Ketimines with Naphthols and Electron-Rich Phenols.","Organic letters","2015","17","22","5554","5557","10.1021/acs.orglett.5b02668","","","0.71073","MoKα","","0.051","0.0413","","","0.099","0.1038","","","","","","1.035","","","","has coordinates","170770","2020-10-21","18:00:00",""
"1540693","19.477","0.002","24.208","0.002","13.2882","0.0016","90","","131.418","0.006","90","","4698.4","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H45 Cl9 N6 O6 -","- C39 H43.5 Cl9 N6 O6 -","- C156 H174 Cl36 N24 O24 -","4","1","","Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy","Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.","Organic letters","2016","18","1","12","15","10.1021/acs.orglett.5b02989","","","0.71073","MoKα","","0.1054","0.0844","","","0.1825","0.1957","","","","","","1.034","","","","has coordinates,has disorder","175824","2020-10-21","18:00:00",""
"1540694","19.47","0.003","24.1563","0.0014","13.2943","0.0017","90","","131.46","0.02","90","","4685.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H45 Cl9 N6 O6 -","- C39 H44 Cl9 N6 O6 -","- C156 H176 Cl36 N24 O24 -","4","1","","Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy","Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.","Organic letters","2016","18","1","12","15","10.1021/acs.orglett.5b02989","","","0.71073","MoKα","","0.1077","0.0864","","","0.1773","0.1961","","","","","","1.009","","","","has coordinates,has disorder","175824","2020-10-21","18:00:00",""
"1540867","5.396","","5.661","","22.195","","90","","90.19","","90","","677.982","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- Ho S -","- Ho S -","- Ho4 S4 -","4","1","","van Smaalen, S.; Petricek, V.","Refinement of incommensurate structures against diffraction data from a twinned crystal","Journal of Alloys Compd.","1992","178","","369","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540868","3.312","","5.661","","22.25","","90","","93.03","","90","","416.587","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- Nb S2 -","- Nb S2 -","- Nb2 S4 -","2","0.5","","van Smaalen, S.; Petricek, V.","Refinement of incommensurate structures against diffraction data from a twinned crystal","Journal of Alloys Compd.","1992","178","","369","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541091","5.926","","10.917","","6.718","","90","","104.4","","90","","420.961","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Li2 Ni (P2 S6)","","- Li2 Ni P2 S6 -","- Li2 Ni P2 S6 -","- Li4 Ni2 P4 S12 -","2","0.5","","Patel, S.N.; Balchin, A.A.","Preparation and structural studies of lithium-substituted nickel phosphorus trisulphide, Li2 Ni P2 S6","Solid State Ionics","1986","20","","223","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541108","19.604","","5.339","","16.038","","90","","136.05","","90","","1165.02","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Re2 Sc3 Si3 -","- Re2 Sc3 Si3 -","- Re16 Sc24 Si24 -","8","2","","Pecharskii, V.K.; Gladyshevskii, E.I.; Bodak, O.I.","Crystal structure of Sc Re2 Si3 and Sc3 Re2 Si3","Soviet Physics, Crystallography (= Kristallografiya)","1979","24","","433","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541127","18.9","","7.066","","14.17","","90","","115.4","","90","","1709.44","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ca (Re O4)2 (H2 O)2","","- Ca H4 O10 Re2 -","- Ca H4 O10 Re2 -","- Ca8 H32 O80 Re16 -","8","2","","Picard, J.P.; Besse, J.P.; Chevalier, R.; Gasperin, M.","Structure cristalline de Ca (Re O4)2 (H2 O)2","Journal of Solid State Chemistry","1987","69","","380","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1541209","5.52","","7.739","","8.426","","90","","98.99","","90","","355.531","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Pd5 As","","- As Pd5 -","- As Pd5 -","- As4 Pd20 -","4","1","","Matkovic, T.; Schubert, K.","Kristallstruktur von Pd5 As UND Pd5 Ge","Journal of the Less-Common Metals","1978","58","","P1","P5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541353","26.856","","5.38","","26.908","","90","","113.55","","90","","3564","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Bi10 Sr10 Cu5 O29","","- Bi10 Cu5 O29 Sr10 -","- Bi10 Cu5 O29 Sr10 -","- Bi40 Cu20 O116 Sr40 -","4","1","","Onoda, M.; Sato, M.","Superlattice structure of superconducting Bi-Sr-Cu-O system","Solid State Communications","1988","67","","799","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","172659","2020-10-21","18:00:00",""
"1541751","12.912","","14.605","","7.4494","","90","","121.493","","90","","1197.88","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","(Ru (N O2)4 (C O) (H2 O)) Cl2 (H2 O)2","","- C H6 Cl2 N4 O12 Ru -","- C Cl2 N4 O12 Ru -","- C4 Cl8 N16 O48 Ru4 -","4","1","","Wang, W.-Z.; Liu, X.; Liao, D.-Z.; Jiang, Z.-H.; Yan, S.-P.; Wang, G.-L.","Synthesis and structure of an unusual carbonyl ruthenium(II) complex containing neutral N O2 as ligand : (Ru (N O2)4 (C O) (H2 O)) Cl2 * 2(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1585","1588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541930","18.2404","0.0007","22.7636","0.0007","14.3542","0.0005","90","","126.449","0.003","90","","4794.2","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","[Ni(ethylendiamine)3]3{V15Sb6O42(H2O)}*9H2O","'[Ni(C2H8N2)3]3{V15Sb6O42(H2O)}*9H2O'","","- C18 H92 N18 Ni3 O52 Sb6 V15 -","- C18 H72 N18 Ni3 O52 Sb6 V15 -","- C36 H144 N36 Ni6 O104 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0454","0.0385","","","0.0923","0.0951","","","","","","1.024","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541931","18.2302","0.0014","22.6142","0.0016","14.4067","0.0011","90","","126.36","0.007","90","","4783","0.8","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Co(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Co(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Co3 N18 O51 Sb6 V15 -","- C18 H72 Co3 N18 O51 Sb6 V15 -","- C36 H144 Co6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0533","0.0453","","","0.1149","0.1187","","","","","","1.045","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541932","18.1991","0.0004","22.626","0.0006","14.3614","0.0003","90","","126.193","0.001","90","","4772.5","0.2","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Fe(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Fe(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Fe3 N18 O51 Sb6 V15 -","- C18 H72 Fe3 N18 O51 Sb6 V15 -","- C36 H144 Fe6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0361","0.0324","","","0.0754","0.0768","","","","","","1.058","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1542175","11.48","","7.44","","10.75","","90","","101.25","","90","","900.528","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(Ru (N H3)4 (N O) (O H)) Cl2","","- Cl2 H13 N5 O2 Ru -","- Cl2 H13 N5 O2 Ru -","- Cl8 H52 N20 O8 Ru4 -","4","1","","Bokii, G.B.; Parpiev, N.A.","X-ray structural analysis of crystals of Ru (N H3)4 (N O) (O H) Cl2","Kristallografiya","1957","2","","691","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542556","36.3783","0.0008","14.6755","0.0002","31.2278","0.0006","90","","103.184","0.002","90","","16232.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H131.15 I12 N24 O15.14 Zn6 -","- C132.785 H131.15 I12 N24 O15.14 Zn6 -","- C531.14 H524.6 I48 N96 O60.56 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","x-ray","1.54184","CuKα","","0.0562","0.0511","","","0.1352","0.1396","","","","","","1.039","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542557","34.7707","0.0006","14.8406","0.0003","31.2152","0.0005","90","","102.601","0.002","90","","15719.6","0.5","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134.29 H138.92 I12 N24 O8.41 Zn6 -","- C134.295 H138.93 I12 N24 O8.415 Zn6 -","- C537.18 H555.72 I48 N96 O33.66 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","1.54184","CuKα","","0.0935","0.0788","","","0.2091","0.2259","","","","","","1.005","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542617","15.791","0.003","5.0056","0.0006","16.133","0.003","90","","122.52","0.02","90","","1075.3","0.4","293","2","293","2","","","","","","","Synthesized","4","C 1 2 1","C 2y","5","","","","- C9 H10 N3 O5 -","- C9 H10 N3 O5 -","- C36 H40 N12 O20 -","4","1","","Dixit, Manish Kumar; Pandey, Vinay Kumar; Dubey, Mrigendra","Alkali base triggered intramolecular charge transfer metallogels based on symmetrical A-π-D-chiral-D-π-A type ligands.","Soft matter","2016","12","15","3622","3630","10.1039/c6sm00372a","","","0.71073","MoKα","","0.086","0.0554","","","0.1116","0.1324","","","","","","1.038","","","","has coordinates","182805","2020-10-21","18:00:00",""
"1542620","11.4484","0.0005","18.1806","0.001","25.8417","0.0012","90","","98.082","0.004","90","","5325.2","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H43 O5.5 -","- C27 H42 O5.25 -","- C216 H336 O42 -","8","2","","Liu, Zhaoming; Chen, Yan; Chen, Senhua; Liu, Yayue; Lu, Yongjun; Chen, Dongni; Lin, Yongcheng; Huang, Xishan; She, Zhigang","Aspterpenacids A and B, Two Sesterterpenoids from a Mangrove Endophytic Fungus Aspergillus terreus H010.","Organic letters","2016","18","6","1406","1409","10.1021/acs.orglett.6b00336","","","1.54178","CuKα","","0.1294","0.1006","","","0.2739","0.3189","","","","","","1.182","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542683","27.2716","0.0008","10.7113","0.0003","11.2422","0.0003","90","","90.5644","0.0009","90","","3283.85","0.16","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H36 Br N2 O4.5 S -","- C36 H36 Br N2 O4.5 S -","- C144 H144 Br4 N8 O18 S4 -","4","1","","Wang, Shoulei; Rodriguez-Escrich, Carles; Pericàs, Miquel A","H-Bond-Directing Organocatalyst for Enantioselective [4 + 2] Cycloadditions via Dienamine Catalysis.","Organic letters","2016","18","3","556","559","10.1021/acs.orglett.5b03575","","","0.71073","MoKα","","0.0443","0.0343","","","0.0693","0.0724","","","","","","1.054","","","","has coordinates,has disorder","177333","2020-10-21","18:00:00",""
"1543025","13.4613","0.0005","9.1617","0.0004","23.4678","0.0009","90","","93.249","0.002","90","","2889.6","0.2","133","2","133","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0379","0.0351","","","0.0896","0.0916","","","","","","1.03","","","","has coordinates","182530","2020-10-21","18:00:00",""
"1543378","21.1345","0.0007","7.5878","0.0004","19.4577","0.0008","90","","113.067","0.002","90","","2870.8","0.2","115","2","115","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C65 H58 Cl2 O4 P4 -","- C65 H58 Cl2 O4 P4 -","- C130 H116 Cl4 O8 P8 -","2","0.5","","Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain","Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01275","","x-ray","0.71073","MoKα","","0.0444","0.0414","","","0.087","0.09","","","","","","1.078","","","","has coordinates","183190","2020-10-21","18:00:00",""
"1543432","18.9522","0.0004","12.8653","0.0002","33.3636","0.001","90","","96.738","0.002","90","","8078.7","0.3","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H17 N3 O3 S -","- C21 H17 N3 O3 S -","- C336 H272 N48 O48 S16 -","16","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0673","0.0536","","","0.1371","0.1486","","","","","","1.069","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543712","48.8875","0.0019","6.1721","0.0002","13.7803","0.0005","90","","103.831","0.003","90","","4037.5","0.3","100","2","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C89 H98 Cl2 N8 O8 P2 S2 -","- C89 H98 Cl2 N8 O8 P2 S2 -","- C178 H196 Cl4 N16 O16 P4 S4 -","2","0.5","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0517","0.0488","","","0.1288","0.1311","","","","","","1.042","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543787","19.7969","0.0005","12.4055","0.0003","14.0366","0.0003","90","","122.117","0.001","90","","2919.7","0.12","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26.25 H28.5 Cl0.5 F7 N3 O S -","- C26.25 H28.5 Cl0.5 F7 N3 O S -","- C105 H114 Cl2 F28 N12 O4 S4 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0617","0.0588","","","0.1695","0.1736","","","","","","1.081","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543789","19.631","0.0019","12.4696","0.0012","14.2862","0.0014","90","","122.586","0.0014","90","","2946.6","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H36 F6 N3 O S -","- C29 H36 F6 N3 O S -","- C116 H144 F24 N12 O4 S4 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","0.71073","MoKα","","0.0535","0.0477","","","0.1281","0.1333","","","","","","1.04","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543799","21.15","0.01","4.978","0.003","24.55","0.011","90","","104.86","0.03","90","","2498","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","1","","Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa","Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision.","Organic letters","2016","18","13","3178","3181","10.1021/acs.orglett.6b01395","","","0.71073","MoKα","","0.1345","0.0834","","","0.1716","0.1956","","","","","","1.07","","","","has coordinates,has disorder","184883","2020-10-21","18:00:00",""
"1543800","28.205","0.007","5.7857","0.0014","17.974","0.004","90","","91.077","0.004","90","","2932.6","1.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H38 N4 O7 -","- C30 H38 N4 O7 -","- C120 H152 N16 O28 -","4","1","","Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa","Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision.","Organic letters","2016","18","13","3178","3181","10.1021/acs.orglett.6b01395","","","0.71073","MoKα","","0.1443","0.0817","","","0.1554","0.1807","","","","","","0.958","","","","has coordinates","184885","2020-10-21","18:00:00",""
"1543861","9.6233","0.0012","5.2274","0.0006","22.877","0.003","90","","100.764","0.004","90","","1130.6","0.2","365","2","365","2","","","","","","","","4","C 1 2 1","C 2y","5","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0735","0.0473","","","0.0933","0.1028","","","","","","1.167","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543866","9.589","0.004","5.2054","0.0019","14.698","0.007","90","","104.77","0.005","90","","709.4","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0535","0.0388","","","0.1034","0.1154","","","","","","1.095","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543867","28.516","0.005","5.2346","0.001","32.233","0.006","90","","116.25","","90","","4315.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C144 H312 N24 O48 -","24","6","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1912","0.0813","","","0.1712","0.2193","","","","","","1.026","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543868","9.5327","0.0007","5.2545","0.0004","14.959","0.001","90","","97.628","0.002","90","","742.66","0.09","210","2","210","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0486","0.0362","","","0.0747","0.0785","","","","","","1.122","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543869","9.5633","0.0015","5.2287","0.0009","15.674","0.003","90","","93.695","0.005","90","","782.1","0.2","330","2","330","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0911","0.051","","","0.1148","0.1294","","","","","","1.1","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543870","9.6033","0.0015","5.2223","0.0008","15.983","0.003","90","","90.916","0.005","90","","801.5","0.2","380","2","380","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1703","0.0708","","","0.1572","0.1885","","","","","","1.092","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543871","9.648","0.009","5.252","0.005","16.561","0.016","90","","103.11","0.02","90","","817.3","1.3","405","2","405","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.2466","0.0974","","","0.1571","0.2054","","","","","","1.081","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1544172","28.082","0.004","9.2623","0.0011","12.2258","0.0016","90","","99.923","0.007","90","","3132.4","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0483","0.0384","","","0.0984","0.1063","","","","","","1.021","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544385","35.1845","0.0011","14.8561","0.0002","31.0855","0.0008","90","","101.739","0.003","90","","15908.7","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 -","- C114.69 H129.66 Br0.465 Cl3.141 I12 N24 O0.93 Zn6 -","- C458.76 H518.64 Br1.86 Cl12.564 I48 N96 O3.72 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","x-ray","1.54184","CuKα","","0.0762","0.0542","","","0.165","0.1894","","","","","","1.027","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544386","35.2593","0.0005","14.8434","0.0001","31.0697","0.0004","90","","101.611","0.001","90","","15928.1","0.3","93","2","93","2","","","","","","","","8","C 1 2 1","C 2y","5","","Cycloelatanene B with ZnI2-TPT crystalline sponge","","- C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 -","- C118.68 H134.52 Br0.8549 Cl0.8549 I12 N24 O1.7098 Zn6 -","- C474.718 H538.08 Br3.4196 Cl3.4196 I48 N96 O6.8392 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","","0.71073","MoKα","","0.0435","0.034","","","0.0937","0.0997","","","","","","1.034","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544658","19.385","0.003","16.22","0.003","10.9215","0.0015","90","","107.035","0.018","90","","3283.3","1","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H36 Cl2 Ir O2 P -","- C39 H36 Cl2 Ir O2 P -","- C156 H144 Cl8 Ir4 O8 P4 -","4","1","","Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin","Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.","Chemical science","2017","8","3","1977","1980","10.1039/c6sc03764j","","","0.71073","MoKα","","0.0321","0.0317","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has disorder","196368","2020-10-21","18:00:00",""
"1544723","41.529","0.0014","8.6149","0.0003","11.037","0.007","90","","100.788","0.007","90","","3879","2","193","2","193","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H46.5 O12.25 -","- C38 H44 O12 -","- C152 H176 O48 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc","Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity.","Journal of natural products","2016","79","11","2873","","10.1021/acs.jnatprod.6b00644","","","1.54187","CuKα","","0.0823","0.0483","","","0.1169","0.1512","","","","","","1.022","","","","has coordinates","188878","2020-10-21","18:00:00",""
"1544812","18.983","0.007","6.635","0.002","28.718","0.011","90","","101.14","0.004","90","","3549","2","173.15","","173.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H12 F4 S2 -","- C22 H12 F4 S2 -","- C176 H96 F32 S16 -","8","2","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.0526","0.0488","","","0.0999","0.1027","","","","","","1.106","","","","has coordinates,has disorder","191767","2020-10-21","18:00:00",""
"1544949","24.87","0.0006","6.6662","0.0001","13.8578","0.0003","90","","107.661","0.002","90","","2189.18","0.08","173","0.3","173","0.3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H12.5 O4.25 -","- C12 H12.5 O4.25 -","- C96 H100 O34 -","8","2","","Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03264","","","1.54178","CuKα","","0.0341","0.0328","","","0.0873","0.0883","","","","","","1.083","","","","has coordinates","217633","2020-10-21","18:00:00",""
"1544950","24.2191","0.0004","14.0289","0.0002","18.017","0.0002","90","","103.396","0.0013","90","","5955.03","0.15","173","0.1","173","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C64 H84 O14 -","- C64 H84 O14 -","- C256 H336 O56 -","4","1","","Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03264","","x-ray","1.54184","CuKα","","0.0503","0.0481","","","0.13","0.1328","","","","","","1.039","","","","has coordinates,has disorder","189705","2020-10-21","18:00:00",""
"1545009","20.881","0.003","7.2139","0.0011","7.1436","0.0011","90","","95.201","0.004","90","","1071.6","0.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H13 O5.5 -","- C11 H13 O5.5 -","- C44 H52 O22 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0503","0.0501","","","0.1291","0.1293","","","","","","1.08","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545092","19.2401","0.0006","7.48163","0.00017","19.9656","0.0006","90","","104.461","0.003","90","","2782.94","0.14","140","0.1","140","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0833","0.0852","","","","","","1.034","","","","has coordinates","193750","2020-10-21","18:00:00",""
"1545096","23.434","0.0011","10.7208","0.0005","10.6091","0.0005","90","","95.3448","0.0014","90","","2653.7","0.2","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H32 Br N3 O P2 Pd -","- C25 H32 Br N3 O P2 Pd -","- C100 H128 Br4 N12 O4 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0234","0.0229","","","0.0562","0.0566","","","","","","1.076","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545164","18.9838","0.0007","9.0762","0.0003","9.3006","0.0003","90","","97.114","0.002","90","","1590.16","0.09","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Li, Tian-Ze; Geng, Chang-An; Yin, Xiu-Juan; Yang, Tong-Hua; Chen, Xing-Long; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Chen, Ji-Jun","Catalytic Asymmetric Total Synthesis of (+)- and (−)-Paeoveitol via a Hetero-Diels‒Alder Reaction","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03801","","","1.54178","CuKα","","0.1481","0.1469","","","0.3267","0.3289","","","","","","1.582","","","","has coordinates","190992","2020-10-21","18:00:00",""
"1545171","32.711","0.005","5.6403","0.0007","9.9643","0.0013","90","","107.296","0.003","90","","1755.3","0.4","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","Tsuchida-02","","","- C20 H17 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0496","0.0396","","","0.0972","0.1313","","","","","","1.241","","","","has coordinates","193647","2020-10-21","18:00:00",""
"1545182","22.6093","0.001","14.7125","0.001","9.0155","0.0005","90","","90.415","0.001","90","","2998.8","0.3","100","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H35 K1.5 Np1.5 O0.5 -","- C32 H30 K1.5 Np1.5 O0.5 -","- C128 H120 K6 Np6 O2 -","4","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0399","0.033","","","0.0753","0.0783","","","","","","1.062","","","","has coordinates,has disorder","195014","2020-10-21","18:00:00",""
"1545199","28.4985","0.0009","11.4777","0.0004","9.0995","0.0003","90","","103.188","0.001","90","","2897.92","0.17","215","2","215","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 Cl N O -","- C16 H16 Cl N O -","- C128 H128 Cl8 N8 O8 -","8","2","","Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.","Desulfurative Chlorination of Alkyl Phenyl Sulfides.","Organic letters","2017","19","4","918","921","10.1021/acs.orglett.7b00077","","","1.54178","CuKα","","0.0438","0.0423","","","0.1148","0.1166","","","","","","1.061","","","","has coordinates,has disorder","193644","2020-10-21","18:00:00",""
"1545283","28.835","0.008","6.5931","0.0018","9.909","0.003","90","","105.373","0.006","90","","1816.4","0.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O11 -","- C15 H18 O11 -","- C60 H72 O44 -","4","1","","Su, Lu; Khan, Sarosh; Fan, Jingwei; Lin, Yen-Nan; Wang, Hai; Gustafson, Tiffany P.; Zhang, Fuwu; Wooley, Karen L.","Functional sugar-based polymers and nanostructures comprised of degradable poly(d-glucose carbonate)s","Polym. Chem.","2017","8","10","1699","","10.1039/C6PY01978A","","","0.71073","MoKα","","0.0608","0.0524","","","0.1502","0.1586","","","","","","1.068","","","","has coordinates","195189","2020-10-21","18:00:00",""
"1545392","16.6466","0.0005","5.644","0.0002","13.4475","0.0004","90","","124.53","0.001","90","","1040.86","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0421","0.0351","","","0.0748","0.0779","","","","","","1.079","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545395","16.3801","0.0005","5.9374","0.0002","13.2895","0.0004","90","","123.907","0.001","90","","1072.69","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H18 O3 -","- C11 H18 O3 -","- C44 H72 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0405","0.0343","","","0.0767","0.079","","","","","","1.07","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545472","25.678","0.003","11.0955","0.0007","19.564","0.002","90","","138.94","0.02","90","","3661.3","1.6","102.7","","102.7","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H33 N3 O8 -","- C32 H33 N3 O8 -","- C128 H132 N12 O32 -","4","1","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0735","0.0702","","","0.1987","0.2035","","","","","","1.084","","","","has coordinates","193391","2020-10-21","18:00:00",""
"1546128","34.9084","0.0006","14.9228","0.0002","29.6669","0.0005","90","","101.028","0.002","90","","15169","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C468.24 H417 I48 N100.44 O40.2 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","0.71075","MoKα","","0.0943","0.0604","","","0.1693","0.192","","","","","","1.012","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546129","36.0217","0.0006","14.6919","0.0002","30.6728","0.0007","90","","101.672","0.002","90","","15897.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H138.74 I12 N24 O9.74 Zn6 -","- C132.786 H138.772 I12 N24 O9.74 Zn6 -","- C531.144 H555.088 I48 N96 O38.96 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0749","0.0709","","","0.1984","0.205","","","","","","1.027","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546130","33.9973","0.001","14.9225","0.0003","31.1158","0.0008","90","","101.047","0.003","90","","15493.3","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C100.85 H95.62 Cl11.35 I12.03 N24.48 O2.88 S0.48 Zn6 -","- C100.844 H95.629 Cl11.348 I12.0308 N24.479 O2.874 S0.479 Zn5.999 -","- C403.376 H382.516 Cl45.392 I48.1232 N97.916 O11.496 S1.916 Zn23.996 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54184","CuKα","","0.1099","0.0818","","","0.2226","0.256","","","","","","1.037","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546131","34.869","0.0006","14.9135","0.0001","31.5649","0.0005","90","","102.275","0.002","90","","16039.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C122.98 H117.96 I12 N28 Zn6 -","- C122.98 H117.96 I12 N28 Zn6 -","- C491.92 H471.84 I48 N112 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0768","0.0689","","","0.1946","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546132","36.1897","0.0008","14.6874","0.0002","34.7427","0.0008","90","","109.742","0.002","90","","17381.5","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C136.11 H131.89 I12 N27.41 Zn6 -","- C136.11 H131.89 I12 N27.41 Zn6 -","- C544.44 H527.56 I48 N109.64 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0865","0.0742","","","0.2049","0.2219","","","","","","1.047","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546313","22.549","0.002","5.7466","0.0005","11.4612","0.0012","90","","105.767","0.006","90","","1429.3","0.2","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","Fiaud's acid","(2R,5R)-1-hydroxy-2,5-diphenylphospholane 1-oxide","","- C16 H17 O2 P -","- C16 H17 O2 P -","- C64 H68 O8 P4 -","4","1","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.0442","0.0388","","","0.1013","0.1177","","","","","","1.178","","","","has coordinates","200735","2020-10-21","18:00:00",""
"1546385","28.487","0.004","12.3676","0.0016","8.8225","0.0011","90","","94.05","0.005","90","","3100.5","0.7","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H16 B2 F8 K2 N6 O2 -","- C26 H16 B2 F8 K2 N6 O2 -","- C104 H64 B8 F32 K8 N24 O8 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0368","0.0301","","","0.0588","0.0611","","","","","","1.038","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546527","39.283","0.005","7.0114","0.0009","7.3524","0.0009","90","","94.433","0.002","90","","2019","0.4","297","2","297","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O7.5 -","- C20 H32 O7.5 -","- C80 H128 O30 -","4","1","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0639","0.0602","","","0.1627","0.164","","","","","","1.013","","","","has coordinates,has disorder","200756","2020-10-21","18:00:00",""
"1546645","13.6968","0.0012","12.1053","0.001","9.6353","0.0007","90","","105.17","0.003","90","","1541.9","0.2","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","HB4140","Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","IUCrData","2017","2","5","x170649","","10.1107/S2414314617006496","","","0.71073","MoKα","","0.0933","0.0461","","","0.1117","0.1329","","","","","","1.023","","","","has coordinates,has Fobs","199239","2020-10-21","18:00:00",""
"1546708","25.6622","0.0008","8.7731","0.0003","10.3928","0.0003","90","","101.847","0.001","90","","2289.96","0.13","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C92 H104 N16 O28 -","4","1","BT4048","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170670","","10.1107/S2414314617006708","","","1.54178","CuKα","","0.0257","0.0249","","","0.0634","0.0641","","","","","","1.024","","","","has coordinates,has Fobs","199304","2020-10-21","18:00:00",""
"1546827","25.683","0.0008","8.80488","0.0001","22.6553","0.0007","90","","135.53","0.006","90","","3589","0.4","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C78 H52 B F24 N2 P2 Rh -","- C78 H52 B F24 N2 P2 Rh -","- C156 H104 B2 F48 N4 P4 Rh2 -","2","0.5","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0261","0.0255","","","0.067","0.0675","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546995","18.548","0.004","11.9461","0.0013","18.0773","0.0018","90","","96.376","0.014","90","","3980.7","1","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","Compound 24","","- C17.67 H21.28 Cl1.3 N0.89 O1.78 -","- C17.6724 H21.2813 Cl1.30222 N0.888889 O1.77778 -","- C159.052 H191.532 Cl11.72 N8 O16 -","9","2.25","","Dixon, Darren; Xie, Lan-Gui","Tertiary Amine Synthesis via Reductive Coupling of Amides with Grignard Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03613B","","","1.54184","CuKα","","0.1184","0.0893","","0.2966","0.2241","0.2959","","","","","","1.0347","","","","has coordinates,has disorder","200505","2020-10-21","18:00:00",""
"1547104","18.6435","0.0007","6.1999","0.0002","15.8122","0.0006","90","","90.137","0.003","90","","1827.69","0.11","290.64","0.1","290.64","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H26 Cl O3.5 -","- C19 H26 Cl O3.5 -","- C76 H104 Cl4 O14 -","4","1","","Luo, Weiwei; Lin, Lili; Zhang, Yu; Liu, Xiaohua; Feng, Xiaoming","Construction of Distant Stereocenters by Enantioselective Desymmetrizing Carbonyl-Ene Reaction.","Organic letters","2017","19","13","3374","3377","10.1021/acs.orglett.7b01329","","x-ray","1.54184","CuKα","","0.06","0.0572","","","0.1533","0.1587","","","","","","1.074","","","","has coordinates","200623","2020-10-21","18:00:00",""
"1547128","25.998","0.002","12.1491","0.0011","11.3547","0.0011","90","","103.78","0.005","90","","3483.2","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N O6.5 -","- C17 H24 N O6.5 -","- C136 H192 N8 O52 -","8","2","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0679","0.0625","","","0.1614","0.1682","","","","","","1.116","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547164","65.689","0.008","4.6345","0.0005","21.077","0.002","90","","100.837","0.008","90","","6302.2","1.2","303","2","303","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 F3 N O9 -","- C21 H20 F3 N O9 -","- C252 H240 F36 N12 O108 -","12","3","","Probst, Nicolas; Grelier, Gwendal; Ghermani, NourEddine; Gandon, Vincent; Alami, Mouâd; Messaoudi, Samir","Intramolecular Pd-Catalyzed Anomeric C(sp(3))-H Activation of Glycosyl Carboxamides.","Organic letters","2017","19","19","5038","5041","10.1021/acs.orglett.7b02170","","","1.54178","CuKα","","0.2266","0.1107","","","0.2366","0.2972","","","","","","1.032","","","","has coordinates","202790","2020-10-21","18:00:00",""
"1547361","22.1529","0.0011","9.8472","0.0005","15.6753","0.0008","90","","121.483","0.002","90","","2916.1","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H29 Cl2 I N2 O7 -","- C27 H29 Cl2 I N2 O7 -","- C108 H116 Cl8 I4 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.08","0.065","","","0.1419","0.1517","","","","","","1.06","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547388","19.461","0.002","9.2739","0.0011","20.008","0.002","90","","112.325","0.002","90","","3340.4","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H57 Au Cl O3 P -","- C30 H57 Au Cl O3 P -","- C120 H228 Au4 Cl4 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0805","0.0687","","","0.1694","0.1771","","","","","","1.048","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547562","16.4819","0.0002","5.7733","0.0001","14.4387","0.0002","90","","106.49","0.001","90","","1317.4","0.03","123","0.1","123","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0738","0.0751","","","","","","1.047","","","","has coordinates,has disorder","201713","2020-10-21","18:00:00",""
"1547718","25.016","0.003","9.6759","0.0012","27.415","0.003","90","","116.342","0.002","90","","5946.8","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0809","0.0592","","","0.1651","0.1802","","","","","","1.088","","","","has coordinates","202115","2020-10-21","18:00:00",""
"1547719","25.0155","0.0017","9.6927","0.0007","27.3884","0.0018","90","","116.251","0.0011","90","","5955.9","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0551","0.0491","","","0.1726","0.1792","","","","","","1.064","","","","has coordinates","202116","2020-10-21","18:00:00",""
"1547721","24.9168","0.0019","9.6298","0.0007","27.373","0.003","90","","116.294","0.0013","90","","5888.4","0.9","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C125 H134 N16 O33 Zn4 -","- C125 H104 N16 O33 Zn4 -","- C250 H208 N32 O66 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0495","0.0457","","","0.1463","0.1509","","","","","","1.01","","","","has coordinates,has disorder","202118","2020-10-21","18:00:00",""
"1547722","24.9012","0.0017","9.6416","0.0006","27.3223","0.0018","90","","116.379","0.001","90","","5876.7","0.7","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H140 N16 O32 Zn4 -","- C128 H104 N16 O32 Zn4 -","- C256 H208 N32 O64 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0429","0.0406","","","0.1182","0.1198","","","","","","1.054","","","","has coordinates,has disorder","202119","2020-10-21","18:00:00",""
"1547861","23.9252","0.0005","10.3277","0.0002","12.9767","0.0003","90","","98.8598","0.0007","90","","3168.18","0.12","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H28 Br2 N2 O4.5 -","- C32 H28 Br2 N2 O4.5 -","- C128 H112 Br8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0308","0.0305","","","0.0872","0.0876","","","","","","1.05","","","","has coordinates,has disorder","204887","2020-10-21","18:00:00",""
"1547863","24.0915","0.0005","9.3008","0.0002","12.4495","0.0003","90","","99.6191","0.0006","90","","2750.34","0.11","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31.5 H27 F2 N2 O4.5 -","- C31.5 H27 F2 N2 O4.5 -","- C126 H108 F8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0294","0.0293","","","0.0769","0.0771","","","","","","1.038","","","","has coordinates,has disorder","204887","2020-10-21","18:00:00",""
"1547869","9.1372","0.0002","5.22418","0.00011","17.5119","0.0004","90","","100.011","0.0008","90","","823.19","0.03","","","","","","","","","","","","4","C 1 2 1","C 2y","5","low-pressure CaAl0.5Si0.5O2.75 phase model1","","low-pressure CaAl0.5Si0.5O2.75 phase model1","- Al0.5 Ca O2.75 Si0.5 -","- Al0.5 Ca O2.75 Si0.5 -","- Al8 Ca16 O44 Si8 -","16","4","","Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.","Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.5Si0.5O2.75 phase model1","Physics and Chemistry of Minerals","2017","44","","717","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","206911","2020-10-21","18:00:00",""
"1548478","30.107","0.003","5.8007","0.0005","11.5447","0.001","90","","99.634","0.004","90","","1987.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0615","0.0445","","","0.1123","0.1244","","","","","","0.998","","","","has coordinates","204346","2020-10-21","18:00:00",""
"1549022","25.719","0.007","7.5368","0.0018","11.759","0.003","90","","116.39","0.01","90","","2041.8","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H18 N2 O3 S -","- C27 H18 N2 O3 S -","- C108 H72 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.1027","0.0521","","","0.1205","0.1454","","","","","","0.887","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549048","13.5545","0.0002","5.84781","0.00007","14.1657","0.0002","90","","110.071","0.002","90","","1054.64","0.03","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H32 N2 O6 -","- C22 H32 N2 O6 -","- C44 H64 N4 O12 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0418","0.0337","","","0.0811","0.0864","","","","","","1.05","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549059","22.3684","0.0007","8.4156","0.0001","15.6852","0.0004","90","","130.585","0.005","90","","2242.36","0.19","160","","160","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H46 N4 O16 Sb2 -","- C42 H46 N4 O16 Sb2 -","- C84 H92 N8 O32 Sb4 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0458","0.0453","","0.1194","0.1189","0.1194","","","","","","0.9417","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549449","16.136","0.0004","6.585","0.0002","10.538","0.0004","90","","125.15","0.0013","90","","915.54","0.05","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás","Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine","Journal of Molecular Structure","2004","697","1-3","65","","10.1016/j.molstruc.2004.03.022","","","0.7107","MoKα","","0.0925","0.0547","","0.1793","0.1464","","","","1.038","1.079","1.079","","","","","has coordinates","207931","2020-10-21","18:00:00",""
"1550192","28.6944","0.0017","7.3064","0.0005","28.2539","0.0017","90","","113.099","0.002","90","","5448.6","0.6","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C135 H111 N20 Ni4 -","- C135 H111 N20 Ni4 -","- C270 H222 N40 Ni8 -","2","0.5","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.051","0.0378","","","0.071","0.0752","","","","","","1.031","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550479","22.5468","0.0019","10.4722","0.0009","7.3277","0.0005","90","","107.751","0.005","90","","1647.8","0.2","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Craig, Robert A.; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Correction: Enantioselective, convergent synthesis of the ineleganolide core by a tandem annulation cascade","Chemical Science","2019","","","","","10.1039/C8SC90236D","","","1.54178","CuKα","","0.0277","0.0274","","","0.0697","0.0699","","","","","","1.048","","","","has coordinates,has disorder","213056","2020-10-21","18:00:00",""
"1550766","36.06","","35.48","","22.49","","90","","101.5","","90","","28196.3","","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C101 H126.5 Cl1.5 N20 O20.5 -","- C101 H126.5 Cl1.5 N20 O20.5 -","- C808 H1012 Cl12 N160 O164 -","8","2","","Jędrzejewska, Hanna; Szumna, Agnieszka","Peptide-based capsules with chirality-controlled functionalized interiors ‒ rational design and amplification from dynamic combinatorial libraries","Chemical Science","2019","","","","","10.1039/C8SC05455J","","","0.8","synchrotron","","0.1194","0.0986","","","0.2692","0.3023","","","","","","1.139","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1550863","32.0848","0.0009","7.83242","0.00014","6.87904","0.00015","90","","100.157","0.002","90","","1701.62","0.07","293","","293","2","","","","","","","Mechanochemical synthesis","5","C 1 2 1","C 2y","5","Sr-Anthranilate trihydrate","","Sr-Anthranilate trihydrate","- C14 H18 N2 O7 Sr -","- C14 H18 N2 O7 Sr -","- C56 H72 N8 O28 Sr4 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard","Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6513","6521","10.1039/c9dt00991d","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.162","4.3","","","","","","","has coordinates","224178","2020-10-21","18:00:00",""
"1551080","18.1243","0.0013","12.7829","0.001","19.6169","0.0019","90","","117.061","0.002","90","","4047.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Triethyldiphosphonium NDI direduced","'N,N-dibenzyl-2,6-triethyldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide' ?","","- C40 H46 N2 O4 P2 -","- C40 H46 N2 O4 P2 -","- C160 H184 N8 O16 P8 -","4","1","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.0318","0.0312","","","0.0861","0.0865","","","","","","1.021","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551101","22.5953","0.0016","26.3348","0.0018","19.0456","0.0012","90","","103.18","0.004","90","","11034.4","1.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C95 H147 N17 O15 P -","- C95 H102 N17 O15 P -","- C380 H408 N68 O60 P4 -","4","1","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","","1.54178","CuKα","","0.1703","0.1108","","","0.272","0.3009","","","","","","1.048","","","","has coordinates","215430","2020-10-21","18:00:00",""
"1551104","9.566","0.007","7.44","0.006","15.911","0.012","90","","101.54","0.03","90","","1109.5","1.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C32 H76 N4 O12 -","4","1","","Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.","Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates","IUCrJ","2019","6","4","","","10.1107/S2052252519004755","","","0.71073","MoKα","","0.079","0.0586","","","0.1313","0.141","","","","","","1.063","","","","has coordinates","215440","2020-10-21","18:00:00",""
"1551330","33.883","0.008","20.467","0.005","25.712","0.006","90","","95.249","0.008","90","","17756","7","300","2","300","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C576 H672 N96 -","8","2","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1186","0.0907","","","0.2331","0.2673","","","","","","1.075","","","","has coordinates","215827","2020-10-21","18:00:00",""
"1551331","34.692","0.002","19.8867","0.0013","26.6702","0.0018","90","","93.334","0.002","90","","18369","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C155.5 H234 Cl N24 O21.5 -","- C155.5 H213 Cl N24 O21.375 -","- C622 H852 Cl4 N96 O85.5 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.1071","0.0977","","","0.2645","0.2748","","","","","","1.052","","","","has coordinates,has disorder","215828","2020-10-21","18:00:00",""
"1551332","34.796","0.003","19.8984","0.0014","26.7636","0.0018","90","","93.452","0.002","90","","18497","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C154 H208.5 Cl9 N24 O11.75 -","- C154 H199 Cl9 N24 O11.75 -","- C616 H796 Cl36 N96 O47 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1833","0.1641","","","0.4202","0.4368","","","","","","1.94","","","","has coordinates,has disorder","215829","2020-10-21","18:00:00",""
"1551334","28.107","0.005","6.679","0.0006","13.398","0.002","90","","117.776","0.013","90","","2225.4","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0764","0.0539","","","0.1286","0.1424","","","","","","1.107","","","","has coordinates,has disorder","215831","2020-10-21","18:00:00",""
"1551335","28.5038","0.0003","6.6628","0.0006","13.4137","0.0007","90","","117.232","0.002","90","","2265.1","0.2","173","","173","","","","","","","","MAT ETH Zurich","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.113","0.0808","","","0.2071","0.2282","","","","","","1.367","","","","has coordinates,has disorder","215832","2020-10-21","18:00:00",""
"1551477","17.1059","0.0004","14.9921","0.0004","14.7772","0.0004","90","","95.317","0.002","90","","3773.36","0.17","296.96","0.1","296.96","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","20180713-A2","","- C48 H32 F2 N4 -","- C48 H32 F2 N4 -","- C192 H128 F8 N16 -","4","1","","Man, Zhongwei; Lv, Zheng; Xu, Zhenzhen; Cui, Hongtu; Liao, Qing; Zheng, Lemin; Jin, Xue; He, Qihua; Fu, Hongbing","Organic nanoparticles with ultrahigh stimulated emission depletion efficiency for low-power STED nanoscopy.","Nanoscale","2019","11","27","12990","12996","10.1039/c9nr02781e","","x-ray","1.54184","CuKα","","0.0947","0.0863","","","0.2855","0.3057","","","","","","1.33","","","","has coordinates","224659","2020-10-21","18:00:00",""
"1551703","24.2721","0.0009","11.6227","0.0004","9.3193","0.0004","90","","107.489","0.004","90","","2507.51","0.18","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2- (4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one","","- C22 H26 O15 -","- C22 H26 O15 -","- C88 H104 O60 -","4","1","","ANTHAL, Sumati; ROY, Rajiv; GUPTA, Vivek K.; BRAHMACHARI, Goutam; JASH, Shyamal K.; MANDAL, Lalan C.","Crystal Structure of 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one trihydrate","X-ray Structure Analysis Online","2012","28","","15","","10.2116/xraystruct.28.15","","","0.71073","MoKα","","0.0602","0.0504","","","0.138","0.1483","","","","","","1","","","","has coordinates","216315","2020-10-21","18:00:00",""
"1551748","13.535","0.004","14.893","0.005","10.158","0.004","90","","121.54","0.03","90","","1745.1","1.2","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","bis(N,N,N',N'- tetramethyl-ethylenediammonium) decachlorodibismuthate (III) trihydrate","","- C6 H21 Bi Cl5 N2 O1.5 -","- C6 H21 Bi Cl5 N2 O1.5 -","- C24 H84 Bi4 Cl20 N8 O6 -","4","1","","MASMOUDI, W.; KAMOUN, S.; AYEDI, HF.; DRISS, A.","Synthesis and Crystal Structure of Bis(N,N,N′,N′-tetramethyl-ethylenediammonium)decachlorodibismuthate(III) trihydrate","X-ray Structure Analysis Online","2010","26","","7","","10.2116/xraystruct.26.7","","","0.71073","MoKα","","0.0389","0.0318","","","0.0743","0.0771","","","","","","1.072","","","","has coordinates","278190","2022-09-26","15:36:16",""
"1551798","32.997","0.002","5.8823","0.0008","9.8717","0.0009","90","","103.483","0.006","90","","1863.3","0.3","297","","297","","","","","","","","see text","4","C 1 2 1","C 2y","5","L-(S)-Tryptophane-D-(R)-Mandelate 1.5H2O","","","- C19 H23 N2 O6.5 -","- C19 H23 N2 O6.5 -","- C76 H92 N8 O26 -","4","1","","FUJII, Isao","Crystal Structure of L-(S)-Tryptophane D-(R)-mandelate 1.5H2O","X-ray Structure Analysis Online","2009","25","","35","","10.2116/xraystruct.25.35","","x-ray","1.54184","CuKα","","0.0368","0.0346","","","0.0948","0.0971","","","","","","1.043","","","","has coordinates","216410","2020-10-21","18:00:00",""
"1551829","33.7737","0.0007","19.1957","0.0005","37.7788","0.0007","90","","101.142","0.002","90","","24030.7","0.9","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C744 H588 Cl24 F72 N60 O180 Zn12 -","6","1.5","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1465","0.0928","","","0.223","0.2593","","","","","","1.137","","","","has coordinates,has disorder","277994","2022-09-20","08:32:41",""
"1551906","8.2958","0.0006","8.2991","0.0006","22.299","0.002","90","","92.44","0.008","90","","1533.8","0.2","150.02","0.1","150.02","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H8 Br2 Fe N4 -","- C14 H8 Br2 Fe N4 -","- C56 H32 Br8 Fe4 N16 -","4","1","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.2505","0.2372","","","0.5361","0.5506","","","","","","2.445","","","","has coordinates,has disorder","216570","2020-10-21","18:00:00",""
"1551936","17.031","0.003","9.954","0.002","11.038","0.002","90","","111.66","0.03","90","","1739.1","0.7","153.15","","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 N O Rh -","- C21 H20 N O Rh -","- C84 H80 N4 O4 Rh4 -","4","1","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.710747","MoKα","","0.071","0.0572","","","0.1621","0.2138","","","","","","1.133","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551938","19.411","0.004","10.281","0.002","9.972","0.002","90","","94.88","0.03","90","","1982.8","0.7","153.15","","153.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H43 Cl3 N2 O2 Rh2 -","- C45 H43 Cl3 N2 O2 Rh2 -","- C90 H86 Cl6 N4 O4 Rh4 -","2","0.5","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.710747","MoKα","","0.0965","0.0818","","","0.2208","0.2663","","","","","","1.127","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1552060","11.4558","0.001","13.0673","0.001","7.7695","0.0006","90","","126.716","0.004","90","","932.32","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H20 N4 O9.5 Zn -","- C12 H20 N4 O9.5 Zn -","- C24 H40 N8 O19 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0558","0.0498","","","0.1131","0.1174","","","","","","1.082","","","","has coordinates,has disorder","216878","2020-10-21","18:00:00",""
"1552064","25.835","0.005","10.3517","0.0019","7.2252","0.0013","90","","102.657","0.002","90","","1885.3","0.6","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 Br N O6 -","- C18 H22 Br N O6 -","- C72 H88 Br4 N4 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0412","0.0332","","","0.0734","0.076","","","","","","1.043","","","","has coordinates","216882","2020-10-21","18:00:00",""
"1552231","24.03","0.005","3.8493","0.0006","10.627","0.003","90","","92.763","0.019","90","","981.8","0.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H18 B2 -","- C32 H18 B2 -","- C64 H36 B4 -","2","0.5","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.0855","0.0611","","","0.1262","0.1358","","","","","","1.036","","","","has coordinates","217546","2020-10-21","18:00:00",""
"1552264","12.1435","0.0003","10.3089","0.0002","8.5206","0.0002","90","","106.293","0.003","90","","1023.82","0.04","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","(2,2'-(propane-2,2-diyl)bis(4,5-dihydrooxazole-4,2-diyl))dimethanol","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","0.5","","Huang, Hai; Yang, Wen; Zhang, Zuliang; Lai, Zengwei; Sun, Jianwei","A Mild Catalytic Synthesis of 2-Oxazolines via Oxetane Ring-Opening: Rapid Access to A Diverse Family of Natural Products","Chemical Science","2019","","","","","10.1039/C9SC03843D","","x-ray","1.54184","CuKα","","0.0233","0.023","","","0.061","0.0612","","","","","","1.026","","","","has coordinates","217732","2020-10-21","18:00:00",""
"1552501","32.35","0.02","6.672","0.004","8.016","0.005","90","","103.59","0.02","90","","1681.7","1.8","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H21 Cl N2 O5 -","- C18 H21 Cl N2 O5 -","- C72 H84 Cl4 N8 O20 -","4","1","","Shi, Taoda; Wijeratne, E. M. Kithsiri; Solano, Cristian; Ambrose, Andrew J.; Ross, Alison B.; Norwood, Charles; Orido, Charles K.; Grigoryan, Tigran; Tillotson, Joseph; Kang, Minjin; Luo, Gang; Keegan, Bradley M.; Hu, Wenhao; Blagg, Brian S. J.; Zhang, Donna D.; Gunatilaka, A. A. Leslie; Chapman, Eli","An Isoform-Selective PTP1B Inhibitor Derived from Nitrogen-Atom Augmentation of Radicicol.","Biochemistry","2019","58","30","3225","3231","10.1021/acs.biochem.9b00499","","","0.71073","MoKα","","0.0663","0.043","","","0.1062","0.1227","","","","","","0.802","","","","has coordinates","220332","2020-10-21","18:00:00",""
"1552591","19.261","0.0009","6.1061","0.0003","16.8271","0.001","90","","114.67","0.006","90","","1798.4","0.18","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu","Phthalideisoquinoline Hemiacetal Alkaloids from <i>Corydalis decumbens</i> That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.","Journal of natural products","2019","82","10","2713","2720","10.1021/acs.jnatprod.9b00247","","x-ray","1.54184","CuKα","","0.0409","0.0403","","","0.1138","0.1143","","","","","","1.137","","","","has coordinates","222112","2020-10-21","18:00:00",""
"1552612","20.0275","0.0008","7.2784","0.0003","15.4226","0.0006","90","","92.383","0.004","90","","2246.18","0.16","172.8","0.8","173","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C100 H160 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0323","0.0301","","","0.0787","0.0811","","","","","","0.946","","","","has coordinates","222134","2020-10-21","18:00:00",""
"1552616","20.1097","0.0004","7.25531","0.00013","15.5015","0.0003","90","","95.009","0.0019","90","","2253.06","0.07","173","1","173","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H40 O6 -","- C25 H40 O6 -","- C100 H160 O24 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","x-ray","1.54184","CuKα","","0.0352","0.0345","","","0.0956","0.0968","","","","","","1.0466","","","","has coordinates","222138","2020-10-21","18:00:00",""
"1552627","18.0154","0.0015","6.3425","0.0005","16.3801","0.0013","90","","103.812","0.005","90","","1817.5","0.3","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","rhinomilisin C","(1S,2S,5R,6S)-2-(chloromethyl)-2-hydroxy-6-((E)-2-(hydroxymethyl) -3-methoxy-3-oxoprop-1-en-1-yl)-5-isopropylcyclohexane -1-carboxylic acid 1.5hydrate","","- C16 H28 Cl O7.5 -","- C16 H28 Cl O7.5 -","- C64 H112 Cl4 O30 -","4","1","","Liu, Shuai; Zhao, Yuping; Heering, Christian; Janiak, Christoph; Müller, Werner E G; Akoné, Sergi Hervé; Liu, Zhen; Proksch, Peter","Sesquiterpenoids from the Endophytic Fungus Rhinocladiella similis.","Journal of natural products","2019","82","5","1055","1062","10.1021/acs.jnatprod.8b00938","","","0.71073","MoKα","","0.0272","0.026","","","0.0654","0.0665","","","","","","1.111","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1552647","10.7238","0.001","7.28","0.0006","19.487","0.0017","90","","97.39","0.005","90","","1508.7","0.2","90","2","90","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Jaidee, Wuttichai; Andersen, Raymond J.; Chavez, Miguel A. G.; Wang, Yan A.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Borwornpinyo, Suparerk; Laphookhieo, Surat","Amides and Flavonoids from the Fruit and Leaf Extracts of Melodorum siamensis.","Journal of natural products","2019","82","2","283","292","10.1021/acs.jnatprod.8b00696","","x-ray","1.54178","CuKα","","0.0367","0.034","","","0.0847","0.0866","","","","","","1.039","","","","has coordinates","222170","2020-10-21","18:00:00",""
"1552659","18.8453","0.0003","10.1003","0.0002","9.7629","0.0002","90","","106.55","0.001","90","","1781.31","0.06","170","2","169.96","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H28 O7 -","- C19 H28 O7 -","- C76 H112 O28 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0281","0.028","","","0.0743","0.0744","","","","","","1.067","","","","has coordinates","222183","2020-10-21","18:00:00",""
"1552688","34.793","0.002","13.6374","0.0007","22.243","0.0013","90","","126.751","0.002","90","","8456.3","0.8","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C320 H582 O115 -","- C320 H582 O115 -","- C320 H582 O115 -","1","0.25","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0867","0.0828","","","0.2517","0.2619","","","","","","1.196","","","","has coordinates","222213","2020-10-21","18:00:00",""
"1552693","20.9402","0.0001","7.0781","0.0001","20.5614","0.0001","90","","91.39","0.001","90","","3046.65","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C35 H45 N O5 -","- C35 H45 N O5 -","- C140 H180 N4 O20 -","4","1","","Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang","Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.","Journal of natural products","2019","82","7","1752","1758","10.1021/acs.jnatprod.8b00918","","x-ray","1.54178","CuKα","","0.0436","0.0434","","","0.1143","0.1145","","","","","","1.073","","","","has coordinates","222218","2020-10-21","18:00:00",""
"1552758","16.404","0.008","5.345","0.003","38.959","0.018","90","","96.154","0.01","90","","3396","3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Uridine nucleolipids","","- C33 H56 N2 O8 -","- C33 H56 N2 O8 -","- C132 H224 N8 O32 -","4","1","","Nuthanakanti, Ashok; Walunj, Manisha B.; Torris, Arun; Badiger, Manohar V.; Srivatsan, Seergazhi G.","Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process.","Nanoscale","2019","11","24","11956","11966","10.1039/c9nr01863h","","","0.71073","MoKα","","0.0745","0.0619","","","0.1527","0.163","","","","","","1.117","","","","has coordinates","223404","2020-10-21","18:00:00",""
"1552759","83.98","0.04","7.173","0.004","7.066","0.003","90","","94.66","0.02","90","","4242","4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","nucleolipid","uridine dimyristirate","","- C37 H64 N2 O8 -","- C37 H64 N2 O8 -","- C148 H256 N8 O32 -","4","1","","Nuthanakanti, Ashok; Walunj, Manisha B.; Torris, Arun; Badiger, Manohar V.; Srivatsan, Seergazhi G.","Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process.","Nanoscale","2019","11","24","11956","11966","10.1039/c9nr01863h","","","0.71073","MoKα","","0.2197","0.0833","","","0.1736","0.2163","","","","","","0.972","","","","has coordinates","223404","2020-10-21","18:00:00",""
"1552825","35.279","0.005","12.2498","0.0016","12.5944","0.0016","90","","94.96","0.002","90","","5422.4","1.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H38 Cl4 N2 O4 -","- C62 H38 Cl4 N2 O4 -","- C248 H152 Cl16 N8 O16 -","4","1","","Wang, Zhen; Yan, Sen; Cui, Huang-Chen; Cheng, Guang; Ma, Hui; Zhang, Qing-Mei; Zhang, Qing-Pu; Liu, Jun-Min; Tan, Bien; Zhang, Chun","Porous Organic Polymer from Aggregation-Induced Emission Macrocycle for White-Light Emission","Macromolecules","2018","51","19","7863","","10.1021/acs.macromol.8b01632","","","0.71073","MoKα","","0.06","0.0437","","","0.1216","0.1302","","","","","","1.059","","","","has coordinates","227462","2020-10-21","18:00:00",""
"1552829","22.132","0.005","11.214","0.003","19.876","0.005","90","","98.636","0.004","90","","4877","2","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53.5 H61 Mg N3 O2 Si2 -","- C53.5 H61 Mg N3 O2 Si2 -","- C214 H244 Mg4 N12 O8 Si8 -","4","1","","Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan","Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control","Macromolecules","2018","51","14","5304","","10.1021/acs.macromol.8b00924","","","0.71073","MoKα","","0.2477","0.0751","","","0.1181","0.1824","","","","","","0.907","","","","has coordinates,has disorder","227464","2020-10-21","18:00:00",""
"1552830","22.162","0.003","11.233","0.0013","19.873","0.003","90","","98.551","0.005","90","","4892.3","1.1","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53.5 H61 Mg N3 O2 Si2 -","- C53.5 H61 Mg N3 O2 Si2 -","- C214 H244 Mg4 N12 O8 Si8 -","4","1","","Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan","Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control","Macromolecules","2018","51","14","5304","","10.1021/acs.macromol.8b00924","","","0.71073","MoKα","","0.1342","0.0497","","","0.0805","0.1039","","","","","","0.941","","","","has coordinates,has disorder","227464","2020-10-21","18:00:00",""
"1552841","14.089","0.002","6.7932","0.0013","10.3076","0.0017","90","","124.152","0.005","90","","816.4","0.2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H12 O4 S3 -","- C16 H12 O4 S3 -","- C32 H24 O8 S6 -","2","0.5","","Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang","Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells","Macromolecules","2018","52","1","341","","10.1021/acs.macromol.8b02360","","x-ray","0.71073","MoKα","","0.0231","0.0222","","","0.0563","0.0568","","","","","","1.152","","","","has coordinates","227474","2020-10-21","18:00:00",""
"1552925","19.9365","0.0007","8.3642","0.0004","16.95","0.0005","90","","106.413","0.004","90","","2711.28","0.19","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H34 O6 -","- C30 H34 O6 -","- C120 H136 O24 -","4","1","","Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao","Psiguadiols A‒J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00333","","","1.54178","CuKα","","0.0607","0.0595","","","0.1607","0.162","","","","","","1.066","","","","has coordinates","231002","2020-10-21","18:00:00",""
"1552936","21.2554","0.0003","5.93942","0.0001","17.7277","0.0003","90","","90.6651","0.0012","90","","2237.88","0.06","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H58 N8 O13 -","- C44 H58 N8 O13 -","- C88 H116 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","1.54184","CuKα","","0.0431","0.0422","","","0.1168","0.1174","","","","","","1.154","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552937","21.2","0.004","5.9359","0.0009","17.737","0.003","90","","90.692","0.005","90","","2231.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H57 N8 O13 -","- C44 H57 N8 O13 -","- C88 H114 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","0.71073","MoKα","","0.095","0.0519","","","0.0854","0.0972","","","","","","0.983","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552962","18.661","0.0005","24.3629","0.0007","15.4291","0.0004","90","","110.652","0.001","90","","6563.9","0.3","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H80 O38 -","- C51 H80 O38 -","- C204 H320 O152 -","4","1","","Suzuki, Nozomu; Kinoshita, Mariko; Miyabe, Kanji","Kinetic Study of Chiral Intermolecular Interactions by Moment Analysis Based on Affinity Capillary Electrophoresis.","Analytical chemistry","2018","90","18","11048","11053","10.1021/acs.analchem.8b02823","","","1.54178","","","0.0629","0.0625","","","0.172","0.1728","","","","","","1.038","","","","has coordinates,has disorder","231212","2020-10-21","18:00:00",""
"1553250","30.024","0.006","7.0591","0.0014","13.29","0.003","90","","101.32","0.03","90","","2761.9","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H31 F N3 O10 P -","- C23 H29 F N3 O10 P -","- C92 H116 F4 N12 O40 P4 -","4","1","","Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao","Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma.","Journal of medicinal chemistry","2016","59","8","3661","3670","10.1021/acs.jmedchem.5b01807","","","0.71073","MoKα","","0.1461","0.1289","","","0.3587","0.3814","","","","","","1.363","","","","has coordinates","234007","2020-10-21","18:00:00",""
"1553281","18.0066","0.0003","13.5854","0.0002","13.2739","0.0002","90","","93.898","0.001","90","","3239.64","0.09","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C69 H92 O13 -","- C68.5 H92 O13 -","- C137 H184 O26 -","2","0.5","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0567","0.0557","","","0.1602","0.1618","","","","","","1.052","","","","has coordinates,has disorder","234047","2020-10-21","18:00:00",""
"1553306","29.0981","0.0016","8.0421","0.0005","11.3912","0.0006","90","","104.315","0.003","90","","2582.9","0.3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H39 Cl O4 -","- C28 H39 Cl O4 -","- C112 H156 Cl4 O16 -","4","1","","Olivier, Wesley J.; Kilah, Nathan L.; Horne, James; Bissember, Alex C.; Smith, Jason A.","ent-Labdane Diterpenoids from Dodonaea viscosa.","Journal of natural products","2016","79","12","3117","3126","10.1021/acs.jnatprod.6b00858","","x-ray","1.54178","CuKα","","0.0476","0.0419","","0.1042","0.098","0.1042","","","","","","0.9871","","","","has coordinates","234080","2020-10-21","18:00:00",""
"1553319","19.3772","0.0007","8.318","0.0003","11.812","0.0006","90","","109.092","0.003","90","","1799.13","0.13","296","","296","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li","Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.","Journal of natural products","2018","81","7","1508","1516","10.1021/acs.jnatprod.7b00814","","","1.54178","CuKα","","0.0517","0.049","","","0.1312","0.1337","","","","","","1.054","","","","has coordinates","234096","2020-10-21","18:00:00",""
"1553334","22.066","0.0006","9.1694","0.0003","6.5996","0.0002","90","","107.302","0.002","90","","1274.89","0.07","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H13 Cl O5 -","- C13 H13 Cl O5 -","- C52 H52 Cl4 O20 -","4","1","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0339","0.0336","","","0.0926","0.0929","","","","","","1.044","","","","has coordinates","234119","2020-10-21","18:00:00",""
"1553343","14.2391","0.0004","6.4146","0.0002","19.8531","0.0006","90","","95.8796","0.0009","90","","1803.81","0.09","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H24 O10 -","- C17 H24 O10 -","- C68 H96 O40 -","4","1","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","x-ray","1.54178","CuKα","","0.0449","0.0446","","","0.1155","0.1158","","","","","","1.04","","","","has coordinates","234136","2020-10-21","18:00:00",""
"1553355","45.884","0.003","7.0425","0.0007","15.7032","0.0017","90","","103.902","0.009","90","","4925.7","0.8","106.3","","106.3","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29.25 H43 O3.25 -","- C29.25 H43 O3.25 -","- C234 H344 O26 -","8","2","","Liu, Fei; Wang, Ya-Nan; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Niu, Chang-Shan; Tang, Zhong-Hai; Li, Yu-Huan; Li, Li; Yu, Shi-Shan","Minor Nortriterpenoids from the Twigs and Leaves of Rhododendron latoucheae.","Journal of natural products","2018","81","8","1721","1733","10.1021/acs.jnatprod.7b01074","","","1.5418","CuKα","","0.1163","0.114","","","0.2516","0.2528","","","","","","1.129","","","","has coordinates,has disorder","234158","2020-10-21","18:00:00",""
"1553372","29.658","0.0019","6.8498","0.0005","7.4333","0.0005","90","","104.45","0.002","90","","1462.31","0.17","302","2","301.94","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.0397","0.0386","","","0.1056","0.1074","","","","","","1.103","","","","has coordinates","234187","2020-10-21","18:00:00",""
"1553391","36.457","0.002","4.886","0.0003","20.2686","0.0009","90","","105.385","0.005","90","","3481","0.3","100","0.3","100","0.3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C160 H256 O16 -","8","2","","Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.","Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.","Journal of natural products","2018","81","12","2654","2666","10.1021/acs.jnatprod.8b00458","","x-ray","1.54184","CuKα","","0.0898","0.0555","","","0.1152","0.1324","","","","","","1.029","","","","has coordinates,has disorder","234219","2020-10-21","18:00:00",""
"1553392","64.164","0.002","4.8171","0.0002","10.9786","0.0004","90","","90.556","0.003","90","","3393.2","0.2","100","0.2","100","0.2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.","Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.","Journal of natural products","2018","81","12","2654","2666","10.1021/acs.jnatprod.8b00458","","x-ray","1.54184","CuKα","","0.06","0.0484","","","0.1284","0.1383","","","","","","1.02","","","","has coordinates","234221","2020-10-21","18:00:00",""
"1553493","27.836","0.004","7.8125","0.001","14.1759","0.0019","90","","92.711","0.002","90","","3079.4","0.7","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H40 O5 Si -","- C29 H40 O5 Si -","- C116 H160 O20 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.0526","0.0394","","","0.0845","0.0894","","","","","","1.025","","","","has coordinates,has disorder","235056","2020-10-21","18:00:00",""
"1553728","11.5","0.004","10.46","0.004","11.413","0.005","90","","95.06","0.008","90","","1367.5","0.9","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H16 F3 N O2 S2 -","- C11 H16 F3 N O2 S2 -","- C44 H64 F12 N4 O8 S8 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0455","0.0404","","","0.0934","0.0982","","","","","","1.108","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553906","17.0278","0.0009","8.4534","0.0005","14.668","0.0008","90","","110.034","0.002","90","","1983.59","0.19","301","2","301.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Shen, Hong-Qiang; Liu, Cong; Zhou, Ji; Zhou, Yong-Gui","Enantioselective palladium-catalyzed C‒H functionalization of pyrroles using an axially chiral 2,2′-bipyridine ligand","Organic Chemistry Frontiers","2018","5","4","611","","10.1039/C7QO00815E","","","1.54178","CuKα","","0.0703","0.064","","","0.1766","0.1844","","","","","","1.048","","","","has coordinates","236152","2020-10-21","18:00:00",""
"1554070","9.5309","0.00027","5.21728","0.00017","17.6011","0.0008","90","","101.078","0.004","90","","858.91","0.06","","","294","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H29.99 N4 O5 -","- C12 H29.994 N4 O5 -","- C24 H59.988 N8 O10 -","2","0.5","","Williams, P. Andrew; Hughes, Colan E.; Martin, Jean; Courvoisier, Emilie; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Understanding the Solid-State Hydration Behavior of a Common Amino Acid: Identification, Structural Characterization, and Hydration/Dehydration Processes of New Hydrate Phases of l-Lysine","The Journal of Physical Chemistry C","2016","120","17","9385","","10.1021/acs.jpcc.5b12420","powder diffraction","x-ray","1.5406","","","","","","","","","0.24366","","1.37","","","","","","","has coordinates","236527","2020-10-21","18:00:00",""
"1554109","31.8593","0.0016","8.0078","0.0004","51.818","0.003","90","","97.15","0.003","90","","13117.2","1.2","120","2","120","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C48 H38 -","- C48 H38 -","- C768 H608 -","16","4","","Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra","Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis","The Journal of Physical Chemistry C","2018","122","43","24527","","10.1021/acs.jpcc.8b06068","","","1.54178","CuKα","","0.0656","0.0562","","","0.1378","0.144","","","","","","1.024","","","","has coordinates","236586","2020-10-21","18:00:00",""
"1554291","27.4221","0.0008","5.1994","0.0002","19.0212","0.0006","90","","121.717","0.001","90","","2306.99","0.14","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","2","","Liu, Yan; Zeng, Jing; Sun, Jiuchang; Cai, Lei; Zhao, Yueqi; Fang, Jing; Hu, Bo; Shu, Penghua; Meng, Lingkui; Wan, Qian","1,4-Dithiothreitol mediated cleavage of the acetal and ketal type of diol protecting groups","Organic Chemistry Frontiers","2018","5","16","2427","","10.1039/C8QO00247A","","","1.54178","CuKα","","0.0409","0.04","","","0.105","0.1096","","","","","","1.094","","","","has coordinates","237099","2020-10-21","18:00:00",""
"1554321","14.8962","0.0011","11.3205","0.0008","20.153","0.002","90","","102.279","0.009","90","","3320.7","0.5","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H28 N2 O4 S -","- C38 H28 N2 O4 S -","- C152 H112 N8 O16 S4 -","4","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1095","0.1153","","","","","","1.052","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554336","18.4603","0.0003","16.6736","0.0003","13.8087","0.001","90","","103.239","0.007","90","","4137.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R,2R,4aS,12bS)-1-chloro-2-hydroxy-2,5,5,7-tetramethyl-1,2,3,4,4a,5,7,12b-octahydro-12H-isochromeno[3,4-b]quinolin-12-one","","- C20.57 H26.27 Cl N O3.57 -","- C20 H24 Cl N O3 -","- C160 H192 Cl8 N8 O24 -","8","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.1415","0.0783","","","0.2","0.2755","","","","","","1.043","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554498","25.2058","0.0019","7.2704","0.0006","19.2306","0.0015","90","","105.306","0.002","90","","3399.1","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H42 Cl2 O7 -","- C38 H42 Cl2 O7 -","- C152 H168 Cl8 O28 -","4","1","","Fan, Jian-Hong; Hu, Ya-Jian; Guo, Qiang; Li, Shaoping; Zhao, Jing; Li, Chuang-Chuang","Asymmetric synthesis of the tetracyclic core of bufogargarizin C by an intramolecular [5 + 2] cycloaddition","Organic Chemistry Frontiers","2019","6","1","22","","10.1039/C8QO01089G","","x-ray","0.71073","MoKα","","0.0433","0.0408","","","0.0936","0.0945","","","","","","1.107","","","","has coordinates","237288","2020-10-21","18:00:00",""
"1554599","32.3977","0.0013","31.639","0.0013","22.0583","0.0009","90","","123.314","0.002","90","","18894.9","1.4","180","2","180","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C70.5 H64.5 F19.5 N15.5 O4.5 S1.5 Sb2.5 Zn2 -","- C69.865 H63 F17.625 N15.495 O2.625 S0.875 Sb2.5 Zn2 -","- C558.92 H504 F141 N123.96 O21 S7 Sb20 Zn16 -","8","2","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0992","0.0751","","","0.1957","0.2177","","","","","","1.036","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554619","19.1281","0.0012","24.4901","0.0012","15.6182","0.001","90","","109.513","0.003","90","","6896.1","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H48 Cl0 F0 N0 O43.5 -","- C54 H68 O43.5 -","- C216 H272 O174 -","4","1","","Phan, Chiuyen; Zheng, Ziyang; Wang, Jianwei; Wang, Qiwen; Hu, Xiurong; Tang, Guping; Bai, Hongzhen","Enhanced antitumour effect for hepatocellular carcinoma in the advanced stage using a cyclodextrin-sorafenib-chaperoned inclusion complex.","Biomaterials science","2019","7","11","4758","4768","10.1039/c9bm01190k","","","1.54184","CuKα","","0.1025","0.0944","","","0.2731","0.2855","","","","","","1.29","","","","has coordinates","237825","2020-10-21","18:00:00",""
"1554665","25.4902","0.0008","8.4676","0.0003","16.9657","0.0005","90","","104.889","0.002","90","","3538.9","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H16 N4 O2 -","- C30 H16 N4 O2 -","- C180 H96 N24 O12 -","6","1.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0338","0.0315","","","0.0863","0.0887","","","","","","1.038","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554706","25.9456","0.0005","8.8451","0.0003","23.3704","0.0007","90","","101.146","0.003","90","","5262.1","0.3","293","1","293","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H22 Cl N5 O8 -","- C21 H22 Cl N5 O8 -","- C168 H176 Cl8 N40 O64 -","8","2","","Hao, Er-Jun; Fu, Dan-Dan; Wang, Dong-Chao; Zhang, Tao; Qu, Gui-Rong; Li, Gong-Xin; Lan, Yu; Guo, Hai-Ming","Chemoselective asymmetric dearomative [3 + 2] cycloaddition reactions of purines with aminocyclopropanes","Organic Chemistry Frontiers","2019","6","6","863","","10.1039/C9QO00039A","","x-ray","1.54184","CuKα","","0.0667","0.0641","","","0.1749","0.1781","","","","","","1.052","","","","has coordinates","238067","2020-10-21","18:00:00",""
"1554741","29.1304","0.0003","17.2687","0.0001","17.7328","0.0001","90","","103.665","0.001","90","","8667.88","0.12","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H37.5 N4 O9 -","- C40 H37.5 N4 O9 -","- C320 H300 N32 O72 -","8","2","","Liu, Xiong-Li; Gong, Yi; Chen, Shuang; Zuo, Xiong; Yao, Zhen; Zhou, Ying","Bifunctional oxindole-chromone 4C building block directed asymmetric synthesis of bispirocyclic hexahydroxanthones featuring five contiguous stereocenters and two side-by-side oxindoles","Organic Chemistry Frontiers","2019","6","10","1603","","10.1039/C9QO00127A","","x-ray","1.54184","CuKα","","0.0509","0.0499","","","0.1465","0.1481","","","","","","1.08","","","","has coordinates","238091","2020-10-21","18:00:00",""
"1554898","16.929","0.008","4.841","0.002","36.446","0.016","90","","101.211","0.009","90","","2930","2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C104 H120 Br8 Cl8 N8 O24 -","8","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.144","0.0989","","","0.2008","0.2163","","","","","","1.098","","","","has coordinates","238188","2020-10-21","18:00:00",""
"1554951","23.8323","0.0016","5.5909","0.0004","15.658","0.0011","90","","103.617","0.007","90","","2027.7","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 O2 S2 -","- C24 H24 O2 S2 -","- C96 H96 O8 S8 -","4","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71075","MoKα","","0.0959","0.0709","","","0.1475","0.1599","","","","","","1.022","","","","has coordinates,has disorder","238235","2020-10-21","18:00:00",""
"1555044","22.265","0.003","7.7011","0.001","12.8529","0.0015","90","","102.095","0.003","90","","2154.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H36 O4 Si -","- C21 H36 O4 Si -","- C84 H144 O16 Si4 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0708","0.0584","","","0.153","0.1604","","","","","","1.097","","","","has coordinates","238292","2020-10-21","18:00:00",""
"1555095","17.095","0.003","5.874","0.0012","15.476","0.003","90","","106","0.03","90","","1493.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Ren, Wenlong; Chang, Wenju; Wang, Yang; Li, Jingfu; Shi, Yian","Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2015","17","14","3544","3547","10.1021/acs.orglett.5b01630","","","0.71073","MoKα","","0.0778","0.051","","","0.1258","0.1435","","","","","","1.004","","","","has coordinates","238317","2020-10-21","18:00:00",""
"1555150","20.6626","0.0008","10.3356","0.0004","13.6724","0.0005","90","","123.325","0.002","90","","2439.76","0.17","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34.5 F3 N O1.25 -","- C25 H34 F3 N O4.25 -","- C100 H136 F12 N4 O17 -","4","1","","Sampaio-Dias, Ivo E.; Silva-Reis, Sara C.; Pinto da Silva, Luís; García-Mera, Xerardo; Maestro, Miguel A.; Rodríguez-Borges, José E.","Mechanistic insights for the transprotection of tertiary amines with Boc2O via charged carbamates: access to both enantiomers of 2-azanorbornane-3-exo-carboxylic acids","Organic Chemistry Frontiers","2019","6","20","3540","","10.1039/C9QO00957D","","","0.71073","MoKα","","0.0434","0.041","","","0.1123","0.1181","","","","","","1.083","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555173","25.9119","0.0007","7.4654","0.0002","11.5725","0.0003","90","","107.999","0.001","90","","2129.06","0.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Wang, Jia-Peng; Shu, Yan; Liu, Shi-Xi; Hu, Jun-Tao; Sun, Cheng-Tong; Zhou, Hao; Gan, Dong; Cai, Xue-Yun; Pu, Wei; Cai, Le; Ding, Zhong-Tao","Expanstines A‒D: four unusual isoprenoid epoxycyclohexenones generated by Penicillium expansum YJ-15 fermentation and photopromotion","Organic Chemistry Frontiers","2019","6","23","3839","","10.1039/C9QO01076A","","","1.54178","CuKα","","0.053","0.0525","","","0.1389","0.1396","","","","","","1.06","","","","has coordinates","238367","2020-10-21","18:00:00",""
"1555190","26.476","0.004","9.6581","0.0015","9.1391","0.0014","90","","98.974","0.003","90","","2308.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C100 H100 N4 O16 S4 -","4","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0634","0.0416","","","0.0848","0.095","","","","","","1.017","","","","has coordinates","238378","2020-10-21","18:00:00",""
"1555365","9.512","0.004","19.054","0.007","30.838","0.014","90","","93.81","0.008","90","","5577","4","100","2","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 S -","- C24 H25 Br N2 O4 S -","- C192 H200 Br8 N16 O32 S8 -","8","2","","Shu, Xing-zhong; Schienebeck, Casi M.; Li, Xiaoxun; Zhou, Xin; Song, Wangze; Chen, Lianqing; Guzei, Ilia A.; Tang, Weiping","Rhodium-Catalyzed Stereoselective Intramolecular [5 + 2] Cycloaddition of 3-Acyloxy 1,4-Enyne and Alkene.","Organic letters","2015","17","20","5128","5131","10.1021/acs.orglett.5b02665","","x-ray","0.71073","MoKα","K-L~3~","0.057","0.0499","","","0.1229","0.1259","","","","","","1.062","","","","has coordinates,has disorder","238558","2020-10-21","18:00:00",""
"1555436","37.9789","0.001","14.5891","0.0004","21.4715","0.0006","90","","119.848","0.0007","90","","10318.8","0.5","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C384 H384 N64 O48 -","16","4","","Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.","Organic letters","2015","17","23","5816","5819","10.1021/acs.orglett.5b02949","","","0.71073","MoKα","","0.0672","0.0528","","","0.1326","0.1398","","","","","","1.059","","","","has coordinates,has disorder","238670","2020-10-21","18:00:00",""
"1555449","20.0748","0.0007","6.8584","0.0003","25.9078","0.0009","90","","106.399","0.001","90","","3421.9","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","1.54178","CuKα","","0.0948","0.0936","","","0.2628","0.2745","","","","","","1.387","","","","has coordinates","238694","2020-10-21","18:00:00",""
"1555451","31.775","0.005","7.261","0.0011","19.184","0.003","90","","104.026","0.002","90","","4294.1","1.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C192 H288 O32 -","8","2","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.077","0.0668","","","0.1888","0.1942","","","","","","1.101","","","","has coordinates","238698","2020-10-21","18:00:00",""
"1555543","18.2916","0.0005","8.7712","0.0003","12.993","0.0004","90","","103.232","0.001","90","","2029.24","0.11","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0463","0.0462","","","0.1278","0.1282","","","","","","1.133","","","","has coordinates,has disorder","238879","2020-10-21","18:00:00",""
"1555630","26.073","0.006","7.8003","0.0019","29.094","0.007","90","","91.171","0.004","90","","5916","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H40 O9 -","- C28 H38 O9 -","- C224 H304 O72 -","8","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.1352","0.1209","","","0.3218","0.3308","","","","","","1.072","","","","has coordinates","238962","2020-10-21","18:00:00",""
"1555694","32.3","0.02","4.861","0.003","20.038","0.013","90","","126.539","0.017","90","","2528","3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H13 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Feng, Minghao; Tang, Bingqing; Xu, Hong-Xi; Jiang, Xuefeng","Collective Synthesis of Phenanthridinone through C-H Activation Involving a Pd-Catalyzed Aryne Multicomponent Reaction.","Organic letters","2016","18","17","4352","4355","10.1021/acs.orglett.6b02109","","","0.71073","MoKα","","0.1241","0.0541","","","0.11","0.1432","","","","","","0.983","","","","has coordinates","239024","2020-10-21","18:00:00",""
"1555764","20.9111","0.0004","10.4665","0.0002","15.9414","0.0003","90","","105.059","0.0011","90","","3369.21","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 N O6 -","- C17 H18 N O6 -","- C136 H144 N8 O48 -","8","2","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","0.71073","MoKα","","0.0949","0.0505","","","0.1239","0.1448","","","","","","1.019","","","","has coordinates","239094","2020-10-21","18:00:00",""
"1555885","19.301","0.004","5.7434","0.001","12.35","0.003","90","","120.282","0.004","90","","1182.2","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 Br O3 -","- C11 H13 Br O3 -","- C44 H52 Br4 O12 -","4","1","","Hou, Chuan-Jin; Hu, Xiang-Ping","Sterically Hindered Chiral Ferrocenyl P,N,N-Ligands for Highly Diastereo-/Enantioselective Ir-Catalyzed Hydrogenation of α-Alkyl-β-ketoesters via Dynamic Kinetic Resolution.","Organic letters","2016","18","21","5592","5595","10.1021/acs.orglett.6b02828","","","0.71073","MoKα","","0.0481","0.0343","","","0.083","0.0886","","","","","","1.059","","","","has coordinates","239210","2020-10-21","18:00:00",""
"1555967","13.014","0.004","9.45","0.003","18.211","0.005","90","","98.828","0.008","90","","2213.1","1.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H22 F2 N2 O7 -","- C21 H22 F2 N2 O7 -","- C84 H88 F8 N8 O28 -","4","1","","Evans, Christopher E.; Matarlo, Joe S.; Tonge, Peter J.; Tan, Derek S.","Stereoselective Synthesis, Docking, and Biological Evaluation of Difluoroindanediol-Based MenE Inhibitors as Antibiotics.","Organic letters","2016","18","24","6384","6387","10.1021/acs.orglett.6b03272","","","1.54178","CuKα","","0.0307","0.0305","","","0.0814","0.0816","","","","","","1.338","","","","has coordinates,has disorder","239288","2020-10-21","18:00:00",""
"1556016","22.49","0.007","5.1816","0.001","20.19","0.007","90","","90.78","0.03","90","","2352.6","1.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2285","0.1175","","","0.2733","0.348","","","","","","0.911","","","","has coordinates","239338","2020-10-21","18:00:00",""
"1556018","20.5553","0.0012","9.5675","0.0003","22.2196","0.0014","90","","115.687","0.007","90","","3937.9","0.4","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H17 Cl O3 -","- C23 H17 Cl O3 -","- C184 H136 Cl8 O24 -","8","2","","Infante, Rebeca; Martin-Alvarez, Jose M; Andrés, Celia; Nieto, Javier","Dimethylzinc-Mediated Addition of Phenylacetylene to α-Diketones Catalyzed by Chiral Perhydro-1,3-benzoxazines.","Organic letters","2017","19","7","1516","1519","10.1021/acs.orglett.7b00252","","x-ray","0.71073","MoKα","","0.1155","0.0655","","","0.1597","0.1859","","","","","","1.029","","","","has coordinates","288075","2023-12-06","14:16:59",""
"1556045","17.9303","0.0008","6.8625","0.0003","13.4226","0.0006","90","","99.456","0.003","90","","1629.16","0.13","123","","123","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Iwamoto, Hiroaki; Akiyama, Sota; Hayama, Keiichi; Ito, Hajime","Copper(I)-Catalyzed Stereo- and Chemoselective Borylative Radical Cyclization of Alkyl Halides Bearing an Alkene Moiety.","Organic letters","2017","19","10","2614","2617","10.1021/acs.orglett.7b00940","","","1.54187","CuKα","","0.0812","0.0395","","","0.077","0.1104","","","","","","1.17","","","","has coordinates","239366","2020-10-21","18:00:00",""
"1556053","21.5482","0.0011","6.1634","0.0003","16.9021","0.0007","90","","111.981","0.003","90","","2081.59","0.18","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","(3S,4S,5S)-benzyl 3-(4-chlorophenyl)-4-formyl- 5-(2-methoxy-2-oxoethyl)-1,2-oxazinane-2-carboxylate","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C88 H88 Cl4 N4 O24 -","4","1","","Drelich, Piotr; Moczulski, Marek; Albrecht, Łukasz","d<sup>0</sup>a<sup>3</sup> Synthon Equivalents for the Stereocontrolled Synthesis of Functionalized 1,4-Amino Alcohol Precursors.","Organic letters","2017","19","12","3143","3146","10.1021/acs.orglett.7b01268","","","1.54178","CuKα","","0.0244","0.0244","","","0.0674","0.0674","","","","","","1.065","","","","has coordinates","239374","2020-10-21","18:00:00",""
"1556055","20.4899","0.0008","9.7314","0.0005","10.0601","0.0005","90","","101.493","0.004","90","","1965.72","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H19 Cl N6 O -","- C19 H19 Cl N6 O -","- C76 H76 Cl4 N24 O4 -","4","1","","Li, Dan; Wang, Kezhou; Wang, Linqing; Wang, Yuan; Wang, Pengxin; Liu, Xin; Yang, Dongxu; Wang, Rui","Magnesium Catalysis Mediated Tetrazoles in Desymmetrization Reaction of Aziridines.","Organic letters","2017","19","12","3211","3214","10.1021/acs.orglett.7b01333","","x-ray","0.71073","MoKα","","0.061","0.0488","","","0.1097","0.1229","","","","","","1.043","","","","has coordinates","239376","2020-10-21","18:00:00",""
"1556082","21.5973","0.0008","5.0981","0.0002","17.5377","0.0007","90","","91.771","0.001","90","","1930.07","0.13","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C96 H104 N12 O4 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0302","0.0302","","","0.0798","0.0799","","","","","","1.048","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556116","25.446","0.002","5.8028","0.0006","16.3488","0.0015","90","","110.637","0.006","90","","2259.1","0.4","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24.5 H26 N O4.5 S -","- C24.5 H26 N O4.5 S -","- C98 H104 N4 O18 S4 -","4","1","","Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao","Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides.","Organic letters","2007","9","7","1307","1310","10.1021/ol070179j","","","1.54187","CuKα","","0.0397","0.0381","","","0.1041","0.1056","","","","","","1.057","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1556118","15.411","0.006","10.323","0.004","30.625","0.013","90","","103.583","0.006","90","","4736","3","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","boeyz04","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C216 H248 N8 O32 -","8","2","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.0766","0.056","","","0.1172","0.1271","","","","","","1.058","","","","has coordinates","243480","2020-10-21","18:00:00",""
"1556441","34.8403","0.0017","18.4715","0.0011","14.5302","0.0008","90","","96.555","0.004","90","","9289.8","0.9","150","","150","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H68 K Mn N4 O6 Si4 -","- C34 H68 K Mn N4 O6 Si4 -","- C272 H544 K8 Mn8 N32 O48 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0512","0.0368","","","0.0753","0.0786","","","","","","0.911","","","","has coordinates,has disorder","244938","2020-10-21","18:00:00",""
"1556542","41.161","0.003","24.6172","0.0013","40.061","0.002","90","","103.141","0.002","90","","39530","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C1348 H1356 Ag128 Mo16 N12 O104 P96 -","4","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.6525","synchrotron","","0.0819","0.0674","","","0.1802","0.1938","","","","","","1.029","","","","has coordinates,has disorder","247766","2020-10-21","18:00:00",""
"1556786","25.216","0.002","6.0746","0.0005","19.0419","0.0016","90","","107.453","0.003","90","","2782.5","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","SD—A-1‒4 4-I—F4-PhCOOH, 4-benzoylpyridine","","- C31 H19 F4 I N2 O4 -","- C31 H19 F4 I N2 O4 -","- C124 H76 F16 I4 N8 O16 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.09","0.0832","","","0.213","0.2173","","","","","","1.198","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556854","27.888","0.003","14.9539","0.0016","7.2021","0.0008","90","","95.118","0.002","90","","2991.5","0.6","173","2","173","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C88 H104 Ag4 Cl8 F24 N8 O4 P4 S12 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0471","0.044","","","0.1225","0.1246","","","","","","1.063","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556932","22.1402","0.0008","6.8047","0.0002","14.236","0.0005","90","","100.71","0.004","90","","2107.4","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H24.34 N2 O4.17 -","- C25 H24.342 N2 O4.171 -","- C100 H97.368 N8 O16.684 -","4","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0878","0.0904","","","","","","1.058","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1557130","26.9187","0.001","7.6682","0.0003","12.9814","0.0005","90","","108.271","0.003","90","","2544.5","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C108 H116 N4 O32 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0478","0.0375","","","0.0836","0.0876","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557140","21.2462","0.0012","8.9711","0.0005","8.8437","0.0005","90","","98.376","0.001","90","","1667.65","0.16","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C76 H120 O8 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0289","0.0284","","","0.0754","0.076","","","","","","1.045","","","","has coordinates","247158","2020-10-21","18:00:00",""
"1557153","21.3","0.006","9.674","0.003","6.986","0.002","90","","104.27","","90","","1395.1","0.7","","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H38 N4 O4 S -","- C25 H34 N4 O4 S -","- C50 H68 N8 O8 S2 -","2","0.5","","Hammer, Kristin; Benneche, Tore; Hope, Hakon; Undheim, Kjell","Stereoselective Synthesis of Thiophenedimethyl- and Benzenedimethyl- alpha,alpha'-Bridged Bis(glycines)","Acta Chemica Scandinavica","1997","51","","392","402","10.3891/acta.chem.scand.51-0392","","x-ray","1.54178","CuKα","","0.0465","0.0431","","","0.1112","0.1232","","","","","","0.76","","","","has coordinates","247252","2020-10-21","18:00:00",""
"1557295","32.663","0.002","5.161","0.0002","11.0162","0.0006","90","","94.704","0.005","90","","1850.79","0.17","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","Boc-Tyr(Tet)-OMe","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0664","0.0541","","","0.1433","0.1556","","","","","","1.039","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557352","37.059","0.002","6.5105","0.0004","12.0031","0.0007","90","","104.561","0.003","90","","2803","0.3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H44 O8 -","- C30 H44 O8 -","- C120 H176 O32 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.1112","0.1024","","","0.2843","0.3028","","","","","","1.268","","","","has coordinates","248346","2020-10-21","18:00:00",""
"1557588","19.487","0.006","7.935","0.003","20.351","0.005","90","","131.39","0.02","90","","2360.9","1.5","","","120","","","","","","","","","4","C 1 2 1","C 2y","5","L-Glutamic Acid.2-Methylimidazole","","","- C9 H15.5 N3 O4.25 -","- C9 N3 O4.25 -","- C72 N24 O34 -","8","2","","Gorbitz, Carl Henrik; Husdal, Johanne","Cocrystallizing Agents for Amino Acids. I. The Crystal Structure of L-Glutamic Acid.2-Methylimidazole","Acta Chemica Scandinavica","1996","50","","796","801","10.3891/acta.chem.scand.50-0796","","x-ray","0.71069","MoKα","","","0.046","","","","0.124","","","","","","1.045","","","","has coordinates","249322","2020-10-21","18:00:00",""
"1557592","24.726","0.003","5.2426","0.0005","12.0726","0.0012","90","","112.979","0.009","90","","1440.8","0.3","","","110","","","","","","","","","5","C 1 2 1","C 2y","5","(-)-(2S,3R)","","","- C16 H15 N O3 S -","- C16 N O3 S -","- C64 N4 O12 S4 -","4","1","","Marthi, Karalin; Larsen, Sine; Acs, Maria; Jaszay, Zsuzsa; Fogassy, Elemer","Enantiomer Associations in the Crystal Structures of Racemic and (2S,3R)-(-)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5- benzothiazepin-4(5H)-one","Acta Chemica Scandinavica","1996","50","","906","913","10.3891/acta.chem.scand.50-0906","","x-ray","1.5418","CuKα","","","0.027","","","","","","","","","","","","","","has coordinates","249326","2020-10-21","18:00:00",""
"1557731","14.3803","0.0005","5.9304","0.0002","20.8174","0.0014","90","","102.702","0.005","90","","1731.88","0.15","190","2","190","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H26 N O5.5 -","- C17 H26 N O5.5 -","- C68 H104 N4 O22 -","4","1","","Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.","Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00041","","x-ray","1.54184","CuKα","","0.0779","0.0565","","","0.1167","0.1301","","","","","","1.033","","","","has coordinates","250015","2020-10-21","18:00:00",""
"1557750","23.2747","0.0004","6.7781","0.0001","10.2443","0.0002","90","","91.9349","0.0017","90","","1615.2","0.05","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(S)-2-(4-(tert-butyl)phenyl)-2-methylchroman-4-one","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0315","0.0306","","","0.0793","0.0802","","","","","","1.043","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557804","19.191","0.002","9.515","0.0011","7.2721","0.001","90","","99.117","0.008","90","","1311.1","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","R-o-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0904","0.0511","","","0.0882","0.1038","","","","","","0.963","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557854","17.226","0.0019","5.4934","0.0005","14.4457","0.0017","90","","111.841","0.008","90","","1268.9","0.2","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0582","0.0538","","","0.1381","0.1432","","","","","","1.128","","","","has coordinates","251048","2020-10-21","18:00:00",""
"1557890","36.0878","0.0007","10.8258","0.0001","26.8601","0.0009","90","","131.699","0.003","90","","7835.1","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 Cl O6 -","- C20 H23 Cl O6 -","- C320 H368 Cl16 O96 -","16","4","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0567","0.0482","","","0.138","0.1452","","","","","","1.054","","","","has coordinates,has disorder","251105","2020-10-21","18:00:00",""
"1557895","45.216","0.002","6.5755","0.0003","9.061","0.0004","90","","95.407","0.003","90","","2682","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H48 O4 -","- C28 H48 O4 -","- C112 H192 O16 -","4","1","","Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Wu, Gang; Yang, Zhu-Liang; Chen, Ji-Jun","Spiroseoflosterol, a Rearranged Ergostane-Steroid from the Fruiting Bodies of Butyriboletus roseoflavus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01282","","","1.54178","CuKα","","0.1239","0.068","","","0.1451","0.1767","","","","","","1.04","","","","has coordinates","251110","2020-10-21","18:00:00",""
"1558106","23.808","0.004","10.36","0.003","11.8065","0.0017","90","","95.046","0.015","90","","2900.8","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H39 O4 S -","- C31 H35 O4 S -","- C124 H140 O16 S4 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1964","0.1019","","","0.2143","0.267","","","","","","0.992","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558269","39.191","0.004","5.624","0.002","11.247","0.002","90","","95.75","0.011","90","","2466.5","1","","","110","","","","","","","","","4","C 1 2 1","C 2y","5","(R)-1-Phenylethylammonium Hydrogen Maleate‒Water (1/0.25)","","","- C12 H14.5 N O4.25 -","- C12 N O4.25 -","- C96 N8 O34 -","8","2","","Larsen, Sine; Kozma, David; Acs, Maria","Crystal Structure at 110 K of (R)-1-Phenylethylammonium Hydrogen Maleate‒Water (1/0.25), and a Study of the Conformation of 1-Phenylethylammonium Ions","Acta Chemica Scandinavica","1994","48","","32","36","10.3891/acta.chem.scand.48-0032","","x-ray","1.54184","CuKα","","","0.027","","","0.032","","","","","","","1.07","","","","has coordinates","253038","2020-10-21","18:00:00",""
"1558431","24.693","0.005","5.0152","0.001","24.78","0.005","90","","101.05","0.004","90","","3011.9","1.1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C128 H168 N8 O40 -","8","2","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.2375","0.1008","","","0.141","0.1777","","","","","","1.05","","","","has coordinates","253488","2020-10-21","18:00:00",""
"1558435","25.448","0.004","6.6873","0.0008","11.1323","0.0015","90","","91.972","0.006","90","","1893.4","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H22 N2 O6.5 -","- C19 H22 N2 O6.5 -","- C76 H88 N8 O26 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.09","0.051","","","0.0875","0.102","","","","","","1.09","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558600","25.274","0.002","9.009","0.001","18.182","0.002","90","","128.024","0.009","90","","3261.2","0.7","","","298","","","","","","","","","6","C 1 2 1","C 2y","5","[(CrL5)2(F)(CH3CH2O)].H2O","","","- C62 H95 Cr2 F N4 O6 -","- C62 Cr2 F N4 O7 -","- C124 Cr4 F2 N8 O14 -","2","0.5","","Bottcher, Arnd; Elias, Horst; Glerup, Jorgen; Neuburger, Markus; Olsen, Carl Erik; Paulus, Helmut; Springborg, Johan; Zehnder, Margareta","Syntheses, Structures and Magnetic Properties of Fluoro-Bridged Di- and Tetranuclear Chromium(III) Complexes with Tetrahydrosalen and Substituted Tetrahydrosalen Derivatives as Ligands. Crystal Structure of an Ethoxo-Fluoro-Bridged Dichromium(III) Complex and a Tetrafluoro-Bridged Tetrachromium(III) Complex","Acta Chemica Scandinavica","1994","48","","967","980","10.3891/acta.chem.scand.48-0967","","x-ray","1.5418","CuKα","","","0.0503","","","0.0553","","","","","","","","","","","has coordinates","254340","2020-10-21","18:00:00",""
"1558656","12.6825","0.0008","8.3355","0.0005","7.2205","0.0005","90","","120.444","0.003","90","","658.07","0.08","302","2","302","2","","","","","","","","4","C 1 2 1","C 2y","5","","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]]","","- C8 H12 Cu3 N5 -","- C8 H12 Cu3 N5 -","- C16 H24 Cu6 N10 -","2","0.5","PK4028","Corfield, Peter W. R.; Stavola, Thomas James","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid","IUCrData","2020","5","7","x200968","","10.1107/S2414314620009682","","","0.7107","MoKα","","0.0464","0.0308","","","0.0623","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","254476","2020-10-21","18:00:00",""
"1558797","22.493","0.0018","7.8119","0.0007","3.6817","0.0003","90","","91.727","0.003","90","","646.63","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H10 Ag N3 O5 -","- C12 H10 Ag N3 O5 -","- C24 H20 Ag2 N6 O10 -","2","0.5","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0192","0.0192","","","0.0448","0.0448","","","","","","1.112","","","","has coordinates","255115","2020-10-21","18:00:00",""
"1558866","48.57","0.008","28.05","0.008","52.051","0.01","90","0.04","97.93","0.04","90","0.03","70236","3","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C1512 H2452 Au36 Co24 N72 Na40 O1206 S72 -","4","1","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1974","0.0809","","","0.1746","0.2033","","","","","","0.866","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1558883","25.917","0.003","12.6548","0.0016","13.9501","0.0015","90","","118.868","0.004","90","","4006.7","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H33 O5.5 -","- C20 H33 O5.5 -","- C160 H264 O44 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.1521","0.1038","","","0.2491","0.3021","","","","","","1.067","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558937","15.87","0.015","5.876","0.003","9.159","0.005","90","","99.55","0.02","90","","842.3","1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H22 Ca O14 -","- C12 H22 Ca O14 -","- C24 H44 Ca2 O28 -","2","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.1997","0.1313","","","0.2838","0.3286","","","","","","1.136","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558957","11.2099","0.0001","17.2004","0.0002","21.3573","0.0002","90","","98.838","0.001","90","","4069.11","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H63 O2.5 P2 -","- C44 H63 O2.5 P2 -","- C176 H252 O10 P8 -","4","1","","Qiu, Haile; Dai, Qiang; He, Jiafeng; Li, Wenbo; Zhang, Junliang","Access to P-Chiral sec- and tert-Phosphine Oxides Enabled by Le-Phos-Catalyzed Asymmetric Kinetic Resolution","Chemical Science","2020","","","","","10.1039/D0SC04041J","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0701","0.0702","","","","","","1.028","","","","has coordinates","255810","2020-10-21","18:00:00",""
"1558981","16.87","0.004","5.77","0.001","19.89","0.003","90","","105.9","0.012","90","","1862","0.6","100","2","100","2","","","","","","","Synthesis","4","C 1 2 1","C 2y","5","","","","- C15 H31 N2 O7.5 -","- C15 H31 N2 O7.5 -","- C60 H124 N8 O30 -","4","1","","Bellotto, Ottavia; Kralj, Slavko; De Zorzi, Rita; Geremia, Silvano; Marchesan, Silvia","Supramolecular hydrogels from unprotected dipeptides: a comparative study on stereoisomers and structural isomers.","Soft matter","2020","16","44","10151","10157","10.1039/d0sm01191f","","x-ray","0.7","Synchrotron","","0.0797","0.0772","","","0.2235","0.2284","","","","","","1.117","","","","has coordinates","259629","2020-12-06","14:55:48",""
"1559007","35.823","0.0002","6.493","","11.1674","0.0001","90","","106.69","","90","","2488.1","0.03","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H31 N3 O5 -","- C27 H31 N3 O5 -","- C108 H124 N12 O20 -","4","1","","Qi, Changxing; Tan, Xiaosheng; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Hu, Zhengxi; Chen, Gang; Zhang, Yonghui","Discovery of an Oxepine-Containing Diketopiperazine Derivative Active against Concanavalin A-Induced Hepatitis.","Journal of natural products","2020","83","9","2672","2678","10.1021/acs.jnatprod.0c00558","","","1.54178","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.056","","","","has coordinates","257124","2020-10-21","18:00:00",""
"1559289","57.6292","0.0015","16.977","0.0005","48.8318","0.0013","90","","115.332","0.001","90","","43182","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C230 H264 Al6 Mo90 N46 O255 -","- C205.5 H120 Al7.6 Mo91.583 N43.5 O218.42 -","- C822 H480 Al30.4 Mo366.332 N174 O873.68 -","4","1","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","1.54178","CuKα","","0.0968","0.0935","","","0.3028","0.3061","","","","","","2.607","","","","has coordinates","258885","2020-11-06","12:38:28",""
"1559692","31.36","0.005","5.4501","0.0008","14.626","0.002","90","","94.939","0.009","90","","2490.5","0.6","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C58 H58 N4 O8 -","- C58 H58 N4 O8 -","- C116 H116 N8 O16 -","2","0.5","","Yang, Yue; Gong, Qi; Wang, Wei; Mao, Ying-Le; Wang, Xiao-Rong; Yao, Sheng; Zhang, Hai-Yan; Tang, Chunping; Ye, Yang","Neuroprotective and Anti-inflammatory Ditetrahydrofuran-Containing Diarylheptanoids from <i>Tacca chantrieri</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00901","","","1.54178","CuKα","","0.0332","0.0312","","","0.0777","0.0791","","","","","","1.039","","","","has coordinates","259419","2020-12-02","00:12:37",""
"1560123","17.9007","0.0002","6.3022","0.0001","20.9554","0.0002","90","","105.356","0.001","90","","2279.66","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560124","17.8855","0.0002","6.3218","0.0001","21.0313","0.0003","90","","105.346","0.001","90","","2293.19","0.06","110","0.1","110","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24.63 H29.26 N2 O6.32 -","- C24.63 H29.259 N2 O6.315 -","- C98.52 H117.036 N8 O25.26 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0342","0.0335","","","0.0874","0.0882","","","","","","1.04","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560265","29.604","0.014","12.869","0.004","29.396","0.014","90","","114.68","0.02","90","","10176","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H58 Cl4 N2 O5 P2 Ru -","- C50 H58 Cl4 N2 O5 P2 Ru -","- C400 H464 Cl32 N16 O40 P16 Ru8 -","8","2","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1347","0.0617","","","0.1278","0.1524","","","","","","1.015","","","","has coordinates","264853","2021-05-05","07:55:41",""
"1560285","35.002","0.002","5.4539","0.0004","23.7081","0.0014","90","","126.11","0.003","90","","3656.3","0.4","293","2","293.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C152 H208 O56 -","8","2","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54178","CuKα","","0.1219","0.0882","","","0.212","0.2404","","","","","","1.046","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560313","21.9099","0.0011","6.5137","0.0004","14.4743","0.0008","90","","115.663","0.002","90","","1861.93","0.18","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","RNH378","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0489","0.0423","","","0.1005","0.1041","","","","","","1.07","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560377","15.2153","0.0005","9.4589","0.0003","8.9097","0.0003","90","","108.058","0.0009","90","","1219.12","0.07","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C6 H28 Cl Ga3 N6 O16 P4 -","- C6 H28 Cl Ga3 N6 O16 P4 -","- C12 H56 Cl2 Ga6 N12 O32 P8 -","2","0.5","","Gao, Fan; Huang, Liangliang; Ma, Yike; Jiao, Shufei; Jiang, Yansong; Bi, Yanfeng","Ionothermal synthesis, characterization of a new layered gallium phosphate with an unusual heptamer SBU","Journal of Solid State Chemistry","2017","254","","155","159","10.1016/j.jssc.2017.07.010","","","0.71073","MoKα","","0.0461","0.0336","","","0.051","0.0531","","","","","","1.062","","","","has coordinates","261958","2021-02-15","10:05:01",""
"1560570","17.62646","0.00004","6.970438","0.000016","12.11419","0.00003","90","","133.741","0.00008","90","","1075.33","0.005","433","","433","","","","","","","","","3","C 1 2 1","C 2y","5","hydrated rhabdophane","","","- O4.5 P Sm -","- O4.5 P Sm -","- O54 P12 Sm12 -","12","3","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas","In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy)","Journal of Solid State Chemistry","2017","249","","221","227","10.1016/j.jssc.2017.03.004","powder diffraction","","0.58403","synchrotron","","","","","","","","","6.2922","","","","","","","","has coordinates","262154","2021-02-23","08:32:17",""
"1560704","19.5794","0.0007","9.9646","0.0004","12.819","0.0004","90","","113.599","0.001","90","","2291.84","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H30 N2 O5 -","- C23 H30 N2 O5 -","- C92 H120 N8 O20 -","4","1","","Chear, Nelson Jeng-Yeou; León, Francisco; Sharma, Abhisheak; Kanumuri, Siva Rama Raju; Zwolinski, Grant; Abboud, Khalil A.; Singh, Darshan; Restrepo, Luis F.; Patel, Avi; Hiranita, Takato; Ramanathan, Surash; Hampson, Aidan J.; McMahon, Lance R.; McCurdy, Christopher R.","Exploring the Chemistry of Alkaloids from Malaysian Mitragyna speciosa (Kratom) and the Role of Oxindoles on Human Opioid Receptors","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01055","","","1.54178","CuKα","","0.0461","0.0451","","","0.1252","0.1265","","","","","","1.031","","","","has coordinates","262282","2021-02-27","00:16:37",""
"1560711","4.3496","0.0002","13.9735","0.0007","10.562","0.0005","90","","90","","90","","641.95","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Ag4 Ba5 Se12 U2.5 -","- Ag4 Ba5 Se12 U2.5 -","- Ag4 Ba5 Se12 U2.5 -","1","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.","Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12","Journal of Solid State Chemistry","2018","268","","30","35","10.1016/j.jssc.2018.08.025","","x-ray","0.71073","MoKα","","0.0848","0.0612","","","0.1613","0.1708","","","","4.32","4.32","3.88","","","","has coordinates","262306","2021-02-27","10:48:37",""
"1560712","4.4084","0.0002","13.9459","0.0007","10.5601","0.0006","90","","90","","90","","649.23","0.06","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Ag4 Ba6 Se12 U2 -","- Ag4 Ba6 Se12 U2 -","- Ag4 Ba6 Se12 U2 -","1","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.","Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12","Journal of Solid State Chemistry","2018","268","","30","35","10.1016/j.jssc.2018.08.025","","","0.71073","MoKα","","0.1111","0.0662","","","0.099","0.1093","","","","2.07","2.07","1.82","","","","has coordinates","262307","2021-02-27","10:49:46",""
"1560783","15.537","0.003","10.105","0.003","11.158","0.003","90","","99.111","0.004","90","","1729.7","0.8","173","2","173.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H19 N3 O4 Zn -","- C17 H19 N3 O4 Zn -","- C68 H76 N12 O16 Zn4 -","4","1","","Contejean, Zaria I.; LaDuca, Robert L.","Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies","Journal of Solid State Chemistry","2018","266","","44","53","10.1016/j.jssc.2018.06.034","","","0.71073","MoKα","","0.0467","0.041","","","0.0942","0.0972","","","","","","1.077","","","","has coordinates","262389","2021-03-03","09:44:44",""
"1560984","31.9058","0.0006","17.2344","0.0003","20.9913","0.0004","90","","102.315","0.001","90","","11277","0.4","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H109.1 N12 O23 -","- C119 H109.1 N12 O23 -","- C476 H436.4 N48 O92 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.34143","GaKα","","0.0984","0.0879","","","0.2449","0.2617","","","","","","1.083","","","","has coordinates,has disorder","265926","2021-06-05","17:57:57",""
"1560985","31.8864","0.0019","17.2148","0.001","20.9689","0.0012","90","","102.403","0.003","90","","11241.6","1.1","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C115.5 H108.1 N17 O23.2 -","- C115.5 H108.1 N17 O23.2 -","- C462 H432.4 N68 O92.8 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.54178","CuKα","","0.0746","0.0713","","","0.2088","0.2145","","","","","","1.053","","","","has coordinates,has disorder","265926","2021-06-05","17:57:58",""
"1561200","15.983","0.003","6.9023","0.0012","18.329","0.003","90","","106.408","0.003","90","","1939.7","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H40 Cu F6 N10 O9 -","- C36 H40 Cu F6 N10 O9 -","- C72 H80 Cu2 F12 N20 O18 -","2","0.5","","Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties","Journal of Solid State Chemistry","2018","259","","19","27","10.1016/j.jssc.2017.12.029","","","0.71073","MoKα","","0.0638","0.0514","","","0.1187","0.1273","","","","","","1.026","","","","has coordinates","263246","2021-03-23","08:42:22",""
"1561376","36.459","0.004","8.6753","0.0008","13.8617","0.001","90","","98.333","0.007","90","","4338.1","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound 7","Compound 7","","- C23 H27 F2 N5 O2 -","- C23 H27 F2 N5 O2 -","- C184 H216 F16 N40 O16 -","8","2","","Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim","Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.","Journal of medicinal chemistry","2021","","","","","10.1021/acs.jmedchem.0c02085","","","1.54178","CuKα","","0.1733","0.1629","","","0.3854","0.3938","","","","","","1.091","","","","has coordinates","263457","2021-03-30","23:07:22",""
"1561407","25.6433","0.0008","13.3904","0.0004","15.1209","0.0005","90","","92.753","0.003","90","","5186.1","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H31 Cd2.5 N5 O16.5 -","- C36 H31 Cd2.5 N5 O16.5 -","- C144 H124 Cd10 N20 O66 -","4","1","","Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian","A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties","Journal of Solid State Chemistry","2016","241","","105","109","10.1016/j.jssc.2016.06.001","","","1.54178","CuKα","","0.0469","0.0434","","","0.1093","0.113","","","","","","1.058","","","","has coordinates","263520","2021-04-01","08:21:17",""
"1561408","25.7374","0.0004","13.3941","0.0002","15.1777","0.0003","90","","92.727","0.002","90","","5226.27","0.15","293.67","0.1","293.67","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H31 Cd2.5 N5 O16.5 -","- C36 H31 Cd2.5 N5 O16.5 -","- C144 H124 Cd10 N20 O66 -","4","1","","Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian","A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties","Journal of Solid State Chemistry","2016","241","","105","109","10.1016/j.jssc.2016.06.001","","","1.54178","CuKα","","0.0355","0.0349","","","0.0966","0.0977","","","","","","0.965","","","","has coordinates","263520","2021-04-01","08:21:17",""
"1561683","18.3548","0.0005","9.4095","0.0002","9.0552","0.0002","90","","94.461","0.001","90","","1559.18","0.06","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H10 N6 O6 Pb -","- C12 H10 N6 O6 Pb -","- C48 H40 N24 O24 Pb4 -","4","1","","Sun, Jiayin; Liu, Lu; Cheng, Fangfang; Hu, Meng; Qin, Wei; Huang, Rongyi; Wu, Genhua","A homochiral lead(II) double-stranded helical coordination network as luminescent sensor for iron(III)","Journal of Solid State Chemistry","2019","277","","769","772","10.1016/j.jssc.2019.05.049","","","0.71073","MoKα","","0.0546","0.0528","","","0.1271","0.1307","","","","","","1.171","","","","has coordinates","264082","2021-04-13","09:16:48",""
"1561701","22.5244","0.0002","10.26708","0.0001","12.02634","0.00011","90","","96.6693","0.0009","90","","2762.39","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H33 N O9 S -","- C26 H33 N O9 S -","- C104 H132 N4 O36 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0359","0.0355","","","0.0938","0.0944","","","","","","1.012","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1562118","64.413","0.002","7.1861","0.0002","22.2867","0.0007","90","","99.221","0.001","90","","10182.7","0.5","115","2","115","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.69 H47.76 N5 O4.94 Si2 -","- C28.6913 H47.7653 N5 O4.94133 Si2 -","- C344.296 H573.184 N60 O59.296 Si24 -","12","3","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0746","0.0646","","","0.1792","0.1909","","","","","","1.024","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562220","12.157","","4.588","","17.668","","90","","104.86","","90","","952.498","","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H7 K N3 O2.5 -","- C8 H7 K N3 O2.5 -","- C32 H28 K4 N12 O10 -","4","1","","Wang, Jin-Hua; Tang, Gui-Mei; Qin, Ting-Xiao; Yan, Shi-Chen; Wang, Yong-Tao; Cui, Yue-Zhi; Weng Ng, Seik","A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties","Journal of Solid State Chemistry","2014","219","","55","66","10.1016/j.jssc.2014.07.003","","","0.71073","MoKα","","0.0311","0.0299","","","0.0828","0.0837","","","","","","1.108","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1562347","24.152","0.004","9.2708","0.0016","6.9096","0.0011","90","","94.898","0.005","90","","1541.5","0.4","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","NATPP0083","","- C34 H42 O12 -","- C34 H42 O12 -","- C68 H84 O24 -","2","0.5","","Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama","Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>.","Journal of natural products","2021","84","4","1149","1162","10.1021/acs.jnatprod.0c01212","","x-ray","1.54178","CuKα","K-L~3~","0.031","0.0308","","","0.0924","0.0926","","","","","","1.14","","","","has coordinates","264807","2021-05-03","22:58:57",""
"1562641","19.0173","0.0019","7.3088","0.0007","18.6844","0.0018","90","","117.511","0.006","90","","2303.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H14 Cd3 N2 O27 -","- C32 H14 Cd3 N2 O27 -","- C64 H28 Cd6 N4 O54 -","2","0.5","","Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li","Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid","Journal of Solid State Chemistry","2013","202","","250","256","10.1016/j.jssc.2013.03.030","","","0.71073","MoKα","","0.0704","0.0668","","","0.1674","0.1694","","","","","","1.153","","","","has coordinates","265298","2021-05-18","08:36:08",""
"1562691","18.8016","0.0017","21.9859","0.0017","28.453","0.002","90","","108.666","0.006","90","","11143","1.6","170","2","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C100 H65 Br6 N12 O15 -","- C100 H65 Br6 N12 O15 -","- C400 H260 Br24 N48 O60 -","4","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","1.34139","GaKα","","0.2889","0.1777","","","0.3724","0.4512","","","","","","1.044","","","","has coordinates","267039","2021-07-05","16:22:29",""
"1562729","5.352","0.0011","9.27","0.0019","12.145","0.002","90","","98.35","0.03","90","","596.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","one-layer hydrate sodium brittle mica","","","- Al1.65 F2 Mg3 Na1.65 O13 Si2.35 -","- Al1.702 F2 Mg3 Na1.7 O13 Si2.312 -","- Al3.404 F4 Mg6 Na3.4 O26 Si4.624 -","2","0.5","","Kalo, Hussein; Milius, Wolfgang; Bräu, Michael; Breu, Josef","Synthesis and single crystal structure refinement of the one-layer hydrate of sodium brittle mica","Journal of Solid State Chemistry","2013","198","","57","64","10.1016/j.jssc.2012.09.026","","","0.71073","MoKα","","0.1522","0.0832","","","0.2107","0.2452","","","","","","0.986","","","","has coordinates","265374","2021-05-20","09:38:06",""
"1562742","32.412","0.012","6.476","0.003","23.549","0.008","90","","132.313","0.005","90","","3655","3","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H100 F4 N6 O21 S4 -","- C68 H100 F4 N6 O21 S4 -","- C136 H200 F8 N12 O42 S8 -","2","0.5","","Zhang, Dongfeng; Li, Peng; Gao, Yongxin; Song, Yaoyao; Zhu, Yaqin; Su, Hong; Yang, Beibei; Li, Li; Li, Gang; Gong, Ningbo; Lu, Yang; Shao, Huanjie; Yu, Chunrong; Huang, Haihong","Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase Including the T315I-Resistant Mutant for the Treatment of Chronic Myeloid Leukemia","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00082","","","1.54178","CuKα","","0.0624","0.0562","","","0.1368","0.1426","","","","","","1.015","","","","has coordinates,has disorder","265381","2021-05-20","22:59:07",""
"1563168","17.059","0.001","8.7467","0.0004","18.855","0.001","90","","111.468","0.004","90","","2618.2","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate","1-Ethoxy-1-oxopropan-2-aminium tetracyanoborate","","- C9 H12 B N5 O2 -","- C9 H12 B N5 O2 -","- C72 H96 B8 N40 O16 -","8","2","HB4385","Peppel, Tim; Köckerling, Martin","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate, (C~5~H~12~NO)[B(CN)~4~]","IUCrData","2021","6","6","x210562","","10.1107/S2414314621005629","","","0.71073","MoKα","","0.0857","0.0531","","","0.1155","0.1328","","","","","","1.003","","","","has coordinates,has Fobs","265829","2021-06-05","05:47:10",""
"1563591","46.6254","0.0009","6.7239","0.0001","10.3609","0.0002","90","","96.127","0.001","90","","3229.63","0.1","170","2","169.98","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H48 O5 -","- C38 H48 O5 -","- C152 H192 O20 -","4","1","","Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min","Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC02710G","","","1.34139","GaKα","","0.0647","0.0554","","","0.1416","0.1514","","","","","","1.021","","","","has coordinates","266581","2021-06-20","00:47:30",""
"1563593","18.0938","0.001","7.0743","0.0004","24.2239","0.0014","90","","92.505","0.003","90","","3097.7","0.3","170","","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H46 O5 -","- C38 H46 O5 -","- C152 H184 O20 -","4","1","","Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min","Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC02710G","","","1.54178","CuKα","","0.0563","0.0516","","","0.1218","0.1279","","","","","","1.087","","","","has coordinates,has disorder","266582","2021-06-20","00:48:03",""
"1563844","13.736","0.002","12.6224","0.0017","11.9852","0.0018","90","","107.038","0.005","90","","1986.8","0.5","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H36 Br2 Hg N6 O6 S2 -","- C34 H36 Br2 Hg N6 O6 S2 -","- C68 H72 Br4 Hg2 N12 O12 S4 -","2","0.5","","Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue","Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands","Inorganica Chimica Acta","2018","483","","252","257","10.1016/j.ica.2018.08.020","","","0.71073","MoKα","","0.0429","0.0353","","","0.0894","0.0931","","","","","","1.04","","","","has coordinates","266864","2021-07-01","08:51:43",""
"1564087","25.6197","0.0018","7.7014","0.0005","23.3224","0.0016","90","","91.981","0.001","90","","4598.9","0.5","100","2","100.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H20 Ag2 F22 N2 O9 -","- C44 H20 Ag2 F22 N2 O9 -","- C176 H80 Ag8 F88 N8 O36 -","4","1","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0258","0.0242","","","0.0528","0.0532","","","","","","1.017","","","","has coordinates","267428","2021-07-09","09:28:26",""
"1564255","21.1145","0.0004","12.0659","0.0003","17.7473","0.0003","90","","98.805","0.002","90","","4468.11","0.16","159.99","0.1","159.99","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H54 O13 -","- C48 H54 O13 -","- C192 H216 O52 -","4","1","","Wang, Haiying; Yang, Weiwei; Baldridge, Kim K.; Zhan, Cai-Hong; Thikekar, Tushar Ulhas; Sue, Andrew C.-H.","Spontaneous and induced chiral symmetry breaking of stereolabile pillar[5]arene derivatives upon crystallisation","Chemical Science","2021","","","","","10.1039/D1SC02560K","","","1.54184","CuKα","","0.071","0.0509","","","0.1228","0.1375","","","","","","1.036","","","","has coordinates,has disorder","267771","2021-07-28","01:29:43",""
"1564256","21.2498","0.0002","11.9934","0.0001","17.8835","0.0001","90","","98.726","0.001","90","","4504.99","0.06","200","0.1","200","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H56 O13 -","- C48 H56 O13 -","- C192 H224 O52 -","4","1","","Wang, Haiying; Yang, Weiwei; Baldridge, Kim K.; Zhan, Cai-Hong; Thikekar, Tushar Ulhas; Sue, Andrew C.-H.","Spontaneous and induced chiral symmetry breaking of stereolabile pillar[5]arene derivatives upon crystallisation","Chemical Science","2021","","","","","10.1039/D1SC02560K","","x-ray","1.54184","CuKα","","0.0416","0.0401","","","0.1126","0.1146","","","","","","1.031","","","","has coordinates","267771","2021-07-28","01:29:53",""
"1564261","20.228","0.0004","7.9448","0.0002","10.7105","0.0002","90","","94.888","0.002","90","","1715","0.06","99.93","0.17","99.93","0.17","","","","","","","","4","C 1 2 1","C 2y","5","","Phenyl (S)-2-((4-methoxyphenyl)amino)-2-phenylacetate","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Guo, Wengang; Wang, Min; Han, Zhengyu; Huang, Hai; Sun, Jianwei","Organocatalytic asymmetric synthesis of α-amino esters from sulfoxonium ylides","Chemical Science","2021","","","","","10.1039/D1SC02439F","","x-ray","1.54184","CuKα","","0.0295","0.0283","","","0.0686","0.0695","","","","","","1.04","","","","has coordinates","267794","2021-07-29","01:50:48",""
"1564341","33.96777","0.00012","14.44849","0.00004","31.66428","0.00014","90","","102.711","0.0004","90","","15159.4","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C100.1 H74.4 Cl11.998 N24 O2.2 Zn5.999 -","- C400.4 H297.6 Cl47.992 N96 O8.8 Zn23.996 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0719","0.0703","","","0.2131","0.2169","","","","","","1.083","","","","has coordinates,has disorder","268490","2021-09-06","08:46:02",""
"1564342","33.9894","0.0002","14.4455","0.0001","31.8985","0.0002","90","","103.004","0.001","90","","15260.3","0.18","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C400.4 H297.6 Cl48 N96 O8.8 Zn24 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0831","0.0791","","","0.2365","0.2446","","","","","","1.062","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564395","24.42","0.008","15.445","0.004","18.629","0.006","90","","137.769","0.004","90","","4722","3","123.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C90 H80 F12 Ir2 N6 O2 P6 -","- C90 H76 F12 Ir2 N6 O2 P6 -","- C180 H152 F24 Ir4 N12 O4 P12 -","2","0.5","","Yan, Juchao; Wilson, Reid W.; Buck, Jason T.; Grills, David C.; Reinheimer, Eric W.; Mani, Tomoyasu","IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions","Chemical Science","2021","","","","","10.1039/D1SC03455C","","","0.7107","MoKa","","","0.0474","","","","0.1177","","","","","","1.09","","","","has coordinates","268186","2021-08-24","22:11:51",""
"1564540","19.8231","0.0007","7.5996","0.0002","24.2836","0.0008","90","","112.008","0.004","90","","3391.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","1","","Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong","Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.","Materials horizons","2021","8","10","2816","2822","10.1039/d1mh00956g","","x-ray","1.54184","CuKα","","0.0768","0.0727","","","0.2107","0.2171","","","","","","1.085","","","","has coordinates","269791","2021-10-06","16:23:05",""
"1564599","34.933","0.002","11.774","0.0006","22.6543","0.0013","90","","114.401","0.003","90","","8485.4","0.8","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47.5 H59.5 Cl0.5 N6 -","- C47.5 H59.5 Cl0.5 N6 -","- C380 H476 Cl4 N48 -","8","2","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","0.71073","MoKα","","0.1702","0.0865","","","0.2155","0.2764","","","","","","1.017","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1564638","40.0184","0.0007","9.7379","0.0001","18.3964","0.0004","90","","115.87","0.002","90","","6450.6","0.2","123","1","123","1","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C39.6 H38.4 Al B Br2 F36 Fe2 O4 P10 -","- C36 H30 Al B Br2 F36 Fe2 O4 P10 -","- C144 H120 Al4 B4 Br8 F144 Fe8 O16 P40 -","4","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","x-ray","1.54184","CuKα","","0.0432","0.0425","","","0.1109","0.1117","","","","","","1.037","","","","has coordinates,has disorder","269134","2021-09-14","22:13:23",""
"1564969","38.635","0.002","7.5167","0.0004","11.6786","0.0006","90","","104.075","0.002","90","","3289.7","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Fe N2 Se2 -","- C16 H18 Fe N2 Se2 -","- C128 H144 Fe8 N16 Se16 -","8","2","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0477","0.038","","","0.0559","0.0596","","","","","","1.133","","","","has coordinates","269993","2021-10-18","08:25:54",""
"1564987","29.387","0.002","25.383","0.002","13.953","0.001","90","","94.746","0.004","90","","10372.3","1.3","170","2","170","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C87 H72 N3 O12 Zn3 -","- C87 H72 N3 O12 Zn3 -","- C348 H288 N12 O48 Zn12 -","4","1","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0722","0.0603","","","0.1482","0.156","","","","","","1","","","","has coordinates","270008","2021-10-18","09:53:08",""
"1565125","20.765","0.002","7.8674","0.0008","13.6282","0.0013","90","","110.216","0.005","90","","2089.2","0.4","150","2","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 Br N2 O3 -","- C25 H25 Br N2 O3 -","- C100 H100 Br4 N8 O12 -","4","1","","Xu, Wen-Lei; Zhao, Wei-Ming; Zhang, Ru-Xia; Chen, Jie; Zhou, Ling","Organocatalytic cycloaddition–elimination cascade for atroposelective construction of heterobiaryls","Chemical Science","2021","","","","","10.1039/D1SC05161J","","","1.34139","GaKα","","0.0488","0.048","","","0.1245","0.1252","","","","","","1.053","","","","has coordinates","270328","2021-11-05","23:11:12",""
"1565445","20.562","0.017","12.45","0.009","13.909","0.012","90","","118.685","0.011","90","","3124","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Cu2 N4 O8 -","- C30 H39 Cu2 N4 O8 -","- C120 H156 Cu8 N16 O32 -","4","1","","Zhao, Fang-Hua; Li, Zhong-Lin; He, Yuan-Chun; Zhang, Mei; Han, Jun; Fan, Sheng-Qing; Li, Yu-Shuo; You, Jin-Mao","Syntheses, structures and magnetism of two Cu(II) coordination polymers of d-camphorate controlled by metal-ligand ratio","Inorganica Chimica Acta","2020","502","","119387","","10.1016/j.ica.2019.119387","","","0.71073","MoKα","","0.0902","0.0741","","","0.175","0.1886","","","","","","1.049","","","","has coordinates","270937","2021-11-30","09:58:33",""
"1566021","14.659","0.002","9.0379","0.0015","8.452","0.0014","90","","112.93","0.002","90","","1031.3","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H24 Br2 Co N4 O2 -","- C20 H24 Br2 Co N4 O2 -","- C40 H48 Br4 Co2 N8 O4 -","2","0.5","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro","Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors","Inorganica Chimica Acta","2022","529","","120667","","10.1016/j.ica.2021.120667","","","0.71073","MoKα","","0.0511","0.0466","","","0.1125","0.1166","","","","","","1.113","","","","has coordinates,has disorder","272102","2022-01-18","10:37:12",""
"1566023","14.564","0.002","9.4125","0.0014","8.5445","0.0013","90","","112.074","0.002","90","","1085.5","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H24 Co I2 N4 O2 -","- C20 H24 Co I2 N4 O2 -","- C40 H48 Co2 I4 N8 O4 -","2","0.5","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro","Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors","Inorganica Chimica Acta","2022","529","","120667","","10.1016/j.ica.2021.120667","","","0.71073","MoKα","","0.044","0.0383","","","0.0775","0.0797","","","","","","1.009","","","","has coordinates","272102","2022-01-18","10:37:13",""
"1566178","26.2664","0.0012","12.1527","0.0006","14.214","0.0007","90","","114.85","0.001","90","","4117.1","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C49 H104 Ce4 Fe4 N16 O29 -","- C49 H103 Ce4 Fe4 N16 O29 -","- C98 H206 Ce8 Fe8 N32 O58 -","2","0.5","","Baca, Svetlana G.; Amombo Noa, Francoise M.; Öhrström, Lars","Octanuclear heterometallic FeIII-CeIV pivalate clusters: From a close {Fe4Ce4(μ4-O)4} cage to an open {Fe4Ce4(μ4-O)2(μ3-O)2} core","Inorganica Chimica Acta","2021","515","","120038","","10.1016/j.ica.2020.120038","","","0.71073","MoKα","","0.0367","0.0292","","","0.0609","0.0632","","","","","","1.022","","","","has coordinates,has disorder","272291","2022-01-27","10:48:43",""
"1566414","38.805","0.005","6.6795","0.0009","16.442","0.002","90","","91.833","0.002","90","","4259.6","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","kk00_24","","","- C20 H22 N4 S2 Zn -","- C20 H22 N4 S2 Zn -","- C160 H176 N32 S16 Zn8 -","8","2","","Koskela, Kristopher M.; Quiton, Stephen J.; Sharada, Shaama Mallikarjun; Williams, Travis J.; Brutchey, Richard L.","Kinetics and mechanistic details of bulk ZnO dissolution using a thiol–imidazole system","Chemical Science","2022","","","","","10.1039/D1SC06667F","","","0.71073","MoKα","","0.0414","0.0395","","","0.1094","0.1104","","","","","","1.109","","","","has coordinates,has disorder","273166","2022-02-25","23:08:46",""
"1566588","29.3277","0.0009","7.49483","0.00019","18.2663","0.0006","90","","124.382","0.005","90","","3313.6","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H32 F3 N O5 S -","- C36 H32 F3 N O5 S -","- C144 H128 F12 N4 O20 S4 -","4","1","","Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong","Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins","Chemical Science","2022","","","","","10.1039/D1SC07044D","","x-ray","1.54184","CuKα","","0.058","0.0518","","","0.1436","0.1521","","","","","","1.043","","","","has coordinates,has disorder","273621","2022-03-10","23:19:19",""
"1566612","14.7648","0.0015","6.0876","0.0005","26.974","0.002","90","","96.281","0.009","90","","2409.9","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H39 F O4 -","- C26 H39 F O4 -","- C104 H156 F4 O16 -","4","1","","Jiang, Liyin; Sarró, Pau; Teo, Wei Jie; Llop, Jordi; Suero, Marcos","Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters","Chemical Science","2022","","","","","10.1039/D2SC00968D","","","0.71075","MoKα","","0.0662","0.0493","","","0.1153","0.1231","","","","","","1.028","","","","has coordinates,has disorder","273704","2022-03-15","23:15:30",""
"1566740","21.8423","0.0011","11.6968","0.0006","19.7476","0.001","90","","98.58","0.002","90","","4988.8","0.4","110","","110","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H10 B11 Cl11 F6 -","- C20 H10 B11 Cl11 F6 -","- C120 H60 B66 Cl66 F36 -","6","1.5","","Gunther, S. Olivia; Lee, Chun-I; Song, Ellen; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Isolable Fluorinated Triphenymethyl Cation Salts of [HCB11Cl11]-: Demonstration of Remarkable Hydride Affinity","Chemical Science","2022","","","","","10.1039/D1SC05936J","","","0.71073","MoKα","","0.0264","0.0224","","","0.0531","0.0542","","","","","","1.061","","","","has coordinates,has disorder","274358","2022-04-05","22:19:29",""
"1566770","20.799","0.0005","14.2717","0.0004","20.0159","0.0006","90","","114.881","0.001","90","","5390","0.3","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C54 H78 Cl2 N10 O4 -","- C54 H78 Cl2 N10 O4 -","- C216 H312 Cl8 N40 O16 -","4","1","","Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas","Chemical Science","2022","","","","","10.1039/D2SC00876A","","","0.71073","MoKα","","0.0396","0.0393","","","0.1036","0.104","","","","","","1.061","","","","has coordinates","274436","2022-04-08","22:17:23",""
"1566864","14.361","0.002","11.6776","0.0018","20.98","0.004","90","","92.239","0.01","90","","3515.7","1","220","2","220","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28.5 H56 I N3 O P2 -","- C28.5 H56 I N3 O P2 -","- C114 H224 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.1228","0.0719","","","0.1626","0.191","","","","","","1.036","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566867","14.3333","0.0007","11.7334","0.0005","18.0008","0.0008","90","","97.111","0.002","90","","3004.1","0.2","220","2","220","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H48 I N3 O P2 -","- C23 H48 I N3 O P2 -","- C92 H192 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0771","0.0752","","","0.2081","0.2129","","","","","","1.057","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566868","14.3801","0.0005","11.8816","0.0005","20.9273","0.0009","90","","100.971","0.002","90","","3510.3","0.2","220","2","220","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28.5 H56 I N3 O P2 -","- C28.5 H56 I N3 O P2 -","- C114 H224 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0773","0.065","","","0.1707","0.1836","","","","","","1.079","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1567340","28.311","0.003","9.3672","0.0009","15.1782","0.0016","90","","102.115","0.004","90","","3935.5","0.7","150","2","150","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C18 H28 Au Cl N2 O -","- C18 H28 Au Cl N2 O -","- C144 H224 Au8 Cl8 N16 O8 -","8","2","","Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc","Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis","Chemical Science","2022","","","","","10.1039/D2SC02908A","","x-ray","0.71073","MoKα","","0.0351","0.029","","","0.0598","0.0619","","","","","","1.024","","","","has coordinates","276810","2022-07-22","23:02:38",""
"1567440","37.83","0.02","4.929","0.003","12.845","0.007","90","","97.014","0.013","90","","2377","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C92 H160 N8 O20 -","4","1","","Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki","Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array","Chemical Science","2022","13","33","9614","9623","10.1039/D2SC01737G","","","0.71073","MoKα","","0.1303","0.0668","","","0.1355","0.1804","","","","","","0.996","","","","has coordinates","277664","2022-09-06","09:58:36",""
"1567838","25.313","0.003","15.0309","0.0018","19.673","0.002","90","","95.136","0.004","90","","7455.1","1.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C123 H53 Lu3 N5 Ni -","- C123 H53 Lu3.0001 N5 Ni -","- C492 H212 Lu12.0004 N20 Ni4 -","4","1","","Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing","Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation","Nanoscale","2022","","","","","10.1039/D2NR05049H","","","0.7336","synchrotron","","0.1338","0.1229","","","0.2943","0.304","","","","","","1.039","","","","has coordinates,has disorder","278760","2022-10-25","00:32:38",""
"1568408","15.093","0.009","14.455","0.007","15.759","0.008","90","","108.451","0.018","90","","3261","3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H30 B2 Cl2 F8 N6 -","- C26 H30 B2 Cl2 F8 N6 -","- C104 H120 B8 Cl8 F32 N24 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0583","0.0524","","","0.1276","0.1295","","","","","","1.143","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568756","34.102","0.005","14.485","0.002","6.6087","0.0011","90","","94.96","0.01","90","","3252.3","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16.19 H20.19 Cl1.59 O5.5 -","- C16.1895 H20.1894 Cl1.5685 O5.5 -","- C129.516 H161.515 Cl12.548 O44 -","8","2","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0969","0.084","","","0.2207","0.2291","","","","","","1.065","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568957","7.373","0.003","12.555","0.004","12.999","0.005","90","","95.859","0.012","90","","1197","0.8","100","","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C11 H24 Cu10 I8 N4 O4.33 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","1","0.25","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.0968","0.0685","","","0.1756","0.2021","","","","","","1.045","","","","has coordinates","284242","2023-06-05","04:10:26",""
"1568996","17.9138","0.0006","6.1604","0.0002","15.2956","0.0006","90","","106.418","0.004","90","","1619.14","0.1","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0626","0.0562","","","0.1412","0.1477","","","","","","1.041","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569001","25.3714","0.0005","6.05801","0.0001","23.3168","0.0005","90","","112.787","0.002","90","","3304.09","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H52 O4 -","- C38 H52 O4 -","- C152 H208 O16 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0474","0.0446","","","0.1146","0.1169","","","","","","1.069","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569019","14.8421","0.0004","6.7381","0.0002","12.6407","0.0006","90","","120.534","0.002","90","","1088.86","0.07","305","","305","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Br2 N2 O6 -","- C5 H8 Br2 N2 O6 -","- C20 H32 Br8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0469","0.0408","","","0.0952","0.098","","","","","","1.132","","","","has coordinates","284900","2023-07-05","09:45:23",""
"1569027","14.7924","0.0015","6.6138","0.0006","12.57","0.002","90","","121.68","0.004","90","","1046.5","0.2","296","","296","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Cl2 N2 O6 -","- C5 H8 Cl2 N2 O6 -","- C20 H32 Cl8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0279","0.0258","","","0.0618","0.0632","","","","","","1.065","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569084","19.1245","0.0015","24.418","0.0018","15.6004","0.0011","90","","109.5","0.005","90","","6867.2","0.9","100","2","100","2","","","","","","","as described","3","C 1 2 1","C 2y","5","","","","- C51 H82 O46.5 -","- C51 H82 O46.5 -","- C204 H328 O186 -","4","1","","Mazurek, Anna Helena; Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Dudek, Marta Katarzyna; Zielińska-Pisklak, Monika; Pisklak, Dariusz Maciej","17-β-Estradiol—β-Cyclodextrin Complex as Solid: Synthesis, Structural and Physicochemical Characterization","Molecules","2023","28","9","3747","","10.3390/molecules28093747","","x-ray","1.54178","CuKα","","0.104","0.0952","","","0.2591","0.2688","","","","","","1.038","","","","has coordinates,has disorder","283558","2023-05-06","01:39:58",""
"1569323","50.1","0.2","6.67","0.02","12.67","0.01","90","","98.52","0.06","90","","4187","2","103","2","103","2","","","","","","","","3","C 1 2 1","C 2y","5","","Sartorypyrone F","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Lin, Shu-Yi; Oakley, C. Elizabeth; Jenkinson, Cory B.; Chiang, Yi-Ming; Lee, Ching-Kuo; Jones, Christopher G.; Seidler, Paul M.; Nelson, Hosea M.; Todd, Richard B.; Wang, Clay C. C.; Oakley, Berl R.","A heterologous expression platform in <i>Aspergillus nidulans</i> for the elucidation of cryptic secondary metabolism biosynthetic gene clusters: discovery of the <i>Aspergillus fumigatus</i> sartorypyrone biosynthetic pathway.","Chemical science","2023","14","40","11022","11032","10.1039/d3sc02226a","","","0.02508","200KeVelectrons","","0.1645","0.1502","","","0.3261","0.3363","","","","","","1.285","","","","has coordinates","287319","2023-11-06","07:01:39",""
"1569744","35.3671","0.0011","7.1383","0.0002","28.5374","0.0006","90","","98.983","0.002","90","","7116.2","0.3","293","","293","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C64 H72 Ag2 B2 F8 N8 O12 -","- C64 H72 Ag2 B2 F8 N8 O12 -","- C256 H288 Ag8 B8 F32 N32 O48 -","4","1","","An, Shuguo; Hao, Aiyou; Xing, Pengyao","Supramolecular axial chirality in [N-I-N]<sup>+</sup>-type halogen bonded dimers.","Chemical science","2023","14","37","10194","10202","10.1039/d3sc03170e","","x-ray","1.54184","CuKα","","0.1242","0.0706","","","0.1668","0.1908","","","","","","1.002","","","","has coordinates","286701","2023-10-05","23:44:25",""
"1569845","22.679","0.0012","5.6876","0.0003","8.1653","0.0004","90","","99.864","0.005","90","","1037.66","0.09","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H36 Br O4 P -","- C16 H36 Br O4 P -","- C32 H72 Br2 O8 P2 -","2","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0219","0.0205","","","0.0471","0.0479","","","","","","1.045","","","","has coordinates","286703","2023-10-05","23:44:46",""
"1569904","32.1431","0.0008","7.189","0.0002","11.8007","0.0003","90","","98.963","0.002","90","","2693.57","0.12","302","2","302","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H44 N2 O8 S2 -","- C58 H44 N2 O8 S2 -","- C116 H88 N4 O16 S4 -","2","0.5","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0554","0.0425","","","0.1046","0.1151","","","","","","1.066","","","","has coordinates","287308","2023-11-06","06:51:36",""
"1570272","7.1985","0.0006","12.3419","0.0009","11.5711","0.0009","90","","103.281","0.003","90","","1000.52","0.14","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H12 Cl3 N8 O4 Ru -","- C12 H12 Cl3 N8 O4 Ru -","- C24 H24 Cl6 N16 O8 Ru2 -","2","0.5","","Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José","Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.","Molecules (Basel, Switzerland)","2023","28","20","7213","","10.3390/molecules28207213","","","0.71073","MoKα","","0.0516","0.0448","","","0.0859","0.0899","","","","","","1.126","","","","has coordinates","287455","2023-11-07","02:57:42",""
"1571192","14.1533","0.0004","6.0972","0.0002","15.4812","0.0004","90","","100.501","0.002","90","","1313.58","0.07","99.95","0.13","99.95","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","","1.54184","CuKα","","0.0656","0.0627","","","0.1533","0.1588","","","","","","1.059","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571240","34.6961","0.0003","14.6388","0.0001","18.863","0.0001","90","","90.751","0.001","90","","9579.87","0.12","99.99","0.1","99.99","0.1","","","100","","","","synthetic","4","C 1 2 1","C 2y","5","LYGGG Q8 complex","L-leucyl-L-tyrosylglycylglycylglycine cucurbit[8]uril complex hydrate","","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","1","0.25","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1308","0.1324","","","","","","1.069","","","","has coordinates,has disorder","290832","2024-04-04","22:40:13",""
"1571315","22.249","0.001","42.9082","0.0014","23.6046","0.0004","90","","92.591","0.003","90","","22511.4","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C220 H264 N6 O21 -","- C176 H176 N6 O10 -","- C704 H704 N24 O40 -","4","1","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","","0.1168","0.0879","","","0.2385","0.272","","","","","","1.002","","","","has coordinates","291556","2024-05-05","01:31:22",""
"1571419","63.7924","0.001","9.6005","0.0001","17.2224","0.0002","90","","90.202","0.001","90","","10547.6","0.2","223.15","","223.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C3 H3 F3 Li N O3 S -","- C3 H3 F3 Li N O3 S -","- C180 H180 F180 Li60 N60 O180 S60 -","60","15","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving Better Solvate Electrolytes for Lithium Secondary Batteries","Chemical Science","2024","","","","","10.1039/D4SC01492H","","","1.54184","CuKα","","0.0624","0.0568","","","0.1364","0.1406","","","","","","1.029","","","","has coordinates,has disorder","291198","2024-04-15","22:21:10",""
"1571495","25.8993","0.0007","6.6206","0.0002","13.4938","0.0003","90","","96.425","0.002","90","","2299.23","0.11","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","(<i>S</i>~C~,<i>R</i>~S~)-Bromido(<i>N</i>-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-<i>N'</i>-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","","- C21 H25 Br2 N3 Pd S -","- C21 H25 Br2 N3 Pd S -","- C84 H100 Br8 N12 Pd4 S4 -","4","1","ZL4070","Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru","(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","IUCrData","2024","9","4","","","10.1107/S2414314624003602","","x-ray","1.54184","CuKα","","0.0336","0.0299","","","0.0698","0.0723","","","","","","1.036","","","","has coordinates","291389","2024-04-27","02:08:53",""
"1571525","36.1548","0.0008","10.7003","0.0002","12.0413","0.0002","90","","97.414","0.002","90","","4619.44","0.16","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H42 Br2 N2 O7 -","- C51 H46 Br2 N2 O7 -","- C204 H184 Br8 N8 O28 -","4","1","","Lin, Zeng-Gang; Zhang, Peng; Song, Fu-Qiang; Yang, Yuzhu; Miao, Xuan; Liu, Wei-Sheng","By employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials","Chemical Science","2024","","","","","10.1039/D4SC01719F","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1336","0.1403","","","","","","1.129","","","","has coordinates,has disorder","291459","2024-05-02","22:15:16",""
"1571526","36.5216","0.0006","10.8114","0.0002","12.1409","0.0002","90","","97.5803","0.0016","90","","4751.94","0.14","297.74","0.18","297.74","0.18","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H34 Br2 N2 O4 -","- C48 H34 Br2 N2 O4 -","- C192 H136 Br8 N8 O16 -","4","1","","Lin, Zeng-Gang; Zhang, Peng; Song, Fu-Qiang; Yang, Yuzhu; Miao, Xuan; Liu, Wei-Sheng","By employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials","Chemical Science","2024","","","","","10.1039/D4SC01719F","","x-ray","1.54184","CuKα","","0.0413","0.0336","","","0.0867","0.0916","","","","","","1.051","","","","has coordinates,has disorder","291459","2024-05-02","22:15:17",""
"2000064","25.22","0.02","12.22","0.02","15.45","0.02","90","","123.9","0.05","90","","3952.11","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H30 N3 O9 P3 -","- C9 H30 N3 O9 P3 -","- C72 H240 N24 O72 P24 -","8","2","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of isopropylammonium cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1907","1909","10.1107/S0108270188008510","","","","","","","0.039","","","0.039","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000144","30.638","0.006","6.234","0.002","15.262","0.003","90","","93.95","0.02","90","","2908.1","1.2","","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","CR0326","Czerwinski, E. W.","Structure of cortivazol, 11β,17α,21-trihydroxy-6,16α-dimethyl-2'-phenyl-2'<i>H</i>-pregna-2,4,6-trieno[3,2-<i>c</i>]pyrazol-20-one 21-acetate","Acta Crystallographica Section C","1991","47","12","2598","2603","10.1107/S0108270191006200","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000145","26.331","0.002","9.472","0.001","8.311","0.001","90","","92.5","0.01","90","","2070.9","0.4","","","","","","","","","","","","5","C 1 2 1","C 2y","","","","","- C20 H22 Br2 N2 O4 -","- C20 H22 Br2 N2 O4 -","- C80 H88 Br8 N8 O16 -","4","1","HA0043","Mackay, M. F.; Sengupta, S.; Lacey, E.; Burden, P.","Structures of colchicine analogues. IV. An aminodibromoallocolchicine, C~20~H~22~Br~2~N~2~O~4~","Acta Crystallographica Section C","1991","47","12","2615","2618","10.1107/S0108270191006534","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000522","16.247","0.009","11.182","0.007","13.42","0.006","90","","91.62","0.04","90","","2437","2","","","","","","","","","","","","5","C 1 2 1","","","","","","- C21 H25 N O10 S -","- C21 H25 N O10 S -","- C84 H100 N4 O40 S4 -","4","1","PA0259","Durier, V.; Driguez, H.; Rollin, P.; Duee, E.; Buisson, G.","Stereochemical investigation of 2,3,4,6-tetra-<i>O</i>-acetyl-1-<i>S</i>-benzhydroximoyl-α-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1992","48","10","1791","1794","10.1107/S0108270192001550","","","0.711","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000984","15.796","0.004","7.332","0.002","14.498","0.004","90","","113.3","0.02","90","","1542.2","0.8","","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","AL0501","Preut, H.; Bleckmann, P.; Kolev, T.; Juchnovski, I.","Structure of <i>N</i>-[(4-cyanophenyl)(phenyl)methylene]aniline","Acta Crystallographica Section C","1992","48","4","754","756","10.1107/S0108270191011290","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001006","25.184","0.003","7.797","0.001","15.174","0.003","90","","121.05","0.01","90","","2552.6","0.7","","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C26 H46 O6 -","- C26 H46 O6 -","- C104 H184 O24 -","4","1","AS0515","Miki, K.; Masui, A.; Kasai, N.; Goonewardena, W.; Shibakami, M.; Takemoto, K.; Miyata, M.","Structures of 1:1 addition compounds of methyl cholate with methanol and with 2-propanol","Acta Crystallographica Section C","1992","48","3","503","507","10.1107/S0108270191009307","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001007","25.835","0.002","8.137","0.001","15.553","0.002","90","","121.08","0.01","90","","2800.2","0.6","","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C28 H50 O6 -","- C28 H50 O6 -","- C112 H200 O24 -","4","1","AS0515","Miki, K.; Masui, A.; Kasai, N.; Goonewardena, W.; Shibakami, M.; Takemoto, K.; Miyata, M.","Structures of 1:1 addition compounds of methyl cholate with methanol and with 2-propanol","Acta Crystallographica Section C","1992","48","3","503","507","10.1107/S0108270191009307","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001068","20.9469","0.0009","7.7456","0.0003","15.7571","0.0005","90","","102.013","0.005","90","","2500.54","0.17","","","","","","","","","","","","6","C 1 2 1","C 2y","","","","","- C21 H33 Br N O7 P -","- C21 H33 Br N O7 P -","- C84 H132 Br4 N4 O28 P4 -","4","1","AB0223","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; Smits, J. M. M.","Structures of a pair of diastereomeric salts of ephedrine and bromo-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","2","372","376","10.1107/S010827019100906X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2001075","21.078","0.001","7.036","0.002","19.603","0.001","90","","109.05","0.01","90","","2748","0.8","","","","","","","","","","","","5","C 1 2 1","C 2y","","","1-(3-Deoxy-3-phenylseleno-2,5-di-O-pivaloyl-β-D-xylofuranosyl)uracil","","- C25 H23 N2 O7 Se -","- C25 H32 N2 O7 Se -","- C100 H128 N8 O28 Se4 -","4","1","AS0514","Yamaguchi, K.; Matsumura, G.; Haraguchi, K.; Itoh, Y.; Tanaka, H.; Miyasaka, T.","Structure of 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylofuranosyl)uracil","Acta Crystallographica Section C","1992","48","2","387","389","10.1107/S0108270191009101","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","199618","2020-10-21","18:00:00",""
"2001618","16.24","0.002","7.272","0.001","7.987","0.002","90","","116.44","0.01","90","","844.6","0.3","296","","","","","","","","","","","6","C 1 2 1","C 2y","","","","","- C3 H7 Cd Cl2 N O2 -","- C3 Cd Cl2 N O2 -","- C12 Cd4 Cl8 N4 O8 -","4","1","ST1025","Schaffers, K. I.; Keszler, D. A.","Structure of CdCl~2~.C~3~H~7~NO~2~","Acta Crystallographica Section C","1993","49","6","1156","1158","10.1107/S0108270192011570","","","0.71069","MoKα","","","0.063","","","0.088","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001637","23.343","0.009","6.453","0.003","17.683","0.006","90","","128.48","0.03","90","","2085.2","1.7","178","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C100 H108 N4 O8 -","4","1","MU1020","Jones, P. G.; Laue, T.; Hopf, H.","(‒)-(<i>S</i>)-α-Phenylethylammonium (‒)-(<i>R</i>)-[2.2]paracyclophane-4-carboxylate","Acta Crystallographica Section C","1993","49","6","1195","1197","10.1107/S0108270192010527","","","0.71069","MoKα","","","0.038","","","0.044","","","","","1.7","1.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001918","17.002","0.002","18.399","0.002","10.056","0.001","90","","119.21","0.02","90","","2745.7","0.7","293","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C30 H46 O4 -","- C30 O4 -","- C120 O16 -","4","1","LI1025","Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R.","Structure of zizyberannalic acid","Acta Crystallographica Section C","1993","49","3","616","618","10.1107/S0108270192010047","","","1.5418","CuKα","","","0.056","","","0.061","","","","","1.918","1.918","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002024","22.805","0.001","15.156","0.001","8.004","0.002","90","","91.66","0.01","90","","2765.3","0.7","296","1","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C20 H23 N5 O10 -","- C20 H23 N5 O10 -","- C80 H92 N20 O40 -","4","1","HU1015","Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.","Structure of a 6-(tetrahydroxybutyl)-substituted pteridine","Acta Crystallographica Section C","1993","49","2","413","416","10.1107/S0108270192009831","","","1.54178","CuKα","","","0.075","","","0.091","","","","","4.005","4.005","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002146","14.8343","0.0015","8.8012","0.0007","10.375","0.002","90","","93.272","0.015","90","","1352.3","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Pentacopper tetrazinc tris(tellurate)","","- Cu5 O18 Te3 Zn4 -","- Cu5 O18 Te3 Zn4 -","- Cu20 O72 Te12 Zn16 -","4","1","","Mueller-Buschbaum, H; Wulff, L","Zur Kristallchemie der Kupfer(II)-Zink-Tellurate Cu5 Zn4 Te3 O18 und Cu1.5 Zn1.5 Te O6, mit einer Notiz ueber Cu1.5 Co1.5 Te O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","53","57","","","","","","","0.0795","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002238","14.209","","2.971","","9.981","","90","","133.5","","90","","305.6","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Barium titanium oxide (1/8/16)","","- Ba O16 Ti8 -","- Ba O16 Ti8 -","- Ba O16 Ti8 -","1","0.25","","Schmachtel, J; Mueller-Buschbaum, H","Oxotitanate mit gemischter Valenz, III Zur Kenntnis von Ba Ti8 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","332","334","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002322","9.256","","3.508","","6.626","","90","","111.55","","90","","200.1","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Cobalt divanadium oxide","","- Co O6 V2 -","- Co O6 V2 -","- Co2 O12 V4 -","2","0.5","","Jasper-Toennies, B; Mueller-Buschbaum, Hk","Synthese und Strukturuntersuchung von Co V2 O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","508","","7","11","10.1002/zaac.19845080102","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002561","9.0743","0.0064","9.2527","0.0067","6.484","0.0062","90","","91.448","0.048","90","","544.2","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Calcium copper platinum(IV) oxide (3.5/0.5/1/6)","","- Ca3.5 Cu0.5 O6 Pt -","- Ca3.5 Cu0.5 O6 Pt -","- Ca14 Cu2 O24 Pt4 -","4","1","","Tomaszewska, A; Mueller-Buschbaum, Hk","Ein neues Erdakalimetall-Oxoplatinate-Cuprate Ca3.5 Cu0.5 Pt O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","23","26","10.1002/zaac.19926170104","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002905","15.783","0.002","5.458","0.001","9.586","0.001","90","","104.97","0.01","90","","797.7","0.2","173","1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Kopf, Jürgen; Schulz, Stefan","(1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","84","86","10.1107/s010827019400819x","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003099","26.9873","0.0006","4.7471","0.0001","9.9652","0.0002","90","","94.546","0.001","90","","1272.64","0.05","170","2","170","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Isoleucine:D-aminobutyric acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C40 H88 N8 O16 -","4","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0428","0.0385","","0.1043","0.0995","","","","1.085","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003100","29.0557","0.0007","4.7551","0.0001","9.9398","0.0002","90","","101.358","0.001","90","","1346.42","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Isoleucine:D-Norvaline","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C44 H96 N8 O16 -","4","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0364","0.0349","","0.0971","0.0946","","","","1.093","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003102","31.7681","0.0003","4.717","0.0001","10.0043","0.0001","90","","105.914","0.001","90","","1441.69","0.04","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Isoleucine:D-Methionine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C44 H96 N8 O16 S4 -","4","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0606","0.0419","","0.1028","0.0931","","","","1.075","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003273","27.85","0.007","5.217","0.003","13.463","0.004","90","","80.57","0.02","90","","1929.7","1.3","295","","","","","","","","","","synthetic","4","C 1 2 1","C 2y","5","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","KA1090","Weber, H. P.; Scholz, D.; Schmidt, H.; Gstach, H.","(2<i>S</i>,3<i>R</i>,4<i>S</i>)-4-(1,1-Dimethylethoxycarbonylamino)-2,3-epoxy-5-phenylpentanoic Acid Ethyl Ester","Acta Crystallographica Section C","1995","51","3","477","479","10.1107/S0108270194010656","","","1.54184","CuKα","","","0.098","","","0.109","","","","","0.538","0.538","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003610","14.648","0.002","9.8802","0.0005","10.9","0.001","90","","134.984","0.003","90","","1115.8","0.2","300","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H27 Cl2 N Sn -","- C22 H27 Cl2 N Sn -","- C44 H54 Cl4 N2 Sn2 -","2","0.5","TA1012","Ng, S. W.","Tetramethylammonium Dichlorotriphenylstannate","Acta Crystallographica Section C","1995","51","6","1124","1125","10.1107/S0108270194014678","","","0.71073","MoKα","","","0.02","","","0.025","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003662","25.166","0.001","8.588","0.001","18.382","0.001","90","","136.53","0.04","90","","2733","2","296","1","","","","","","","","","recrystallization from methanol","3","C 1 2 1","C 2y","5","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","2","HA1136","Baradarani, M. M.; Beddoes, R. L.; Mills, O. S.; Joule, J. A.","A Naphthalene-Fused Tricyclic Orthoamide","Acta Crystallographica Section C","1995","51","7","1345","1347","10.1107/S010827019401471X","","","0.71073","MoKα","","","0.032","","","0.041","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003857","20.019","0.004","6.878","0.001","8.923","0.002","90","","112.87","0.03","90","","1132","0.5","293","2","293","2","","","","","","","Methylation of uridine.","4","C 1 2 1","C 2y","5","3-methyluridine","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","0.71073","MoKα","","0.0442","0.0345","","0.1254","0.1029","","","","1.141","0.946","0.946","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003951","15.885","0.002","5.6895","0.0004","14.889","0.002","90","","93.359","0.009","90","","1343.3","0.3","299","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 O11 S2 -","- C24 H28 O11 S2 -","- C48 H56 O22 S4 -","2","0.5","SZ1011","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Younathan, E. S.","3,4-Di-<i>O</i>-acetyl-2,5-anhydro-1,6-di-<i>O</i>-(<i>p</i>-tolylsulfonyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1995","51","9","1921","1923","10.1107/S0108270195003519","","","1.54184","CuKα","","","0.03","","","0.041","","","","","2.295","2.295","","","","","has coordinates","198471","2020-10-21","18:00:00",""
"2004161","17.755","0.002","5.29","0.005","17.383","0.003","90","","121.48","0.01","90","","1392.4","1.4","298","2","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cd N4 O10 S2 -","- C24 H30 Cd N4 O10 S2 -","- C48 H60 Cd2 N8 O20 S4 -","2","0.5","MU1179","Lusvardi, G.; Menabue, L.; Saladini, M.","Cadmium(II) <i>N</i>-(<i>p</i>-Tolylsulfonyl)glutaminate","Acta Crystallographica Section C","1995","51","11","2287","2289","10.1107/S0108270195005385","","","0.71069","MoKα","","","0.041","","","0.038","","","","","0.56","0.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004204","18.248","0.001","4.442","0.003","15.913","0.002","90","","98.366","0.006","90","","1276.1","0.9","296","","","","","","","","","","","5","C 1 2 1","","","","","","- C4 H4 I N3 O -","- C4 H4 I N3 O -","- C32 H32 I8 N24 O8 -","8","2","AS1199","Okabe, N.; Tamaki, K.; Suga, T.","5-Iodocytosine","Acta Crystallographica Section C","1995","51","12","2696","2698","10.1107/S0108270195008845","","","0.71069","MoKα","","","0.04","","","0.045","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004452","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1017","Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2","Acta Crystallographica Section C","1996","52","1","92","94","10.1107/S0108270195007037","","","1.5418","CuKα","","","0.049","","","0.058","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004518","36.71","0.04","5.754","0.007","11.22","0.02","90","","99.85","0.07","90","","2335","6","150","1","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H21 F3 O9 S -","- C22 H21 F3 O9 S -","- C88 H84 F12 O36 S4 -","4","1","LI1139","Barnes, J. C.; Brimacombe, J. S.; Kabir, A. K. M. S.","Methyl 3-<i>O</i>-Benzoyl-4,6-<i>O</i>-benzylidene-2-<i>O</i>-trifluoromethylsulfonyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","1996","52","2","416","418","10.1107/S0108270195012339","","","0.71073","MoKα","","0.1675","0.053","","0.168","0.0875","","","","0.61","0.912","0.912","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004820","12.4263","0.0007","7.6563","0.0009","11.094","0.001","90","","102.073","0.006","90","","1032.13","0.17","293","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H32 Ca O19 -","- C12 H32 Ca O19 -","- C24 H64 Ca2 O38 -","2","0.5","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0264","","","0.0425","","","","","1.765","1.765","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004919","19.238","0.005","24.477","0.003","15.79","0.02","90","","109.52","0.02","90","","7008","9","123","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","β-Cyclodextrin-Z-9-dodecenol complex","cyclomaltoheptaose-Z-9-dodecen-1-ol complex","","- C49 H104 O46 -","- C48.81 H52.43 O45.37 -","- C195.24 H209.72 O181.48 -","4","1","PA1191","Mentzafos, D.; Mavridis, I. M.; Hursthouse, M. B.","β-Cyclodextrin (<i>Z</i>)-9-Dodecen-1-ol 2:1 Complex","Acta Crystallographica Section C","1996","52","5","1220","1223","10.1107/S0108270195014703","","","0.071069","MoKα","","0.0901","0.0679","","0.2204","0.1842","","","","0.596","0.732","0.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005040","14.664","0.013","7.697","0.008","5.08","0.005","90","","96.71","0.01","90","","569.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H9 Cl2 Cu N3 -","- C10 H9 Cl2 Cu N3 -","- C20 H18 Cl4 Cu2 N6 -","2","0.5","NA1211","Spodine, E.; Atria, A. M.; Baggio, R.; Garland, M. T.","Dichloro(di-2-pyridylamine-<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","1996","52","6","1407","1410","10.1107/S0108270196000601","","","0.71073","MoKα","","0.0387","0.0377","","0.0886","0.0877","","","","1.148","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005064","22.201","0.005","13.667","0.003","22.087","0.004","90","","90.43","0.02","90","","6701","2","296","","296","","","","","","","","","7","C 1 2 1","C 2y","5","","bis[tris(2,2'-bipyridine)ruthenium(II)] hexacyanocobaltate(III) chloride octahydrate","","- C66 H64 Cl Co N18 O8 Ru2 -","- C66 H64 Cl Co N18 O8 Ru2 -","- C264 H256 Cl4 Co4 N72 O32 Ru8 -","4","1","TA1068","Tamura, H.; Ikeda, N.; Iguro, T.; Ohno, T.; Matsubayashi, G.-E.","The Pseudo-Racemic Complex Bis[tris(2,2'-bipyridine)ruthenium(II)] Hexacyanocobaltate(III) Chloride Octahydrate, [Ru(bpy)~3~]~2~[Co(CN)~6~]Cl.8H~2~O","Acta Crystallographica Section C","1996","52","6","1394","1399","10.1107/S0108270196000042","","","0.7107","MoKα","","","0.035","","","0.06","","","","","1.56","1.56","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2005113","20.337","0.003","5.8139","0.0006","13.362","0.002","90","","105.97","0.02","90","","1518.9","0.4","295","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","5'-O-Benzoyl-3'-deoxy-2'-keto-alpha-uridine","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","DE1026","Suresh, C. G.; Sakthivel, K.; Pathak, T.","5'-<i>O</i>-Benzoyl-2',3'-dideoxy-2'-oxo-α-uridine","Acta Crystallographica Section C","1996","52","7","1776","1779","10.1107/S0108270195017082","","","0.71069","MoKα","","0.0823","0.0365","","0.1057","0.0794","","","","0.714","0.776","0.776","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005466","25.483","0.004","8.0133","0.0019","15.339","0.004","90","","121.581","0.014","90","","2668.4","1.1","297","","297","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H48 O6 -","- C28 H42 O6 -","- C112 H168 O24 -","4","1","BK1233","Wahle, M. C.; Byrn, S. R.","3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid Methyl Ester Ethanolate (Methyl Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","10","2500","2502","10.1107/S0108270196005161","","","1.54184","Cu-Kα","","0.088","0.062","","0.19","0.19","","","","1.101","1.101","1.101","","","","","has coordinates","198472","2020-10-21","18:00:00",""
"2005673","19.368","0.008","24.45","0.01","15.94","0.01","90","","108.72","0.04","90","","7149","6","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H104 O46 -","- C51 H49 O45.32 -","- C204 H196 O181.28 -","4","1","PA1216","Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G.","Inclusion of the Main Pheromone Component of <i>Dacus oleae</i>, 1,7-Dioxaspiro[5,5]undecane, in β-Cyclodextrin","Acta Crystallographica Section C","1996","52","11","2932","2936","10.1107/S0108270196005677","","","1.54184","CuKα","","","0.086","","","0.086","","","","","4.04","4.04","","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2005748","25.348","0.003","7.8824","0.0007","11.928","0.001","90","","96.8","0.02","90","","2366.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","C24 H29 O9 Cl","18-chloro,4α-hydroxy derivative of 19-acetylteupolin IV","","- C24 H29 Cl O9 -","- C24 H29 Cl O9 -","- C96 H116 Cl4 O36 -","4","1","CF1084","","An 18-Chloro-4α-hydroxy Derivative of 19-Acetylteupolin IV: a Neo-clerodane Diterpenoid of Biological Interest","Acta Crystallographica C","1996","52","","3157","3159","10.1107/S0108270196009110","","","1.5418","CuKα","","0.0554","0.0522","","0.1322","0.1288","","","","1.016","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005816","15.746","0.002","9.373","0.001","11.304","0.002","90","","100.19","0.01","90","","1642","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","none","2'-oxapropyl-3'-nitro-thymidine","","- C13 H19 N3 O7 -","- C13 H19 N3 O7 -","- C52 H76 N12 O28 -","4","1","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0657","0.064","","0.1748","0.1725","","","","1.192","1.194","1.194","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006083","32.156","0.013","7.114","0.002","12.118","0.006","90","","101.47","0.06","90","","2717","2","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","(3R),(2'S)-2'-N-Dibenzylamino-1,2:5,6-diisopropylidène-α-D-allofuranos-3- spiro-β-propiolactone","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C112 H132 N4 O28 -","4","1","PA1245","Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P.","(3<i>R</i>,2'<i>S</i>)-2'-<i>N</i>-Dibenzylamino-1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranose-3-spiro-3'-β-propiolactone","Acta Crystallographica Section C","1997","53","4","457","459","10.1107/S0108270196014461","","","1.5418","CuKα","","","0.054","","","0.072","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006092","21.329","0.005","9.268","0.005","8.262","0.005","90","0.005","106.16","0.005","90","0.005","1568.7","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1S,2R,3S,4R)-3-Benzamido-3-methoxycarbonylbicyclo[2.2.1]heptane-2- carboxylic acid.","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","BM1118","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","A Conformationally Restricted Aspartic Acid Analogue with a Norbornane Skeleton. II","Acta Crystallographica Section C","1997","53","5","626","628","10.1107/S0108270196015727","","","0.71073","MoKα","","0.0862","0.0688","","0.2488","0.1894","","","","1.117","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006093","9.8797","0.0007","12.2119","0.0008","7.6464","0.0006","90","","104.394","0.006","90","","893.58","0.11","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Trisodium trimetaphosphimate monohydrate","Trisodium-tri-μ-imido-cyclotriphosphate monohydrate","","- H5 N3 Na3 O7 P3 -","- H5 N3 Na3 O7 P3 -","- H20 N12 Na12 O28 P12 -","4","1","BM1119","Stock, Norbert; Schnick, Wolfgang","Trisodium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1997","53","5","532","534","10.1107/S010827019601520X","","","0.71073","MoKα","","0.0435","0.0311","","0.0663","0.0619","","","","1.031","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006101","18.357","0.003","5.7887","0.0004","17.728","0.003","90","","119.52","0.02","90","","1639.3","0.5","300","2","300","2","","","","","","","","5","C 1 2 1","C 2y","5","","bis(N-propionamido-α-alaninato)copper(II) hydrate","","- C12 H24 Cu N4 O7 -","- C12 H24 Cu N4 O7 -","- C48 H96 Cu4 N16 O28 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","0.71073","MoKα","","0.0395","0.0338","","0.0776","0.073","","","","1.113","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006254","16.698","0.002","7.0361","0.0005","9.7093","0.0013","90","","108.754","0.011","90","","1080.2","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","His-Gly hydrochloride","L-Histidyl-glycinium Chloride","","- C8 H13 Cl N4 O3 -","- C8 H13 Cl N4 O3 -","- C32 H52 Cl4 N16 O12 -","4","1","SX1019","Steiner, Thomas","<small>L</small>-Histidylglycinium Chloride, C~8~H~13~N~4~O~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","6","730","732","10.1107/S0108270197000590","","","1.54176","CuKα","","0.0333","0.0318","","0.0864","0.0854","","","","1.072","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006313","21.574","0.001","4.5576","0.0009","17.039","0.002","90","","104.238","0.005","90","","1623.9","0.4","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 2-aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)-β-D-erythro- hexopyranosid-3-ulose.","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C56 H76 N12 O28 -","4","1","HA1186","Bernardinelli, Gérald; Tronchet, Jeannine F.; Tronchet, Jean M.J.","Methyl 2-Aza-2-deoxy-4,6-di-<i>O</i>-methyl-2-<i>N</i>-(<i>p</i>-nitrophenylamino)-β-<small>D</small>-<i>erythro</i>-hexopyranosid-3-ulose","Acta Crystallographica Section C","1997","53","7","950","951","10.1107/S0108270197002345","","","1.5418","CuKα","","0.12","0.076","","0.083","0.074","","","","2.172","2.342","2.342","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006385","24.967","0.003","6.075","0.002","13.232","0.002","90","","113.134","0.011","90","","1845.6","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-labda-8(17),13E-dien-15-oic","","- C20 H32 O2 -","- C20 H31.5 O2 -","- C80 H126 O8 -","4","1","FR1024","Reinaldo Atencio; Ricardo Gaitán; Sara Pekerar; José D. Medina","(13<i>E</i>)-({-})-Labda-8(17),13-dien-15-oic Acid","Acta Crystallographica Section C","1997","53","8","1068","1070","10.1107/S0108270197003016","","","0.71069","MoKα","","0.0742","0.044","","0.163","0.1194","","","","1.108","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006430","15.7566","0.0009","15.9146","0.0009","9.5363","0.0007","90","","106.854","0.005","90","","2288.6","0.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Carbazole-barium-pentakis(THF)-THF","","","- C48 H64 Ba N2 O6 -","- C48 H64 Ba N2 O6 -","- C96 H128 Ba2 N4 O12 -","2","0.5","SK1064","Näther, Christian; Hauck, Tim; Bock, Hans","Pentakis(tetrahydrofuran)barium Bis(carbazolate) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1997","53","8","1061","1063","10.1107/S0108270197003363","","","0.71073","MoKα","","0.0233","0.0233","","0.0564","0.0564","","","","1.148","1.147","1.147","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006617","22.874","0.006","5.101","0.001","18.261","0.004","90","","122.87","0.01","90","","1789.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S,S)-2-methyl-4-phenyl-N-[(methoxycarbonyl)phenylmethyl]butanamide","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","QB0020","Yoshinobu Inouye; Tetsuya Yabuuti; Takenori Kusumi","Conformation of (<i>S</i>,<i>S</i>)-Methyl (2-Methyl-4-phenylbutanamido)(phenyl)acetate","Acta Crystallographica Section C","1997","53","10","IUC9700017","","10.1107/S0108270197099393","","","0.71073","MoKα","","0.0981","0.0466","","0.133","0.1107","","","","1.043","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006842","20.431","0.004","6.192","0.001","5.136","0.001","90","0.01","95.79","0.02","90","0.01","646.4","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-Proline Monohydrate","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","KA1239","Janczak, Jan; Luger, Peter","<small>L</small>-Proline Monohydrate at 100 K","Acta Crystallographica Section C","1997","53","12","1954","1956","10.1107/S0108270197011487","","","1.54179","CuKα","","0.033","0.033","","0.084","0.084","","","","1.207","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006982","10.301","0.003","4.8869","0.0012","11.51","0.002","90","","91.102","0.019","90","","579.3","0.2","122","2","122","2","","","","","","","","4","C 1 2 1","C 2y","5","Cyclothreonine","(4S,5R)-4-Amino-5-methyl-3-isoxazolidinone","","- C4 H9 N2 O2.5 -","- C4 H9 N2 O2.5 -","- C16 H36 N8 O10 -","4","1","AB1493","Anthoni, Uffe; Fatum, Tine Muxoll; Flensburg, Claus","Cyclothreonine at 122K","Acta Crystallographica Section C","1998","54","2","240","242","10.1107/S0108270197013887","","","1.54184","CuKα","","0.0254","0.0253","","0.0664","0.0663","","","","1.084","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007004","31.919","0.005","9.399","0.002","11.26","0.003","90","","93.83","0.01","90","","3370.5","1.3","293","1","293","1","","","","","","","","4","C 1 2 1","C 2y","5","chasmaconitine","","","- C34.5 H49 N O9.5 -","- C34.5 H47 N O9.5 -","- C138 H188 N4 O38 -","4","1","FG1327","Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, Mohammad I.","Chasmaconitine 0.5-Methanol Solvate","Acta Crystallographica Section C","1998","54","2","236","238","10.1107/S0108270197013450","","","1.54178","CuKα","","0.0692","0.0582","","0.1713","0.1574","","","","1.047","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007076","12.433","0.002","6.629","0.001","24.559","0.004","90","","93.38","0.01","90","","2020.6","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","22,23-Bisnor-5α-cholanic acid-3-one","(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid","","- C22 H34 O3 -","- C22 H34 O3 -","- C88 H136 O12 -","4","1","FG1381","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate","Acta Crystallographica Section C","1998","54","3","421","424","10.1107/S0108270197016296","","","0.71073","MoKα","","0.188","0.073","","0.156","0.109","","","","1.05","1.22","1.22","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007077","12.696","0.003","6.168","0.002","26.784","0.007","90","","101.26","0.02","90","","2057.1","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","22,23-Bisnor-5α-cholanic acid-3-one Monohydrate","(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid Monohydrate","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","1","FG1381","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate","Acta Crystallographica Section C","1998","54","3","421","424","10.1107/S0108270197016296","","","0.71073","MoKα","","0.062","0.044","","0.131","0.106","","","","1.05","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007424","16.603","0.005","6.743","0.001","12.136","0.005","90","","130.77","0.02","90","","1029","0.6","291","2","291","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H18 N2 -","- C11 H18 N2 -","- C44 H72 N8 -","4","1","FG1368","Jordan, Richard F.; Black, David G.; Swenson, Dale C.","(5a<i>R</i>,9a<i>R</i>)-2,4-Dimethyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section C","1998","54","7","1030","1033","10.1107/S0108270198001279","","","0.7107","MoKα","","0.0577","0.0439","","0.1092","0.103","","","","1.041","1.082","1.082","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007775","22.3782","0.0001","11.4738","0.0001","13.8548","0.0002","90","","108.007","0.001","90","","3383.15","0.06","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","(1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(diphenylphosphino)phenyl]methylene]-α-D-glucopyranoside]]- chromium(0) dichloromethane solvate","","- C32 H33 Cl2 Cr O9 P -","- C32 H33 Cl2 Cr O9 P -","- C128 H132 Cl8 Cr4 O36 P4 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.035","0.03","","","0.077","0.08","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007848","21.198","0.008","6.3283","0.0009","35.442","0.009","90","","104.44","0.02","90","","4604","2","122","0.5","122","2","","","","","","","","4","C 1 2 1","C 2y","5","","Quininium (S,S)-hydrogen tartrate hemihydrate","","- C48 H62 N4 O17 -","- C48 H62 N4 O17 -","- C192 H248 N16 O68 -","4","1","OS1012","Ryttersgaard, Carsten; Larsen, Sine","Quininium Hydrogen (<i>S</i>,<i>S</i>)-Tartrate Hemihydrate, a Salt with a Unique Conformation of the Hydrogen Tartrate Ion","Acta Crystallographica Section C","1998","54","11","1698","1701","10.1107/S0108270198004399","","","1.5418","CuKα","","0.039","0.0366","","","","0.0976","","","","","","1.036","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007890","14.349","0.003","12.298","0.003","15.173","0.003","90","","105.27","0.03","90","","2583","1","220","2","220","2","","","","","","","","4","C 1 2 1","C 2y","5","","Brucinium Fumarate","","- C27 H33 N2 O9.5 -","- C27 H33 N2 O9.5 -","- C108 H132 N8 O38 -","4","1","BM1243","Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon; Walkinshaw, Malcolm D.","Brucinium Hydrogen Fumarate Sesquihydrate and Brucinium Hydrogen Maleate","Acta Crystallographica Section C","1998","54","12","1948","1951","10.1107/S0108270198010324","","","1.54184","CuKα","","0.046","0.038","","","","0.096","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007915","16.734","0.005","7.83","0.004","12.028","0.005","90","","119.12","0.03","90","","1376.8","1.1","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","6-Propylcytidine","1-(β-D-ribofuranosyl)-6-Propylcytosine","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C48 H76 N12 O20 -","4","1","FG1416","Birnbaum, Karin Bjåmer; Shugar, David; Felczak, Krzysztof","1-(β-<small>D</small>-Ribofuranosyl)-6-propylcytosine","Acta Crystallographica Section C","1998","54","12","1959","1961","10.1107/S0108270198008683","","","0.71073","MolybdenumKα","","0.034","0.029","","0.037","0.036","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008071","32.802","0.003","9.267","0.002","11.756","0.002","90","","108.93","0.01","90","","3380.3","1","293","1","293","1","","","","","","","","4","C 1 2 1","C 2y","5","indaconitine","","","- C35 H48.5 N1.5 O10 -","- C35 H48.5 N1.5 O10 -","- C140 H194 N6 O40 -","4","1","FG1503","Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, M. Iqbal","Indaconitine 0.5-acetonitrile solvate","Acta Crystallographica Section C","1999","55","1","70","72","10.1107/S0108270198010130","","","1.54178","CuKα","","0.074","0.067","","0.188","0.179","","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008117","13.7343","0.0002","6.1274","0.0002","25.2459","0.0007","90","","92.277","0.001","90","","2122.91","0.1","203","2","203","2","","","","","","","","3","C 1 2 1","C 2y","5","Scalarolide","12β-hydroxyscalar-17-en-20,19-olide","","- C25 H38 O3 -","- C25 H38 O3 -","- C100 H152 O12 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.1057","0.085","","","0.226","0.2453","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008233","30.968","0.002","6.003","0.002","11.394","0.002","90","","107.26","0.01","90","","2022.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Z-Proψ[CO-N(NH2)]-Ala-NH^i^Pr","","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C76 H112 N16 O16 -","4","1","CF1278","Aubry, Andre; Del Duca, Valerio; Pedone, Carlo; Zerkout, Said; Marraud, Michel","Dipeptide (<i>Z</i>)-Pro-ψ[CO-N(NH~2~)]-Ala-NH^<i>i^</i>Pr","Acta Crystallographica Section C","1999","55","3","439","441","10.1107/S0108270198013675","","","1.5418","CuKα","","0.0925","0.0543","","0.1588","0.1163","","","","0.971","1.078","1.078","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008485","22.07","0.02","4.419","0.006","22.29","0.03","90","","127.18","0.08","90","","1732","4","293","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(+)-(2R-cis)-10-Bromo-2,3,3a,8-tetrahydro- N,N-dimethyl-dibenz[c,f]isoxazolo[2,3-a]azepine-2-methanamine","","- C19 H21 Br N2 O -","- C19 H21 Br N2 O -","- C76 H84 Br4 N8 O4 -","4","1","NA1399","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter; Hans L. De Winter","(+)-(2<i>R</i>-<i>cis</i>)-Dimethyl(10-bromo-2,3,3a,8-tetrahydrodibenz[<i>c</i>,<i>f</i>]isoxazolo[2,3-<i>a</i>]azepin-2-ylmethyl)amine","Acta Crystallographica Section C","1999","55","5","794","796","10.1107/S0108270199000219","","","0.71073","MoKα","","0.0633","0.0365","","0.0908","","0.0908","","","1.056","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008706","29.5751","0.0004","4.7386","0.0001","9.9402","0.0001","90","","102.711","0.0008","90","","1358.92","0.04","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Valine:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C44 H96 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0496","0.038","","0.1057","0.0951","","","","1.052","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008707","31.4433","0.0004","4.7622","0.0001","9.9363","0.0002","90","","100.838","0.0004","90","","1461.32","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-alloIsoleucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C48 H104 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0485","0.0394","","0.1052","0.098","","","","1.075","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008714","13.2435","0.0019","5.1116","0.0008","15.52","0.003","90","","102.2","0.013","90","","1026.9","0.3","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(2-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","QA0135","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(2-fluorophenyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900069","","10.1107/S0108270199099217","","","0.71073","MoKα","","0.034","0.032","","","","0.09","","","","","","1.194","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008851","29.277","0.002","8.9805","0.0008","9.8486","0.0006","90","","106.248","0.0001","90","","2486","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6α,7β-dihydroxy-N-cyclohexyl-vouacapan-17β-amide","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C104 H156 N4 O16 -","4","1","SX1054","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Maltha, Celia Regina A.; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","<i>N</i>-Cyclohexyl-6α,7β-dihydroxyvouacapan-17β-carboxamide","Acta Crystallographica Section C","1999","55","8","1297","1299","10.1107/S0108270198017466","","","0.71073","MoKα","","0.074","0.047","","0.133","0.107","","","","1.145","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008876","10.305","0.002","18.047","0.003","50.764","0.002","90","","92.463","0.009","90","","9432","2","298.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H35.4 B Co F4 N4 O3.7 -","- C30 H32 B Co F3.91667 N4 O3.48333 -","- C360 H384 B12 Co12 F47 N48 O41.8 -","12","3","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","0.7107","MoKα","","","0.0561","","","","0.0686","","","","","","2.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008947","27.2288","0.0002","4.7397","0.0001","9.9535","0.0001","90","","96.091","0.001","90","","1277.31","0.03","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-valine:D-2-aminopentanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C40 H88 N8 O16 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.04","0.034","","0.102","","0.097","","","1.095","","","1.11","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009249","13.513","0.002","6.288","0.0009","32.903","0.003","90","","98.22","0.03","90","","2767","0.7","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","D-Friedoolean-14-en-3β-ol acetate","","- C32 H52 O2 -","- C32 H52 O2 -","- C128 H208 O8 -","4","1","DA1098","Billodeaux, Damon R.; Benavides, Gloria A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Taraxerol acetate at 100K","Acta Crystallographica Section C","1999","55","12","2129","2131","10.1107/S0108270199011403","","","0.71073","MoKα","","0.141","0.063","","","","0.249","","","","","","0.813","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009288","29.143","0.004","7.456","0.002","14.855","0.002","90","","116.33","0.02","90","","2893","1.1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olide","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","JZ1358","Gzella, Andrzej","Triterpenoide. XVII. 3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olid","Acta Crystallographica Section C","1999","55","12","2151","2153","10.1107/S0108270199009178","","","1.54178","CuKα","","0.04","0.033","","","","0.095","","","","","","1.038","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009324","33.1828","0.0016","6.3349","0.0007","5.5592","0.0008","90","","92.406","0.007","90","","1167.6","0.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Alanyl-L-leucine hemihydrate","","- C9 H19 N2 O3.5 -","- C9 H19 N2 O3.5 -","- C36 H76 N8 O14 -","4","1","QB0134","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-leucine hemihydrate","Acta Crystallographica Section C","1999","55","12","IUC9900149","","10.1107/S0108270199098327","","","0.71073","MoKα","","0.0798","0.0752","","","","0.1978","","","","","","1.156","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009519","15.773","0.009","12.402","0.015","12.989","0.006","90","","102.72","0.06","90","","2479","4","293","","","","","","","","","","","5","C 1 2 1","C 2y","","","","","- C36 H55 N8 O8 S2 -","- C37 H52 N8 O11 S2 -","- C74 H104 N16 O22 S4 -","2","0.5","AS1063","In, Y.; Doi, M.; Inoue, M.; Ishida, T.; Hamada, Y.; Shioiri, T.","Patellamide A, a cytotoxic cyclic peptide from the ascidian <i>Lissoclinum patella</i>","Acta Crystallographica Section C","1994","50","3","432","434","10.1107/S010827019300811X","","","1.5418","CuKα","","","0.064","","","0.088","","","","","0.7885","0.7885","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009607","37.462","0.002","6.2017","0.0003","8.1843","0.0004","90","","98.891","0.004","90","","1878.6","0.16","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","cyclo-glycyl-L-phenylglycine","","- C10 H10.5 N2 O2.25 -","- C10 H10.5 N2 O2.25 -","- C80 H84 N16 O18 -","8","2","CR1093","Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W.","Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2)","Acta Crystallographica Section C","1994","50","4","565","569","10.1107/S0108270193010467","","","1.54178","CuKα","","0.0467","0.0444","","0.1546","0.1287","","","","1.066","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009674","18.15","0.009","4.849","0.002","17.418","0.009","90","","110.58","0.07","90","","1435.1","1.4","120","0.5","120","1","","","","","","","","4","C 1 2 1","C 2y","5","","pentaaqua-(2-furancarboxylato)nickel(II) 2-furancarboxylate","","- C10 H16 Ni O11 -","- C10 H16 Ni O11 -","- C40 H64 Ni4 O44 -","4","1","AL1070","Paluchowska, Beata; Lis, Tadeusz; Leciejewicz, Janusz","Pentaaqua(2-furancarboxylato)nickel(II) 2-furancarboxylate at 120 K","Acta Crystallographica Section C","1994","50","5","683","686","10.1107/S010827019301114X","","","0.7093","MoKα","","","0.0327","","","0.0328","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009995","30.314","0.004","7.372","0.001","23.336","0.004","90","","126.31","0.01","90","","4202.4","1.2","293","","","","","","","","","","","6","C 1 2 1","C 2y","","","","","- C42 H44 Cl2 N2 O8 S2 -","- C42 H44 Cl2 N2 O8 S2 -","- C168 H176 Cl8 N8 O32 S8 -","4","1","SH1080","Hirschler, J.; Berger, B.; Bolte, M.","A dimeric (phenylsulfonyl)oxazolidine","Acta Crystallographica Section C","1994","50","8","1279","1281","10.1107/S0108270194000120","","","1.5418","CuKα","","","0.038","","","0.048","","","","","1.86","1.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010126","12.47","0.001","5.659","0.0006","17.7","0.002","90","","91.43","0.09","90","","1248.7","0.2","287","1","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C10 H13 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","ST1088","Li, J.; Kumar, S.V.P.; Stuart, A.L.; Tourigny, G.; Delbaere, L.T.J.; Gupta, S.V.","3'-Azido-2',3'-dideoxy-5-hydroxymethyluridine","Acta Crystallographica Section C","1994","50","10","1626","1629","10.1107/S0108270194001460","","","1.5418","CuKα","","","0.044","","","0.06","","","","","4.285","4.285","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010153","20.093","0.004","4.897","0.002","13.808","0.002","90","","124.06","0.01","90","","1125.6","0.6","296","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C46 H56 N4 O10 -","2","0.5","BR1060","Ala, P.; Asante-Appiah, E.; Chan, W. W.; Yang, D. S. C.","<i>N</i>,<i>N</i>'-Carbonylbis(<small>L</small>-phenylalanine ethyl ester)","Acta Crystallographica Section C","1994","50","11","1830","1832","10.1107/S0108270194000028","","","1.54178","CuKα","","","0.039","","","0.049","","","","","1.68","1.68","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010239","14.36","0.002","13.369","0.002","12.905","0.002","90","","99.95","0.01","90","","2440.2","0.6","293","","","","","","","","","","","5","C 1 2 1","C 2y","","","","","- C38 H60 N8 O8 S2 -","- C28.455 H52 N8 O8 S2 -","- C56.91 H104 N16 O16 S4 -","2","0.5","AS1088","In, Y.; Doi, M.; Inoue, M.; Ishida, T.","Structure of ascidiacyclamide as the ethanol water solvate, a cytotoxic cyclic peptide from <i>Ascidian</i>","Acta Crystallographica Section C","1994","50","12","2015","2017","10.1107/S0108270194000685","","","1.5418","CuKα","","","0.055","","","0.08","","","","","1.285","1.285","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2010634","29.356","0.006","5.3068","0.0007","7.353","0.0011","90","","93.215","0.01","90","","1143.7","0.3","154","2","154","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose hemihydrate","","- C11 H14 F O4.5 -","- C11 H14 F O4.5 -","- C44 H56 F4 O18 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.036","0.034","","","","0.1","","","","","","1.486","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010635","14.684","0.002","4.6609","0.0006","15.772","0.002","90","","99.476","0.011","90","","1064.7","0.2","134","2","134","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(2,4-difluorophenyl)-β-D-ribofuranose","","- C11 H12 F2 O4 -","- C11 H12 F2 O4 -","- C44 H48 F8 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.052","0.046","","","","0.122","","","","","","1.4","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010823","15.247","0.001","8.792","0.001","16.165","0.001","90","","116.6","0.01","90","","1937.6","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","NNN(sss)","1,3,5-Trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trithione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C48 H72 N24 S24 -","8","2","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0595","0.0558","","","","0.1492","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010855","11.728","0.004","5.105","0.003","14.547","0.002","90","","99.83","0.02","90","","858.2","0.6","299","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 O6 Zn -","- C18 H18 O6 Zn -","- C36 H36 O12 Zn2 -","2","0.5","QA0239","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","<i>cis</i>-Diaquabis(<i>trans</i>-cinnamato-<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","2000","56","4","e123","e123","10.1107/S0108270100003358","","","0.71073","MoKα","","","0.034","","","","0.088","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010898","17.472","0.004","4.9237","0.001","9.956","0.002","90","","94.08","0.03","90","","854.3","0.3","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","1,3(R):4,6(R)-di-O-benzylidene-D-mannitol","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","DA1113","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","1,3(<i>R</i>):4,6(<i>R</i>)-Di-<i>O</i>-benzylidene-<small>D</small>-mannitol","Acta Crystallographica Section C","2000","56","5","582","583","10.1107/S0108270100001591","","","1.54184","CuKα","","0.034","0.033","","","","0.093","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010976","15.125","0.0004","5.6702","0.0001","22.8781","0.0005","90","","95.3753","0.0013","90","","1953.44","0.08","291","2","291","2","","","","","","","","3","C 1 2 1","C 2y","5","asperuloside monohydrate","[2aS-(2aα,4aα,5α,7bα)]-5-(β-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b- tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-ylmethyl acetate monohydrate","","- C18 H24 O12 -","- C18 H24 O12 -","- C72 H96 O48 -","4","1","SK1376","Linden, Anthony; Çalis, Ihsan; Neuburger, Markus; Sticher, Otto","Asperuloside monohydrate","Acta Crystallographica Section C","2000","56","5","616","618","10.1107/S0108270100003292","","","0.71073","MoKα","","0.061","0.041","","","","0.101","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011022","23.343","0.009","4.7027","0.0009","14.935","0.006","90","","104.36","0.05","90","","1588.3","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 4-O-β-L-fucopyranosyl α-D-glucopyranoside hemihydrate","","- C13 H25 O10.5 -","- C13 H25 O10.5 -","- C52 H100 O42 -","4","1","OS1102","Eriksson, Lars; Stenutz, Roland; Widmalm, Göran","Methyl 4-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside hemihydrate","Acta Crystallographica Section C","2000","56","6","702","704","10.1107/S0108270100003589","","","0.71073","MoKα","","0.051","0.035","","","","0.09","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011248","19.401","0.008","22.383","0.009","20.805","0.009","90","","107.89","0.04","90","","8598","6","193","2","193","2","","","","","","","","8","C 1 2 1","C 2y","5","","{2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis(6-tert-butyl-4- (triphenylphosphoniomethyl)phenolato-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate","","- C72 H68 Cl20 Cu D6 N2 O2 P2 -","- C72 H68 Cl20 Cu D6 N2 O2 P2 -","- C288 H272 Cl80 Cu4 D24 N8 O8 P8 -","4","1","QA0329","Pajunen, Aarne; Mutikainen, Ilpo; Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka","{2,2'-[(<i>R</i>,<i>R</i>)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis[6-<i>tert</i>-butyl-4-(triphenylphosphoniomethyl)phenolato]-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) dichloride hexakis(deuterochloroform) solvate","Acta Crystallographica Section C","2000","56","8","e321","e322","10.1107/S0108270100009203","","","0.71073","MoKα","","0.108","0.067","","","","0.188","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011398","10.45","0.003","6.623","0.003","14.828","0.004","90","","103.31","0.03","90","","998.7","0.6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","Chloramine-B","","","- C6 H8 Cl N Na O3.5 S -","- C6 H8 Cl N Na O3.5 S -","- C24 H32 Cl4 N4 Na4 O14 S4 -","4","1","BM1403","George, Elizabeth; Vivekanandan, Subramania; Sivakumar, Kandasamy","Chloramine-B sesquihydrate","Acta Crystallographica Section C","2000","56","10","1208","1209","10.1107/S0108270100007617","","","0.71073","MoKα","","0.038","0.0345","","","","0.0795","","","","","","1.146","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2011423","28.945","0.003","6.5473","0.0009","27.526","0.002","90","","117.622","0.007","90","","4621.9","0.9","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","DSI(Diaryl Sulfonyl Imidazolone)","[(S)-(+)-4-Phenyl-1-[1-(4-aminobenzoyl)indoline-5-sulfonyl]-4,5-dihydro- 2-imidazolone] 0.5-hydrochloride","","- C48 H45 Cl N8 O8 S2 -","- C48 H45 Cl N8 O8 S2 -","- C192 H180 Cl4 N32 O32 S8 -","4","1","GG1010","Park, Kyung-Lae; Moon, Byoung-Gi; Jung, Sang-Hun; Kim, Jin-Gyu; Suh, Il-Hwan","Multicentre hydrogen bonds in a 2:1 arylsulfonylimidazolone hydrochloride salt","Acta Crystallographica Section C","2000","56","10","1247","1250","10.1107/S0108270100009495","","","0.71069","MoKα","","0.082","0.048","","","","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011426","11.6811","0.0002","9.8679","0.0002","11.13","0.0002","90","","93.482","0.001","90","","1280.56","0.04","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H9 Br4 N Ti -","- C7 H9 Br4 N Ti -","- C28 H36 Br16 N4 Ti4 -","4","1","JZ1419","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Tetrabromo(2,6-dimethylpyridine-<i>N</i>)titanium(IV), a twinned crystal structure","Acta Crystallographica Section C","2000","56","10","1196","1197","10.1107/S0108270100009811","","","0.71073","MoKα","","0.04","0.034","","","","0.068","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011671","19.2711","0.001","9.769","0.003","10.2592","0.001","90","0.01","103.666","0.013","90","0.01","1876.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1,3-thiazole-5 -carboxylate","","- C15 H23 N3 O5 S -","- C15 H23 N3 O5 S -","- C60 H92 N12 O20 S4 -","4","1","VJ1112","Singh, Umesh Prasad; Thomas, Mini; Seshadri, T.P.; Bhattacharya, Santanu","Ethyl 2-[<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-<small>L</small>-alanylamino]-4-methyl-1,3-thiazole-5-carboxylate reveals a <i>trans</i> orientation of the preceding amide N—H with respect to the thiazole-ring sulfur","Acta Crystallographica Section C","2000","56","12","1482","1483","10.1107/S0108270100012439","","","1.5418","CuKα","","0.0405","0.0379","","","","0.1088","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011736","18.169","0.004","9.801","0.002","12.726","0.003","90","","126.96","0.03","90","","1810.8","1","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","(-)-Argemonine hemihydrate","(6S,12S)-2,3,8,9-tetramethoxy-13-methyl-13- azadibenzo[b,f]bicyclo[3.3.1]nona-2,6-diene hemihydrate","","- C21 H26 N O4.5 -","- C21 H26 N O4.5 -","- C84 H104 N4 O18 -","4","1","SX1108","Nečas, Marek; Dostál, Jiří; Slavík, Jiří","(‒)-Argemonine hemihydrate","Acta Crystallographica Section C","2001","57","1","66","67","10.1107/S010827010001252X","","","0.71073","MoKα","","0.028","0.028","","","","0.077","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011759","30.594","0.006","10.285","0.002","7.474","0.001","90","","91.07","0.03","90","","2351.4","0.7","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-[β-D-(tri-O-acetyl)xylopyranosyl)amino-7-carbomethoxy-6-methyl- 5-methyoxy-1H-pyrrolo[3,4-c]pyridin-1,3(2H)-dione","","- C22 H25 N3 O12 -","- C22 H25 N3 O12 -","- C88 H100 N12 O48 -","4","1","GD1119","Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Lο'pez, M. Dolores; Light, Mark E.","A unique axially triacetylated xylopyranose structure, methyl 6-methoxy-2-methyl-1,3-dioxo-4-[(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino]-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate","Acta Crystallographica Section C","2001","57","2","222","224","10.1107/S0108270100018163","","","0.71073","MoKα","","0.1426","0.0819","","","","0.226","","","","","","0.999","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011803","11.9752","0.0005","5.7487","0.0002","18.0759","0.0014","90","","100.295","0.006","90","","1224.34","0.12","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","1,6-anhydro-4-O-benzyl-β-D-mannopyranose","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.032","0.032","","0.04","","0.04","","","1.08","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011921","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Tricoccin R2","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1131","Abdul Ajees, A.; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2. Erratum","Acta Crystallographica Section C","2001","57","4","499","499","10.1107/S010827010002045X","","","1.5418","CuKα","","0.0401","0.0364","","","","0.1034","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011963","13.144","0.003","7.75","0.002","22.415","0.005","90","","100.87","0.01","90","","2242.4","0.9","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-3,6-Dioxo-5β-cholanic acid","","- C24 H37 O4.5 -","- C24 H36.5 O4.5 -","- C96 H146 O18 -","4","1","FR1302","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","({-})-3,6-Dioxo-5β-cholanic acid: hydrogen bonding in the hemihydrate of a steroidal diketo acid","Acta Crystallographica Section C","2001","57","5","632","633","10.1107/S0108270101002980","","","0.71073","MoKα","","0.113","0.05","","","","0.109","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011974","21.4179","0.0006","11.1466","0.0002","14.9649","0.0003","90","","133.428","0.0006","90","","2594.61","0.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","N-(2-amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L- isoleucine‒water (4/1)","","- C20 H31 N10 O8.5 -","- C20 H31 N10 O8.5 -","- C80 H124 N40 O34 -","4","1","GG1043","Low, John N.; Cannon, Debbie; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","<i>N</i>-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-<small>L</small>-isoleucine‒water (4/1): interplay of molecular and supramolecular structures","Acta Crystallographica Section C","2001","57","5","604","607","10.1107/S0108270101002475","","","0.71073","MoKα","","0.06","0.042","","","","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012007","13.601","0.003","10.981","0.003","17.973","0.004","90","","102.598","0.006","90","","2619.7","1.1","301","2","301","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C27 H25 F Mo N O4 P -","- C27 H25 F Mo N O4 P -","- C108 H100 F4 Mo4 N4 O16 P4 -","4","1","BM1444","McElroy, Liam; Nieuwenhuyzen, Mark; Saunders, Graham C.","<i>cis</i>-Tetracarbonyl[(4-fluorophenyl)diphenylphosphine-<i>P</i>](piperidine-<i>N</i>)molybdenum(0)","Acta Crystallographica Section C","2001","57","6","678","679","10.1107/S0108270101003614","","","0.71073","MoKα","","0.0392","0.0331","","","","0.0675","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012075","16.997","0.002","8.441","0.001","17.763","0.001","90","","92.57","0.01","90","","2545.9","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Amarisolide Monohydrate","2β-O-β-D-glucopyranosyl neo-cleroda-2,13(16),14-trien-15,16-epoxy- 18,19-olide","","- C26 H38 O10 -","- C26 H38 O10 -","- C104 H152 O40 -","4","1","DA1187","Toscano, Rubén A.; Maldonado, Emma; Ortega, Alfredo; Cárdenas, Jorge","Amarisolide monohydrate, a 2-(β-glucosyl)neoclerodane","Acta Crystallographica Section C","2001","57","7","846","847","10.1107/S0108270101006217","","","0.71073","MoKα","","0.109","0.0616","","","","0.1434","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012261","23.785","0.009","13.61","0.003","19.08","0.007","90","","121.927","0.012","90","","5242","3","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","ORG39097","4,4-dimethyl-22-phenyl-23,24-dinor-5α-cholane-8,14-dien-3β-ol","","- C30 H42 O -","- C30 H42 O -","- C240 H336 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0479","0.0459","","","","0.1194","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012263","64.902","0.004","7.2926","0.0014","11.1447","0.0011","90","","96.055","0.013","90","","5245.4","1.2","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","4,4-dimethyl-23-phenyl-22-oxa-24-nor-5α-cholane-8,14-dien-3β-ol‒water (4/1)","","- C120 H170 O9 -","- C120 H170 O9 -","- C240 H340 O18 -","2","0.5","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0701","0.0449","","","","0.1062","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012466","24.066","0.002","10.017","0.001","7.608","0.001","90","","101.35","0.01","90","","1798.2","0.3","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","Macrocalyxin I","2-[1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-7-hydroxy-4b,8,8-trimethylphenanthren- 2-yl]propenoic acid","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","TA1347","Shi, Hao; Pan, Yuan Jiang","Macrocalyxin I","Acta Crystallographica Section C","2002","58","1","o55","o56","10.1107/S0108270101018625","","","0.71073","MoKα","","0.0576","0.04","","","0.0907","0.0968","","","","","","0.98","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012884","20.5882","0.0014","6.4413","0.0006","11.7354","0.0006","90","","91.004","0.005","90","","1556","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3-Hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrobromide methanol hemisolvate","","- C16.5 H20 Br N O1.5 -","- C16.5 H18 Br N O1.5 -","- C66 H72 Br4 N4 O6 -","4","1","JZ1510","Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.","Two optically active isoquinoline derivatives","Acta Crystallographica Section C","2002","58","8","o503","o506","10.1107/S0108270102011915","","","1.54178","CuKα","","0.0297","0.0275","","","0.079","0.0809","","","","","","1.058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012969","21.054","0.004","9.3083","0.0018","15.551","0.004","90","","106.15","0.02","90","","2927.4","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-ene-17β-ol bromide hemihydrate","","- C32 H46 Br N2 O1.5 -","- C32 H46 Br N2 O1.5 -","- C128 H184 Br4 N8 O6 -","4","1","DE1189","Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P.","3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-en-17β-ol bromide hemihydrate","Acta Crystallographica Section C","2002","58","10","o598","o599","10.1107/S0108270102013434","","","0.71073","MoKα","","0.062","0.034","","","0.072","0.089","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013179","16.055","0.004","6.2858","0.0017","16.895","0.005","90","","109.299","0.005","90","","1609.2","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","dhurrin","(2R)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile dihydrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","LN1156","Calderón, Angela I.; Terreaux, Christian; Gupta, Mahabir P.; Hostettmann, Kurt; Schenk, Kurt J.","Taxiphyllin from <i>Henriettella fascicularis</i>","Acta Crystallographica Section C","2003","59","3","o174","o176","10.1107/S0108270103001355","","","0.71073","MoKα","","0.061","0.033","","","0.043","0.047","","","","","","0.842","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013281","24.0235","0.0005","7.9361","0.0002","20.2167","0.0005","90","","107.824","0.001","90","","3669.37","0.15","150","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H26 N8 O2 -","- C14 H26 N8 O2 -","- C112 H208 N64 O16 -","8","2","GD1245","Zoran Štefanić; Biserka Kojić-Prodić; Zoran Džolić; Darinka Katalenić; Mladen Žinić; Anton Meden","Hydrogen bonding in <i>N</i>,<i>N</i>'-bis[(1<i>S</i>)-2-azido-1-(2-methylpropyl)ethyl]oxalamide: twofold symmetry of <i>R</i>f̱{_2^2}(10) hydrogen-bonded dimers connected into an α-network","Acta Crystallographica Section C","2003","59","6","o286","o288","10.1107/S0108270103005286","","","0.71069","MoKα","","","0.0537","","","","0.1287","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013555","31.548","0.002","11.8574","0.0009","15.6654","0.0011","90","","112.364","0.002","90","","5419.3","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H20.8 N3 O5.9 S -","- C16 H16.3 N3 O5.90533 S -","- C192 H195.6 N36 O70.864 S12 -","12","3","BM1543","Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Teat, Simon J.; Vrcelj, Ranko M.","Cephalexin: a channel hydrate","Acta Crystallographica Section C","2003","59","11","o650","o652","10.1107/S0108270103022649","","","0.6891","Synchrotron","","0.0984","0.074","","","0.1825","0.1929","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013668","15.534","0.001","17.448","0.002","8.2424","0.0007","90","","93.256","0.004","90","","2230.4","0.3","173.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H22 F12 N4 P2 Pt -","- C16 H22 F12 N4 P2 Pt -","- C64 H88 F48 N16 P8 Pt4 -","4","1","OB1141","Koshiyama, Tamami; Kato, Masako","[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>'](α-diimine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(hexafluorophosphate), where α-diimine is 2,2'-bipyridine and 1,10-phenanthroline","Acta Crystallographica Section C","2003","59","11","m446","m449","10.1107/S0108270103020869","","","0.7107","MoKα","","","0.0321","","","","0.077","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013673","16.899","0.003","3.935","0.0006","9.4105","0.0015","90","","103.103","0.003","90","","609.48","0.17","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","barium titanate oxide","monobarium dititanium pentaoxide","","- Ba O5 Ti2 -","- Ba O5 Ti2 -","- Ba6 O30 Ti12 -","6","1.5","SK1654","Kimura, Teiichi; Goto, Takashi; Yamane, Hisanori; Iwata, Hiroaki; Kajiwara, Takashi; Akashi, Takaya","A ferroelectric barium titanate, BaTi~2~O~5~","Acta Crystallographica Section C","2003","59","12","i128","i130","10.1107/S0108270103021395","","","0.71073","MoKα","","0.0462","0.045","","","0.1113","0.1121","","","","","","1.082","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014116","22.504","0.005","9.1632","0.0019","12.279","0.003","90","","109.131","0.004","90","","2392.2","0.9","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","di-μ-acetato-κ^4^O:O'-bis{[(S)-1-(1-aminoethyl)-4-fluorophenyl- k^2^C^2^,N]palladium(II)} benzene hemisolvate","","- C23 H27 F2 N2 O4 Pd2 -","- C23 H27 F2 N2 O4 Pd2 -","- C92 H108 F8 N8 O16 Pd8 -","4","1","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.042","0.0359","","","0.0685","0.0704","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014327","16.9692","0.0011","5.2167","0.0003","12.4065","0.0008","90","","90.942","0.001","90","","1098.11","0.12","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-isoleucyl-L-serin 0.33-hydrate","","- C9 H18.67 N2 O4.33 -","- C9 H18.668 N2 O4.334 -","- C36 H74.672 N8 O17.336 -","4","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0365","0.0339","","","0.0884","0.091","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014329","16.791","0.004","5.0711","0.0011","26.851","0.006","90","","100.926","0.004","90","","2244.9","0.9","105","2","105","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Methionyl-L-Serine 0.34-hydrate","","- C8 H16.68 N2 O4.34 S -","- C8 H16.6775 N2 O4.33875 S -","- C64 H133.42 N16 O34.71 S8 -","8","2","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0897","0.0726","","","0.1937","0.2011","","","","","","1.54","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014416","17.263","0.002","7.5673","0.0007","10.4757","0.0008","90","","93.128","0.008","90","","1366.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-amino-2-(2-O-methyl-β-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","1","TR1128","Zhang, Xiaomei; Budow, Simone; Leonard, Peter; Eickmeier, Henning; Seela, Frank","<i>N</i>^8^-(2'-<i>O</i>-Methylribofuranosyl)-8-aza-7-deazaadenine monohydrate","Acta Crystallographica Section C","2006","62","2","o79","o81","10.1107/S0108270105041983","","","0.71073","MoKα","","0.0371","0.0359","","","0.1064","0.1077","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014580","12.95","0.003","8.036","0.003","20.436","0.006","90","","90.14","0.02","90","","2126.7","1.1","296","","","","","","","","","","","3","C 1 2 1","C 2y","5","Swertisin dihydrate","6-C-glucopyranosyl-7-O-methylapigenin dihydrate","","- C22 H26 O12 -","- C22 H26 O12 -","- C88 H104 O48 -","4","1","SX1162","Ohba, Shigeru; Yoshida, Kumi; Kondo, Tadao","Swertisin dihydrate","Acta Crystallographica Section C","2004","60","12","o893","o896","10.1107/S0108270104028355","","","0.71073","MoKα","","","0.0454","","","","0.1348","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014866","10.675","0.002","7.3502","0.0015","5.1968","0.0011","90","","103.877","0.003","90","","395.86","0.14","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(1S*,2S*,4S*,5S*)Cyclohexane-1,2,4,5-tetrol monohydrate","","- C6 H14 O5 -","- C6 H14 O5 -","- C12 H28 O10 -","2","0.5","OB1226","Goverdhan Mehta; Saikat Sen; Siddharth Dey","(1<i>S</i>*,2<i>S</i>*,4<i>S</i>*,5<i>S</i>*)-Cyclohexane-1,2,4,5-tetrol monohydrate","Acta Crystallographica Section C","2005","61","6","o358","o360","10.1107/S0108270105011066","","","0.71073","MoKα","","0.0333","0.0331","","","0.082","0.0822","","","","","","1.168","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014973","23.066","0.002","5.0026","0.0004","8.022","0.0007","90","","108.871","0.009","90","","875.9","0.14","105","","105","","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","","- C16 H10 Hg N4 S4 -","- C16 H10 Hg N4 S4 -","- C32 H20 Hg2 N8 S8 -","2","0.5","EM1000","Dürüst, Yaşar; Altuğ, Cevher; Bozkurt, Çetin; Fronczek, Frank R.","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","Acta Crystallographica Section C","2005","61","9","m442","m444","10.1107/S0108270105025734","","","0.71073","MoKα","","0.023","0.023","","","0.05","0.05","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015135","14.6984","0.0003","5.0061","0.0001","21.1204","0.0005","90","","96.5502","0.0012","90","","1543.93","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","methyl α-lactoside","methyl 4-O-β-D-galactopyranosyl-α-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","FG1865","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-glucopyranoside (methyl α-lactoside)","Acta Crystallographica Section C","2005","61","12","o674","o677","10.1107/S0108270105033706","","","0.71073","MoKα","","0.0336","0.0321","","","0.0867","0.0947","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015250","23.351","0.005","12.2","0.003","16.972","0.004","90","","96.202","0.004","90","","4806.7","1.9","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 5.25-hydrate","2,3-dimethoxystrychnidin-10-one‒water (1/5.25)","","- C23 H36.5 N2 O9.25 -","- C23 H36.5 N2 O9.25 -","- C184 H292 N16 O74 -","8","2","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0753","0.0655","","","0.1659","0.1729","","","","","","1.009","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015263","13.377","0.002","6.0824","0.0008","23.834","0.003","90","","94.235","0.002","90","","1933.9","0.5","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-(5S,8S,9R,10S,13R,14R)-15-Acetoxy-15,16-dideoxy-16,17-epoxyspongian-16-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","LN3004","Blake, Alexander J.; González, Miguel A.; Gil-Gimeno, Maria J.","(‒)-(5<i>S</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>)-15,16-Dideoxy-16,17-epoxy-16-oxospongian-15-yl acetate","Acta Crystallographica Section C","2006","62","4","o208","o210","10.1107/S0108270106006366","","","0.71073","MoKα","","0.0516","0.0487","","","0.13","0.133","","","","","","0.92","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015278","16.0851","0.0005","7.9458","0.0003","8.0003","0.0003","90","","117.309","0.002","90","","908.55","0.06","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","7-Amino-2,5-dimethylpyrazolo[1,5-a]pyrimidine hemihydrate","","- C8 H11 N4 O0.5 -","- C8 H11 N4 O0.5 -","- C32 H44 N16 O2 -","4","1","SK3006","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine hemihydrate redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2006","62","4","o186","o189","10.1107/S0108270106005373","","","0.71073","MoKα","","0.0372","0.0335","","","0.0873","0.0897","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015339","16.0038","0.0017","5.8679","0.0007","15.9529","0.0018","90","","104.235","0.008","90","","1452.1","0.3","93","1","","","","","","","","","","4","C 1 2 1","C 2y","5","3-methyl-2-benzothiazolinone azine","(1Z,2Z)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","AV3007","Nakano, Taku; Kakuda, Hiroko; Mori, Yoshihiro; Shiro, Motoo","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","Acta Crystallographica Section C","2006","62","6","o331","o332","10.1107/S0108270106014223","","","1.54187","CuKα","","","0.0331","","","","0.0939","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015414","17.865","0.003","8.465","0.002","6.117","0.001","90","","100.22","0.01","90","","910.4","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trichloroacetate) dihydrate","","- C7 H12 Cl6 N6 O6 -","- C7 H12 Cl6 N6 O6 -","- C14 H24 Cl12 N12 O12 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.0378","0.0351","","","0.0819","0.0845","","","","","","1.002","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015420","21.293","0.003","5.9659","0.0008","4.4306","0.0006","90","","101.702","0.011","90","","551.13","0.13","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-decafluorodiphenylamine","","- C12 H F10 N -","- C12 H F10 N -","- C24 H2 F20 N2 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0292","0.0281","","","0.0789","0.0796","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015421","21.417","0.003","5.7778","0.0011","8.1895","0.0014","90","","94.312","0.013","90","","1010.5","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine‒diphenylamine (1/1)","","- C24 H12 F10 N2 -","- C24 H12 F10 N2 -","- C48 H24 F20 N4 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0502","0.0477","","","0.1123","0.1143","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015863","12.7","0.003","6.9721","0.0017","18.422","0.005","90","","107.275","0.003","90","","1557.6","0.7","169","2","169","2","","","","","","","","3","C 1 2 1","C 2y","5","(1S,2R,3R,4S,5S,6R,7S,8S,11S)-myo-inositol-1,2-camphor acetal","5,6-(1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy)benzene-1,2,3,4-tetrol","","- C16 H26 O6 -","- C16 H26 O6 -","- C64 H104 O24 -","4","1","GZ3065","Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew","Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures","Acta Crystallographica Section C","2007","63","3","o169","o172","10.1107/S0108270107004416","","","0.71073","MoKα","","0.1049","0.0571","","","0.0993","0.1129","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015864","13.1708","0.0017","6.9513","0.0009","20.737","0.003","90","","97.899","0.002","90","","1880.5","0.4","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","(1R,2S,3S,4R,5R,6S,7R/S,8S,11S)-myo-inositol-1,2-camphor acetal trihydrate","5,6-(1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy)benzene-1,2,3,4-tetrol","","- C16 H32 O9 -","- C16 H32 O9 -","- C64 H128 O36 -","4","1","GZ3065","Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew","Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures","Acta Crystallographica Section C","2007","63","3","o169","o172","10.1107/S0108270107004416","","","0.71073","MoKα","","0.0363","0.0274","","","0.0575","0.0594","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015869","47.506","0.008","5.392","0.002","8.288","0.002","90","","100.38","0.02","90","","2088.2","1","178","2","178","2","","","","","","","","3","C 1 2 1","C 2y","5","","1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane","","- C21 H28 O8 -","- C21 H28 O8 -","- C84 H112 O32 -","4","1","JZ3053","Bats, Jan W.; Miculka, Christian; Noe, Christian R.","1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane","Acta Crystallographica Section C","2007","63","3","o190","o192","10.1107/S0108270107004830","","","1.5418","CuKα","","0.0366","0.0356","","","0.0987","0.1001","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015937","25.746","0.005","6.1251","0.0009","16.1829","0.0019","90","","113.55","0.01","90","","2339.4","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3,5-bis[(E)-2-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one","","- C27 H23 Cl2 N O -","- C27 H23 Cl2 N O -","- C108 H92 Cl8 N4 O4 -","4","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0588","0.034","","","0.0761","0.0858","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016373","18.6701","0.0004","6.652","0.001","16.06","0.002","90","","123.126","0.008","90","","1670.4","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(2S,3S)-2-(N,N-dibenzylamino)butane-1,3-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","DN3056","Ejsmont, Krzysztof; Joly, Jean-Pierre; Wenger, Emmanuel; Jelsch, Christian","(2<i>S</i>,3<i>S</i>)-2-(<i>N</i>,<i>N</i>-Dibenzylamino)butane-1,3-diol refined using a multipolar atom model","Acta Crystallographica Section C","2008","64","1","o18","o20","10.1107/S0108270107043296","","","0.71073","MoKα","","0.0375","0.0368","","","0.0908","0.0913","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016497","12.95","0.003","7.5571","0.0018","19.364","0.005","90","","100.371","0.005","90","","1864.1","0.8","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","4-phenylazoanilinium hydrogen 4-nitrophthalate","4-(phenyldiazenyl)anilinium 2-carboxy-4-nitrobenzoate","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C80 H64 N16 O24 -","4","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.0545","0.0459","","","0.0923","0.0961","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016545","10.026","0.002","7.4403","0.0014","35.508","0.006","90","","95.512","0.018","90","","2636.5","0.9","296","1","296","1","101","2","","","","","","4","C 1 2 1","C 2y","5","16-hydroxy-oblonginine 3-acetate","(22S,25R)-16β-hydroxy-22,26-epiminocholesta-5-ene-3β-yl acetate","","- C29 H47 N O3 -","- C29 H47 N O3 -","- C116 H188 N4 O12 -","4","1","GD3197","Vega-Baez, José Luis; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Montiel-Smith, Sara; Gómez-Calvario, Victor; Bernès, Sylvain","Accurate stereochemistry for two related 22,26-epiminocholestene derivatives","Acta Crystallographica Section C","2008","64","4","o214","o216","10.1107/S0108270108005763","","","0.71073","MoKα","","0.0559","0.049","","","0.1292","0.1348","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016670","18.37","0.0011","10.005","0.0013","7.9145","0.0014","90","","113.575","0.002","90","","1333.2","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-(2-aminophenyl)-1<i>H</i>-benzimidazol-3-ium dihydrogen phosphate","","- C13 H14 N3 O4 P -","- C13 H14 N3 O4 P -","- C52 H56 N12 O16 P4 -","4","1","GD3204","Shylaja, S.; Mahendra, K. N.; Varma, K. B. R.; Narasimhamurthy, T.; Rathore, R. S.","Hydrogen-bonded sheets in 2-(2-aminophenyl)-1<i>H</i>-benzimidazol-3-ium dihydrogen phosphate","Acta Crystallographica Section C","2008","64","7","o361","o363","10.1107/S010827010801456X","","","0.71073","MoKα","","0.0404","0.0349","","","0.0849","0.0903","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016723","19.9633","0.0006","5.2733","0.0002","11.239","0.0004","90","","106.109","0.002","90","","1136.7","0.07","296","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","7-Deaza-2'-deoxyinosine","7-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-3,7-dihydro-4<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidin-4-one","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","LN3105","Seela, Frank; Ming, Xin; Eickmeier, Henning; Reuter, Hans","7-Deaza-2'-deoxyinosine: a nucleoside showing ambiguous base-pairing properties against the four canonical DNA constituents","Acta Crystallographica Section C","2008","64","8","o417","o419","10.1107/S0108270108019835","","","0.71073","MoKα","","0.0329","0.0321","","","0.0919","0.094","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016824","17.483","0.003","5.8363","0.0009","13.086","0.002","90","","99.033","0.006","90","","1318.7","0.4","166","2","166","2","","","","","","","","5","C 1 2 1","C 2y","5","Rasagiline ethanedisulfonate","bis[(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-aminium] ethanedisulfonate","","- C26 H32 N2 O6 S2 -","- C26 H32 N2 O6 S2 -","- C52 H64 N4 O12 S4 -","2","0.5","DN3098","Brüning, Jürgen; Bats, Jan W.; Schmidt, Martin U.","Rasagiline ethanedisulfonate: an inhibitor for monoamine oxygenase B (MAO~B~)","Acta Crystallographica Section C","2008","64","11","o613","o615","10.1107/S0108270108032526","","","0.71073","MoKα","","0.1144","0.0557","","","0.0985","0.1166","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016867","12.4594","0.0006","7.3115","0.0004","9.5878","0.0005","90","","93.843","0.002","90","","871.45","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.0318","0.0304","","0.0712","0.0702","0.0712","","","","","","0.9789","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016868","12.4267","0.0003","7.30208","0.00018","9.5708","0.0002","90","","93.839","0.002","90","","866.51","0.04","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.029","0.0264","","0.0643","0.0637","0.0643","","","","","","1.0081","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016869","12.419","0.0004","7.2933","0.0002","9.5671","0.0003","90","","93.841","0.003","90","","864.6","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","1.54184","CuKα","","0.0266","0.0264","","0.0709","0.0707","0.0709","","","","","","1.0562","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016870","12.4567","0.0005","7.3097","0.0003","9.592","0.0005","90","","93.8151","0.0016","90","","871.46","0.07","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.0313","0.0285","","0.0671","0.0652","0.0671","","","","","","1.0052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017014","24.5935","0.0005","7.0351","0.0001","24.9875","0.0004","90","","105.116","0.0011","90","","4173.69","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C192 H240 N16 O24 -","8","2","SF3097","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate and 3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate: C—H···π and π‒π intermolecular interactions","Acta Crystallographica Section C","2009","65","3","o88","o91","10.1107/S0108270109003278","","","0.71073","MoKα","","0.0783","0.0419","","","0.0875","0.1021","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017716","14.999","0.0008","5.4114","0.0003","10.8287","0.0006","90","","99.477","0.005","90","","866.92","0.08","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","Methyl-β-D-fructopyranoside","Methyl β-D-fructopyranoside","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","JZ3186","Allscher, Thorsten; Klüfers, Peter","Methyl β-<small>D</small>-fructopyranoside","Acta Crystallographica Section C","2010","66","7","o321","o323","10.1107/S0108270110019888","","","0.71073","MoKα","","0.0355","0.0337","","","0.0903","0.0915","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017741","17.3594","0.0005","5.62712","0.00017","13.9888","0.0006","90","","123.861","0.001","90","","1134.71","0.07","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(<i>S</i>,<i>S</i>,<i>S</i>)-3-Hydroxybut-3-en-2-yl 2-[(2-hydroxypropanoyl)oxy]propanoate","","- C9 H14 O7 -","- C9 H14 O7 -","- C36 H56 O28 -","4","1","BM3098","Lutz, Martin; van Krieken, Jan","(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid","Acta Crystallographica Section C","2010","66","8","o401","o405","10.1107/S0108270110026193","","","0.71073","MoKα","","0.0304","0.0278","","","0.067","0.0685","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017912","16.5474","0.0018","7.5668","0.0009","11.5945","0.0013","90","","115.376","0.005","90","","1311.7","0.3","210","2","210","2","","","","","","","","5","C 1 2 1","C 2y","5","","(7aS,10S,11R,11aR)-12,12-dimethyl-6,6-dioxo-3,4,8,9,10,11-hexhydro- 7<i>H</i>-7a-methano- 2<i>H</i>-[1,3]oxazino[2,3-<i>i</i>][2,1]benzisothiazol-11-ol","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C52 H84 N4 O16 S4 -","4","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0379","0.0317","","","0.0699","0.0726","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017999","30.97","0.002","5.8832","0.0004","7.8239","0.0005","90","","99.825","0.002","90","","1404.63","0.16","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","benzylammonium (<i>R</i>)-2-phenylpropyl-1-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0352","","","","0.0861","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018010","19.6476","0.0012","5.2979","0.0003","26.3354","0.0016","90","","106.865","0.003","90","","2623.4","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","1,<i>N</i>^6^-Etheno-2'-deoxytubercidin hemihydrate","7-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-7<i>H</i>-\ imidazo[1,2-<i>c</i>]pyrrolo[2,3-<i>d</i>]pyrimidine hemihydrate (1,<i>N</i>^6^-etheno-2'-deoxytubercidin hemihydrate","","- C26 H30 N8 O7 -","- C26 H30 N8 O7 -","- C104 H120 N32 O28 -","4","1","GD3377","Seela, Frank; Ding, Ping; Leonard, Peter; Eickmeier, Henning; Reuter, Hans","1,<i>N</i>^6^-Etheno-2'-deoxytubercidin hemihydrate","Acta Crystallographica Section C","2011","67","3","o111","o114","10.1107/S0108270111005087","","","0.71073","MoKα","","0.0414","0.0386","","","0.1039","0.1059","","","","","","1.115","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018039","18.604","0.004","5.5723","0.0006","11.27","0.002","90","","124.192","0.013","90","","966.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","L-cysteinium semioxalate","L-cysteinium semioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C20 H36 N4 O24 S4 -","4","1","KU3041","Minkov, Vasily S.; Boldyreva, Elena V.","<small>L</small>-Cysteinium semioxalate: a new monoclinic polymorph or a hydrate?","Acta Crystallographica Section C","2011","67","4","o139","o142","10.1107/S0108270111009760","","","0.71073","MoKα","","0.0565","0.0357","","","0.082","0.0926","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018123","21.9116","0.0006","8.84942","0.0001","17.2357","0.0004","90","","122.196","0.006","90","","2828.2","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)amide 0.11-hydrate","","- C8 H21.22 N3 O4.11 S2 -","- C8 H21.221 N3 O4.1105 S2 -","- C64 H169.768 N24 O32.884 S16 -","8","2","EG3071","Wölper, Christoph; Anwar, Naveed; Gulzar, Naeem; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXCI. The `almost' polymorphs <i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate","Acta Crystallographica Section C","2011","67","7","o249","o254","10.1107/S0108270111020816","","","0.71073","MoKα","","0.0312","0.0256","","","0.0534","0.054","","","","","","0.953","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2018224","19.753","0.004","5.9369","0.0012","21.343","0.005","90","","101.271","0.003","90","","2454.7","0.9","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<i>O</i>-allyl-L-seryl- α-aminoisobutyryl-L-valine methyl ester","(6S,12S)-methyl 6-(allyloxymethyl)-12-isopropyl-2,2,9,9-tetramethyl-4,7,10-trioxo-3-oxa- 5,8,11-triazatridecan-13-oate","","- C21 H37 N3 O7 -","- C21 H37 N3 O7 -","- C84 H148 N12 O28 -","4","1","SF3155","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<i>O</i>-allyl-<small>L</small>-seryl-α-aminoisobutyryl-<small>L</small>-valine methyl ester: a protected tripeptide with an allylated serine residue","Acta Crystallographica Section C","2011","67","9","o359","o363","10.1107/S0108270111029647","","","0.71073","MoKα","","0.0528","0.0418","","","0.101","0.1069","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018325","22.5418","0.0014","20.4965","0.001","12.5203","0.0008","90","","110.27","0.008","90","","5426.5","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","bis(3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium) α-dodecamolybdo(VI)silicate tetrahydrate","","- C20 H40 Mo12 N8 O44 Si -","- C20 H40 Mo12 N8 O44 Si -","- C80 H160 Mo48 N32 O176 Si4 -","4","1","KU3054","Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium multiple hydrogen-bond donor","Acta Crystallographica Section C","2011","67","12","m378","m383","10.1107/S0108270111047159","","","0.71073","MoKα","","0.0323","0.0269","","","0.0552","0.056","","","","","","0.907","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018776","21.8568","0.0012","8.0321","0.0004","16.8886","0.0009","90","","99.337","0.004","90","","2925.6","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","<i>catena</i>-poly[[bis[nitratosilver(I)]- bis{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] monohydrate]","","- C20 H34 Ag2 N6 O13 S2 -","- C20 H34 Ag2 N6 O13 S2 -","- C80 H136 Ag8 N24 O52 S8 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0221","0.0187","","","0.0401","0.0408","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018801","30.515","0.002","8.3572","0.0009","7.443","0.0007","90","","96.507","0.003","90","","1885.9","0.3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)platinum(IV) bis(perchlorate) 1.5-hydrate","","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C24 H76 Cl8 N24 O38 Pt4 S8 -","4","1","WQ3023","Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro","A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)","Acta Crystallographica Section C","2013","69","2","146","149","10.1107/S0108270113000541","","","0.71073","MoKα","","0.0213","0.02","","","0.0407","0.0416","","","","","","0.839","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018871","7.116","","4.993","","6.508","","90","","105.62","","90","","222.691","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi B3 O6","","- B3 Bi O6 -","- B3 Bi O6 -","- B6 Bi2 O12 -","2","0.5","","Liebertz, J.; Froehlich, R.; Bohaty, L.","Die Kristallstruktur von Wismutborat, Bi B3 O6","Acta Crystallographica C (39,1983-)","1984","40","","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018954","18.7682","0.0008","5.0027","0.0002","21.2122","0.001","90","","101.99","0.004","90","","1948.2","0.15","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","triammonium 5-sulfosalicylate","Triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","","- C14 H21 N3 O12 S2 -","- C14 H21 N3 O12 S2 -","- C56 H84 N12 O48 S8 -","4","1","FG3289","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2013","69","5","534","537","10.1107/S0108270113008846","","","0.71073","MoKα","","0.0343","0.0292","","","0.0625","0.0636","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019078","15.9945","0.0007","6.7767","0.0003","9.502","0.0004","90","","104.795","0.002","90","","995.77","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","","- C24 H16 N2 O4 Pb -","- C24 H16 N2 O4 Pb -","- C48 H32 N4 O8 Pb2 -","2","0.5","FA3319","Guo, Yi-Ping; Wang, Hui; Li, Guo-Ting","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","Acta Crystallographica Section C","2013","69","8","872","875","10.1107/S0108270113019045","","","0.71073","MoKα","","0.0317","0.0315","","","0.0746","0.0747","","","","","","1.095","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2019189","17.183","0.005","9.482","0.003","20.058","0.007","90","","110.42","0.01","90","","3062.7","1.7","297","2","297","2","","","","","","","","6","C 1 2 1","C 2y","5","Cs2.91Na1.34Fe0.25[Fe3O(SO4)6(H2O)3].5H2O","tricaesium sodium iron(III) μ~3~-oxido-hexa-μ~2~-sulfato-tris[aquairon(III)] pentahydrate","","- Cs2.91 Fe3.25 H16 Na1.34 O33 S6 -","- Cs2.911 Fe3.25 H16 Na1.339 O33 S6 -","- Cs11.644 Fe13 H64 Na5.356 O132 S24 -","4","1","OV3034","Mereiter, Kurt","Cs~2.91~Na~1.34~Fe^3+^~0.25~[Fe~3~O(SO~4~)~6~(H~2~O)~3~]·5H~2~O, a member of the Maus's salt family","Acta Crystallographica Section C","2013","69","10","1085","1090","10.1107/S0108270113023275","","","0.71073","MoKα","","0.0358","0.0279","","","0.0513","0.0535","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019457","13.248","0.002","4.9913","0.001","16.312","0.006","90","","100.18","0.02","90","","1061.6","0.5","143","2","143","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-Deoxy-1'-(2,4,5-trifluorophenyl)-β-<i>D</i>-ribofuranose","","- C11 H11 F3 O4 -","- C11 H11 F3 O4 -","- C44 H44 F12 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0348","0.0303","","","0.078","0.0804","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019770","13.938","0.005","7.941","0.003","5.056","0.0017","90","","90.817","0.004","90","","559.5","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","taikanite-type","Tricalcium zinc germanium dioxide dodecaoxidotetragermanate","","- Ca3 Ge5 O14 Zn -","- Ca3 Ge5 O14 Zn -","- Ca6 Ge10 O28 Zn2 -","2","0.5","FP3002","Redhammer, Günther J.","Ca~3~ZnGeO~2~[Ge~4~O~12~]: a Ca‒Zn germanate related to the mineral taikanite","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027466","","","0.71073","MoKα","","0.0301","0.0297","","","","0.076","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019861","18.3559","0.0011","9.6747","0.0005","10.3368","0.0006","90","","116.81","0.002","90","","1638.37","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis[<i>S</i>-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C30 H42 N4 Pd S4 -","- C30 H42 N4 Pd S4 -","- C60 H84 N8 Pd2 S8 -","2","0.5","","Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m63","","10.1107/S2056989015002236","","","1.54187","CuKα","","0.0989","0.0905","","","0.2136","0.2245","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019908","20.598","0.004","7.679","0.0014","9.7974","0.0017","90","","95.553","0.003","90","","1542.4","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Poly[dibromidobis(μ~2~-<i>L</i>-proline)calcium(II)]","","- C10 H18 Br2 Ca N2 O4 -","- C10 H18 Br2 Ca N2 O4 -","- C40 H72 Br8 Ca4 N8 O16 -","4","1","YP3093","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","One- and two-dimensional polymers from proline and calcium bromide","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005008","","","0.71073","MoKα","","0.0482","0.0419","","","0.0947","0.0983","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019994","21.7231","0.0019","5.6603","0.0004","32.075","0.003","90","","98.95","0.008","90","","3895.9","0.6","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.2503","0.0868","","","0.1129","0.1624","","","","","","0.94","","","","has coordinates,has Fobs","139369","2020-10-21","18:00:00",""
"2020005","33.2283","0.0019","6.6469","0.0004","7.4241","0.0004","90","","91.299","0.005","90","","1639.3","0.16","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-phenylalaninato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C17 H17 N O4 Zn -","- C17 H17 N O4 Zn -","- C68 H68 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0465","0.0382","","","0.0732","0.0778","","","","","","0.986","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020172","10.171","","6.603","","18.155","","90","","106.29","","90","","1170.32","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","(H3 O) (Zr F5) (H2 O)2","","- F5 H7 O3 Zr -","- F5 O3 Zr -","- F40 O24 Zr8 -","8","2","","Charpin, P.; Lance, M.; Nierlich, M.; Vigner, J.; Lambard, J.","Structures of oxonium pentafluorozirconate mono- and dihydrates.","Acta Crystallographica C (39,1983-)","1988","44","","1698","1701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020318","32.936","0.008","19.718","0.004","21.569","0.005","90","","112.18","0.03","90","","12971","6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Thymidine 3':5'-cyclic phosphate sodium salt 3.7-hydrate","Sodium thymidine 3':5'-cyclic phosphate 3.7-hydrate","","- C10 H19.4 N2 Na O10.7 P -","- C10 H14.8225 N2 Na O10.7189 P -","- C320 H474.32 N64 Na32 O343.004 P32 -","32","8","","Ślepokura, Katarzyna Anna","3':5'-Cyclic nucleotides: two sodium salts of cdTMP","Acta Crystallographica Section C","2016","72","1","35","47","10.1107/S2053229615022536","","","0.71073","MoKα","","0.1132","0.0521","","","0.0759","0.0821","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176617","2020-10-21","18:00:00",""
"2020443","32.1","0.006","10.56","0.002","15.8","0.003","90","","110.7","0.03","90","","5010.1","1.9","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[μ-(<i>R</i>)-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-6,7-dihydro-3<i>H</i>-benzofuro[5,6-<i>d</i>]imidazol-1-ido]bis{dimethanol[(<i>R</i>)-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-6,7-dihydro-3<i>H</i>-benzofuro[5,6-<i>d</i>]imidazol-1-ido]calcium(II)} methanol hexasolvate","","- C90 H128 Ca2 N12 O26 S4 -","- C90 H128 Ca2 N12 O26 S4 -","- C180 H256 Ca4 N24 O52 S8 -","2","0.5","LF3028","Cong, Hengjiang","Crystal structure and bonding analysis of the first dinuclear calcium(II)‒proton-pump inhibitor (PPI) `butterfly molecule': a combined microcrystal synchrotron and DFT study","Acta Crystallographica Section C","2016","72","4","326","336","10.1107/S2053229616004216","","","0.79987","synchrotron","","0.0364","0.0358","","","0.0941","0.0948","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","182543","2020-10-21","18:00:00",""
"2020481","21.26","0.003","5.7264","0.0006","14.2762","0.0016","90","","103.456","0.007","90","","1690.3","0.4","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","(4-methylsulfonyl-2-nitrophenyl)-N-L-phenylalanine","<i>N</i>-(4-Methylsulfonyl-2-nitrophenyl)-<i>L</i>-phenylalanine","","- C16 H16 N2 O6 S -","- C16 H16 N2 O6 S -","- C64 H64 N8 O24 S4 -","4","1","QS3054","Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J.","Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2016","72","5","405","410","10.1107/S2053229616005763","","","0.71075","MoKα","","0.0476","0.0385","","","0.088","0.0923","","","","","","1.028","","","","has coordinates,has Fobs","183634","2020-10-21","18:00:00",""
"2020515","23.908","0.005","7.4853","0.0015","15.363","0.003","90","","91.89","0.03","90","","2747.8","1","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>R</i>,24<i>S</i>)-20-24-Epoxydammarane-3β,12β,25-triol","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","LF3031","Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007270","","","0.71073","MoKα","","0.0477","0.0445","","","0.1057","0.1101","","","","","","1.104","","","","has coordinates","182994","2020-10-21","18:00:00",""
"2020529","29.1721","0.0018","4.7784","0.0003","9.8551","0.0006","90","","103.145","0.002","90","","1337.77","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","<i>L</i>-2-Aminobutyric acid:<i>D</i>-methionine <i>L</i>-Abu:<i>D</i>-Met","(<i>S</i>)-2-aminobutanoic acid‒(<i>R</i>)-2-amino-4-(methylsulfanyl)butanoic acid (1/1)","","- C9 H20 N2 O4 S -","- C8.992 H19.984 N2 O4 S0.998 -","- C35.968 H79.936 N8 O16 S3.992 -","4","1","SK3626","Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim","A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1)","Acta Crystallographica Section C","2016","72","7","536","543","10.1107/S2053229616008858","","","0.71073","MoKα","","0.0796","0.0431","","","0.1055","0.1229","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","185020","2020-10-21","18:00:00",""
"2020815","29.0091","0.0018","7.7205","0.0003","29.9984","0.0018","90","","114.524","0.003","90","","6112.5","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol hemihydrate","","- C32 H55 O5.5 -","- C32 H55 O5.5 -","- C256 H440 O44 -","8","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.081","0.0622","","","0.1654","0.1854","","","","","","1.046","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2021096","37.656","0.008","7.031","0.002","21.959","0.004","90","","120.9","0.03","90","","4989","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Pentasodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) tetracosahydrate","","- C52 H119 N20 Na5 O60 P8 -","- C52 H75 N20 Na5 O59.4124 P8 -","- C104 H150 N40 Na10 O118.825 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1409","0.0816","","","0.1821","0.1993","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021097","39.474","0.009","6.964","0.002","18.656","0.005","90","","115.18","0.03","90","","4641","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Sodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) pentadecahydrate","","- C52 H105 N20 Na O51 P8 -","- C52 H79 N20 Na O51 P8 -","- C104 H158 N40 Na2 O102 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1339","0.1022","","","0.271","0.3093","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021356","12.984","0.002","6.2961","0.0011","21.265","0.004","90","","94.306","0.005","90","","1733.5","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>)-3-Chloro-10,13-dimethyl-17-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde","","- C20 H27 Cl O2 -","- C20 H27 Cl O2 -","- C80 H108 Cl4 O8 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0553","0.0419","","","0.0861","0.0896","","","","","","1.059","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021616","6.6775","0.0005","5.0982","0.0004","4.19239","0.00029","90","","109.259","0.0013","90","","134.736","0.017","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Barium Calcium Carbonate","","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","1","0.25","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn","A new BaCa(CO3)2 polymorph","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","","","10.1107/S2052520619003238","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.13286","","","","","","","","","has coordinates,has Fobs","215128","2020-10-21","18:00:00",""
"2022284","40.6637","0.0009","4.52749","0.00012","12.7049","0.0003","90","","98.027","0.002","90","","2316.11","0.1","100.01","0.1","100","","","","","","","","","5","C 1 2 1","C 2y","5","","(1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione","","- C27 H23 Cl N2 O9 -","- C27 H23 Cl N2 O9 -","- C108 H92 Cl4 N8 O36 -","4","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54184","CuKα","","0.039","0.034","","","0.0798","0.0823","","","","","","1.017","","","","has coordinates,has Fobs","259255","2020-11-26","05:08:45",""
"2022339","29.4665","0.0014","22.1299","0.0011","28.9371","0.0014","90","","97.3964","0.0014","90","","18712.6","1.6","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","Poly[[tetra-μ~3~-chlorido-deca-μ~2~-chlorido-dichloridohexakis(μ~4~-<i>L</i>-cysteinato)hexadecacopper] polyhydrate]","","- C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -","- C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -","- C144 H298.72 Cl128 Cu128 N48 O103.88 S48 -","4","1","HB7953","Gizatullin, Amir; Becker, Jonathan; Islamov, Daut; Serov, Nikita; Schindler, Siegfried; Klimovitskii, Alexander; Shtyrlin, Valery","Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters","Acta Crystallographica Section E Crystallographic Communications","2021","77","4","324","330","10.1107/S2056989021002012","","","0.71073","MoKα","","0.0584","0.0412","","","0.1062","0.1138","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","262380","2021-03-03","07:11:01",""
"2022430","9.7415","0.0006","16.3378","0.0008","9.6396","0.0005","90","","91.68","0.002","90","","1533.53","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","4,4',4'',4'''-(Cyclobutane-1,2,3,4-tetrayl)tetrapyridinium bis(sulfate) octahydrate","","- C24 H40 N4 O16 S2 -","- C24 H40 N4 O16 S2 -","- C48 H80 N8 O32 S4 -","2","0.5","OV3153","Santana, Carlos L.; Reinheimer, Eric W.; Groeneman, Ryan H.","Square network based upon the molecular salt of the tetraprotonated photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane and the sulfate anion","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008597","","","0.71073","MoKα","","0.0337","0.0331","","","0.0883","0.0887","","","","","","1.016","","","","has coordinates,has Fobs","268226","2021-08-26","02:02:53",""
"2100018","40.254","","12.53","","11.134","","90","","98.48","","90","","5554.4","","","","","","","","","","","","","5","C 1 2 1","","","","","","- C48 H70 I N11 O13 -","- C48 H70 I N11 O13 -","- C192 H280 I4 N44 O52 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2100021","23.2475","","7.9835","","23.097","","90","","132.93","","90","","3138.68","","","","","","","","","","","","","4","C 1 2 1","","","","","","- C32 H42 O6 Ti2 -","- C32 H42 O6 Ti2 -","- C128 H168 O24 Ti8 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100079","19.127","","6.897","","15.147","","90","","119.85","","90","","1733.08","","","","","","","","","","","","","6","C 1 2 1","","","","","","- C13 H21 Cl N2 O5 S -","- C13 H20 Cl N2 O5 S -","- C52 H80 Cl4 N8 O20 S4 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100086","21.735","","4.93","","17.386","","90","","123.5","","90","","1553.51","","","","","","","","","","","","","3","C 1 2 1","","","","","","- C13 H25 O10.5 -","- C13 O11 -","- C52 O44 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100091","17.138","","9.998","","13.404","","90","","119.2","","90","","2004.86","","","","","","","","","","","","","4","C 1 2 1","","","","","","- C20 H29 N O4 -","- C20 H29 N O4 -","- C80 H116 N4 O16 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100207","18.998","0.009","24.82","0.01","16.662","0.007","90","","105.29","0.03","90","","7579","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(4-chlorophenoxy) acetic acid/beta-Cyclodextrin complex","","- C50 H77 Cl O55.25 -","- C50 H45 Cl O55.2 -","- C200 H180 Cl4 O220.8 -","4","1","NS5002","Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris","Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2005","61","2","207","217","10.1107/S0108768105004106","","","1.5418","CuKα","","0.2023","0.1231","","","0.3139","0.3988","","","","","","1.457","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100216","26.6049","0.0004","7.7044","0.0001","22.9126","0.0003","90","","93.424","0.001","90","","4688.12","0.11","295","","295","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H37 O5.5 -","- C24 H35.5 O5.5 -","- C192 H284 O44 -","8","2","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0739","0.0548","","","0.1497","0.1663","","","","","","1.014","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100471","15.119","0.0014","5.784","0.0007","13.8788","0.0015","90","","105.765","0.007","90","","1168","0.2","150","","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine malonate","","- C11.5 H17 N O3 -","- C11.5 H17 N O3 -","- C46 H68 N4 O12 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1051","0.0563","","","0.1112","0.129","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100472","14.287","0.002","6.1075","0.0007","14.993","0.002","90","","93.211","0.006","90","","1306.2","0.3","150","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine mesylate","","- C11 H19 N O4 S -","- C11 H19 N O4 S -","- C44 H76 N4 O16 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0776","0.0478","","","0.1019","0.1193","","","","","","1.101","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100474","14.6992","0.001","5.6433","0.0004","15.2432","0.0014","90","","97.333","0.003","90","","1254.11","0.17","150","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine dihydrogen phosphate","","- C10 H18 N O5 P -","- C10 H18 N O5 P -","- C40 H72 N4 O20 P4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0689","0.051","","","0.1068","0.1194","","","","","","1.073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100475","30.9967","0.0017","6.9861","0.0004","5.617","0.0003","90","","93.354","0.003","90","","1214.26","0.12","150","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine bisulfate","","- C10 H17 N O5 S -","- C10 H17 N O5 S -","- C40 H68 N4 O20 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1501","0.0735","","","0.1049","0.1253","","","","","","1.116","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101401","26.555","0.003","8.737","0.001","11.494","0.001","90","","114.32","0.02","90","","2430.1","0.6","","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C24 H31 N O9 -","- C24 H31 N O9 -","- C96 H124 N4 O36 -","4","1","CR0493","Karle, J. M.; Lin, Ai. J.","Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~","Acta Crystallographica Section B","1995","51","6","1063","1068","10.1107/S0108768195005581","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101708","8.464","0.002","5.8518","0.0013","15.868","0.002","90","","107.56","0.02","90","","749.3","0.3","122","0.5","122","0.5","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-(-)-para-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","0.71073","MoKα","","0.0432","0.0356","","0.1134","0.0948","","","","1.121","1.099","1.099","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101872","21.4","0.002","6.2777","0.0006","17.853","0.002","90","","109.304","0.008","90","","2263.6","0.4","122","1","122","1","","","","","","","","4","C 1 2 1","C 2y","5","","cinchonidinium (S)-mandelate","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","AB0369","Gjerløv, A.; Larsen, S.","A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues","Acta Crystallographica Section B","1997","53","4","708","718","10.1107/S0108768197003480","","","1.54184","CuKα","","0.0261","0.0259","","0.0723","0.0721","","","","0.944","0.946","0.946","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102124","5.2252","0.0001","4.6991","0.0001","5.8534","0.0001","90","","108.2","0.002","90","","136.533","0.005","293","","293","","","","","","","","","2","C 1 2 1","C 2y","5","Z-Ta2O5","ditantalum penta oxide","","- O5 Ta2 -","- O5 Ta2 -","- O10 Ta4 -","2","0.5","OS0050","Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E.","Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~","Acta Crystallographica Section B","2000","56","4","659","665","10.1107/S0108768100005462","","","1.54056","CuKα~1~","","","","","","","","","","1.07","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102232","30.2259","0.0011","6.4043","0.0002","7.3667","0.0003","90","","94.61","0.002","90","","1421.4","0.09","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H36 Ca N10 O16 -","- C18 H36 Ca N10 O16 -","- C36 H72 Ca2 N20 O32 -","2","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0785","0.0485","","","0.0872","0.096","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102233","30.642","0.0005","6.4888","0.0001","7.3733","0.0001","90","","94.4319","0.0009","90","","1461.65","0.04","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H36 N10 O16 Sr -","- C18 H36 N10 O16 Sr -","- C36 H72 N20 O32 Sr2 -","2","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0282","0.0279","","","0.0688","0.069","","","","","","1.044","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102566","21.3279","0.0008","8.9299","0.0004","8.8382","0.0004","90","","99.4537","0.0017","90","","1660.43","0.12","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4'-Hexaacetato-6,6'-bis-O-methylsulfonyl-α,α'-trehalose","","- C26 H38 O21 S2 -","- C26 H38 O21 S2 -","- C52 H76 O42 S4 -","2","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0575","0.0514","","","0.132","0.1453","","","","","","1.051","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102580","29.39","0.006","12.882","0.003","10.609","0.002","90","","103.373","0.003","90","","3907.7","1.4","90","0.2","90","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu dimethylsuloxide","","- C35 H47 N5 O7 S3 -","- C35 H47 N5 O7 S3 -","- C140 H188 N20 O28 S12 -","4","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0526","0.0443","","","0.1136","0.1184","","","","","","0.992","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102631","25.169","0.003","15.018","0.003","19.429","0.004","90","","93.3","0.02","90","","7332","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","Ba@C74","endohedral Barium fullerene [74]","","- C122 H56 Ba Co N4 -","- C122 Ba Co N4 -","- C488 Ba4 Co4 N16 -","4","1","NA5020","Karen Friese; Martin Panthöfer; Guang Wu; Martin Jansen","?","Acta Crystallographica, Section B","2004","60","4","520","527","10.1107/S010876810401451X","","","0.643","synchrotron","","0.265","0.1309","","","0.1455","0.1862","","","","","","2.44","","","","has coordinates","192328","2020-10-21","18:00:00",""
"2102851","23.2312","0.0013","4.975","0.0004","15.484","0.002","90","","112.53","0.01","90","","1653","0.3","90","2","90","0.2","","","","","","","","3","C 1 2 1","C 2y","5","'cis-2,3-tetralindiol trans-2,3-tetralindiol","cis-1,2,3,4-tetrahydro-2,3-naphthalenediol trans-1,2,3,4-tetrahydro-2,3-naphthalenediol","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","1.54178","CuKα","","0.0816","0.0793","","","0.2273","0.2292","","","","","","1.179","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103128","20.5","0.004","4.6656","0.0009","14.201","0.003","90","","99.68","0.03","90","","1338.9","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-Bipyridyl‒(S)-malic acid (1/1), monoclinic polymorph","","- C28 H28 N4 O10 -","- C28 H28 N4 O10 -","- C56 H56 N8 O20 -","2","0.5","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.0781","0.0452","","","0.1025","0.1226","","","","","","1.052","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103162","19.363","","24.597","","15.937","","90","","108.95","","90","","7178.96","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","(?-cyclodextrin)2. [tridecanoic acid].19.5H2O","","- C97 H205 O91.5 -","- C272 H12 O199.64 -","- C272 H12 O199.64 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103163","19.316","","24.564","","15.935","","90","","108.9","","90","","7153.17","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","(?-cyclodextrin)2. [(Z)-tetradec-7-enoic acid]. 14.9H2O.","","- C98 H195.8 O86.9 -","- C224 H1.36 O180 -","- C224 H1.36 O180 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103261","27.898","0.006","5.145","0.001","15.648","0.003","90","","93.49","0.03","90","","2241.9","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid diamide","","- C23 H21 N3 O6 -","- C23 H21 N3 O6 -","- C92 H84 N12 O24 -","4","1","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","1.54178","CuKα","","0.1384","0.0459","","","0.1074","0.1389","","","","","","1.002","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103606","10.565","0.003","6.4178","0.0013","8.039","0.002","90","","91.05","0.04","90","","545","0.2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Dithallium (I)-Molybdate (VI)","","- Mo O4 Tl2 -","- Mo O4 Tl2 -","- Mo4 O16 Tl8 -","4","1","NA0110","Friese, Karen; Aroyo, Mois I.; Folcia, Cesar L.; Madariaga, Gotzon; Breczewski, Tomasz","Characterization of the room-temperature phase of Tl~2~MoO~4~: crystal structure, symmetry mode analysis and second-harmonic generation measurements","Acta Crystallographica Section B","2001","57","2","142","150","10.1107/S0108768100015597","","","0.71069","MoKα","","0.0611","0.0285","","","","0.0388","","","","","","0.708","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103745","19.008","0.003","5.073","0.002","13.6723","0.0019","90","","101.109","0.013","90","","1293.7","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","L-Arginine-Glutaricacid-complex","","","- C17 H40 N8 O10 -","- C17 H40 N8 O10 -","- C34 H80 N16 O20 -","2","0.5","DE0013","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes","Acta Crystallographica Section B","2001","57","6","842","849","10.1107/S0108768101013684","","","1.5418","CuKα","","0.0746","0.0534","","","","0.1581","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103748","29.31","0.05","9.976","0.01","19.34","0.02","90","","121.07","0.02","90","","4844","11","20","2","20","2","","","","","","","","3","C 1 2 1","C 2y","5","[CA10]","[Cyclodecaamylose].27.18 H2 O","","- C60 H153.42 O77.18 -","- C60 H153.42 O77.18 -","- C120 H306.84 O154.36 -","2","0.5","JZ0013","Imamura, K.; Nimz, O.; Jacob, J.; Myles, D.; Mason, S. A.; Kitamura, S.; Aree, T.; Saenger, W.","Hydrogen-bond network in cyclodecaamylose hydrate at 20K; neutron diffraction study of novel structural motifs band-flip and kink in α-(1→4)-<small>D</small>-glucoside oligosaccharides","Acta Crystallographica Section B","2001","57","6","833","841","10.1107/S0108768101014288","","neutron","1.532","neutron","","0.0681","0.0635","","","","0.1477","","","","","","1.056","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103749","22.493","0.005","5.1624","0.0013","9.73","0.004","90","","95.68","0.03","90","","1124.3","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-argininium hydrogenselenite","","- C6 H16.305 N4 O5.1525 Se -","- C6 H16.305 N4 O5.1525 Se -","- C24 H65.22 N16 O20.61 Se4 -","4","1","NA0124","de Matos Gomes, E.; Nogueira, E.; Fernandes, I.; Belsley, M.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martín-Gil, J.; Martín-Gil, F.; Mano, J. F.","Synthesis, structure, thermal and non-linear optical properties of <small>L</small>-argininium hydrogen selenite","Acta Crystallographica Section B","2001","57","6","828","832","10.1107/S0108768101009880","","","0.71073","MoKα","","0.0249","0.0223","","","","0.0598","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103880","19.319","0.002","24.19","0.006","33.315","0.007","90","","103.924","0.014","90","","15112","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","beta-Cyclodextrin/ 1,2-bis(4-aminophenyl)ethane complex","","","- C112 H127 N4 O88.08 -","- C112 H127 N4 O88.07 -","- C448 H508 N16 O352.28 -","4","1","NS0010","Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M.","Molecular structures of the inclusion complexes β-cyclodextrin‒1,2-bis(4-aminophenyl)ethane and β-cyclodextrin‒4,4'-diaminobiphenyl; packing of dimeric β-cyclodextrin inclusion complexes","Acta Crystallographica Section B","2003","59","2","287","299","10.1107/S010876810300257X","","","1.5418","CuKα","","0.121","0.0826","","","0.2191","0.257","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103962","30.278","0.007","5.1414","0.0012","19.355","0.005","90","","115.776","0.007","90","","2713.2","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","DL-arginineComplex","","","- C19 H44 N8 O10 -","- C19 H44 N8 O10 -","- C76 H176 N32 O40 -","4","1","DE0021","Saraswathi, N. T.; Roy, Siddhartha; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XLI. Commonalities in aggregation and conformation revealed by the crystal structures of the pimelic acid complexes of <small>L</small>-arginine and <small>DL</small>-lysine","Acta Crystallographica Section B","2003","59","5","641","646","10.1107/S0108768103013685","","","0.71073","MoKα","","0.0438","0.0394","","","0.0917","0.0939","","","","","","1.231","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104115","31.731","0.006","7.727","0.002","11.017","0.002","90","","106.28","0.03","90","","2592.9","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","bis(23-methoxycarbonyl-24-nor-5beta-cholan -3alpha-yl)terephtalate","","- C58 H86 O8 -","- C58 H86 O8 -","- C116 H172 O16 -","2","0.5","BK5073","Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław","Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments","Acta Crystallographica Section B","2008","64","3","383","392","10.1107/S0108768108006514","","","1.54178","CuKα","","0.2717","0.0459","","","0.0919","0.1372","","","","","","0.859","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104204","14.4051","0.0009","5.9715","0.0003","7.2312","0.0003","90","","90.195","0.003","90","","622.02","0.06","233","2","233","2","","","","","","","","5","C 1 2 1","C 2y","5","ammonium pentafluorooxoniobate(V)","ammonium pentafluorooxoniobate(V)","","- F5 H8 N2 Nb O -","- F5 H2 N2 Nb O -","- F20 H8 N8 Nb4 O4 -","4","1","BP5012","Udovenko, Anatoly A.; Laptash, Natalia M.","Orientational disorder and phase transitions in crystals of (NH~4~)~2~NbOF~5~","Acta Crystallographica Section B","2008","64","5","527","533","10.1107/S0108768108021289","","","0.71073","MoKα","","0.0191","0.0188","","","0.0524","0.0527","","","","","","1.139","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104251","32.006","0.002","5.4698","0.0004","20.8451","0.001","90","","128.69","0.003","90","","2848.4","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","((R)-2-phenylpropionic acid).(iso-nicotinamide)","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","2","BS5070","Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A.","Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide","Acta Crystallographica Section B","2008","64","6","780","790","10.1107/S0108768108034526","","","0.71073","MoKα","","0.1109","0.049","","","0.0987","0.1233","","","","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104291","7.3786","0.0005","4.3992","0.0003","6.3388","0.0005","90","","104.374","0.005","90","","199.32","0.03","293","","","","4300000","","4300000","","","","","3","C 1 2 1","C 2y","5","","bismuth borate - alpha at P = 4.3 GPa","","- B3 Bi O6 -","- B3 Bi O6 -","- B6 Bi2 O12 -","2","0.5","KD5025","Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M.","High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data","Acta Crystallographica Section B","2009","65","1","1","10","10.1107/S0108768108029340","","","0.44397","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104298","16.9672","0.0009","8.0833","0.0003","25.0204","0.0005","90","","116.312","0.003","90","","3076","0.2","100","0.5","100","0.5","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C41 H26 N2 O8 -","- C41 H26 N2 O8 -","- C164 H104 N8 O32 -","4","1","SO5018","Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek","Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods","Acta Crystallographica Section B","2009","65","1","86","95","10.1107/S0108768108041827","","","1.54184","CuKα","","0.0901","0.0894","","","0.2463","0.2472","","","","","","1.026","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104301","22.374","0.004","9.319","0.002","20.515","0.004","90","","110.14","0.03","90","","4015.9","1.6","130","0.5","130","0.5","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H40 N4 O8 S -","- C46 H39.28 N4 O8 S -","- C184 H157.12 N16 O32 S4 -","4","1","SO5018","Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek","Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods","Acta Crystallographica Section B","2009","65","1","86","95","10.1107/S0108768108041827","","","0.71073","MoKα","","0.0647","0.047","","","0.0718","0.0775","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104405","23.7282","","5.6491","","8.6817","","90","","95.87","","90","","1157.62","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Bi10 Mo3 O24 -","- Bi10 Mo3 -","- Bi20 Mo6 -","2","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104407","34.476","","5.6414","","8.6433","","90","","99.69","","90","","1657.08","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Bi14 Mo5 O36 -","- Bi14 Mo5 -","- Bi28 Mo10 -","2","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104586","8.913","0.002","5.0967","0.0011","31.892","0.007","90","","95.313","0.003","90","","1442.5","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","N-benzyl-D-glycero-D-gulo-heptonamide","","- C14 H21 N O7 -","- C14 H20.5 N O7 -","- C56 H82 N4 O28 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104805","28.37","0.002","6.6841","0.0005","21.6271","0.0016","90","","105.94","0.001","90","","3943.4","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","tert-butyltr\:oger's base","S,S-2,8-bis(tert-butyl)-6H,12H-5,11-methanodibenzo[bf][1,5]diazocine","","- C23 H30 N2 -","- C23 H30 N2 -","- C184 H240 N16 -","8","2","RY5032","Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey","Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons","Acta Crystallographica Section B","2010","66","4","472","481","10.1107/S0108768110021981","","","0.71073","MoKα","","0.0775","0.0541","","","0.1068","0.1198","","","","","","1.013","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104832","11.48059","0.00043","8.00253","0.0003","5.93697","0.00026","90","","112.328","0.0025","90","","504.56","0.04","348","","348","","","","","","","","","4","C 1 2 1","C 2y","5","Magnesium perchlorate dihydrate","","","- Cl2 H8 Mg O12 -","- Cl2 H8 Mg O12 -","- Cl4 H16 Mg2 O24 -","2","0.5","KD5043","Robertson, Kevin; Bish, David","Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method","Acta Crystallographica Section B","2010","66","6","579","584","10.1107/S0108768110039686","powder diffraction","","1.5418","CuKα","","","","","","","","","0.058","15.05","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105042","17.518","0.0008","6.9291","0.0001","12.0344","0.0002","90","","133.655","0.004","90","","1056.89","0.09","293","2","296","2","","","","","","","Synthetic","4","C 1 2 1","C 2y","5","","","Bassanite","- Ca H O4.5 S -","- Ca H O4.5 S -","- Ca12 H12 O54 S12 -","12","3","SN5106","Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang","Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O","Acta Crystallographica Section B","2011","67","6","467","475","10.1107/S0108768111041759","","","0.71073","MoKα","","0.0577","0.0424","","","0.0883","0.0956","","","","","","0.973","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2105073","18.8929","","24.4634","","15.7376","","90","","110.52","","90","","6812.18","","295","","295","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C50 H102 O46 S2 -","- C50 O46 S2 -","- C200 O184 S8 -","4","1","GP5045","Rácz, Csaba-Pal; Borodi, Gheorghe; Pop, Mihaela Maria; Kacso, Irina; Sánta, Szabolcs; Tomoaia-Cotisel, Maria","Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data","Acta Crystallographica Section B","2012","68","2","164","170","10.1107/S0108768112004284","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.12487","","5.53","","","","","","","has coordinates,has Fobs","200438","2020-10-21","18:00:00",""
"2105443","28.7452","0.0004","27.0276","0.0004","15.7252","0.0001","90","","95.827","0.001","90","","12154","0.3","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin 1-undecanol hydrate","","","- C80.75 H175.5 O82.25 -","- C80.8 H174.45 O81.8 -","- C323.2 H697.8 O327.2 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S0108768113001778","","neutron","1.4616","neutron","","0.1486","0.1237","","","0.2876","0.3089","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105444","28.725","0.003","27.195","0.003","15.838","0.002","90","","95.92","0.01","90","","12306","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin undecanol complex (water solvate)","","","- C79.46 H120.12 O73.55 -","- C79.678 H121.054 O74.048 -","- C318.712 H484.216 O296.192 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S0108768113001778","","","0.9726","synchrotron","","0.0803","0.0794","","","0.2237","0.2264","","","","","","1.237","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105445","28.712","0.003","27.267","0.003","15.79","0.002","90","","95.4","0.01","90","","12307","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin n-decanol hydrate","","","- C78.5 H86.4 O73.2 -","- C78.53 H86.407 O73.153 -","- C314.12 H345.628 O292.612 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S0108768113001778","","","0.9726","synchrotron","","0.089","0.0889","","","0.2574","0.2581","","","","","","1.463","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105942","28.7452","0.0004","27.0276","0.0004","15.7252","0.0001","90","","95.827","0.001","90","","12154","0.3","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin 1-undecanol hydrate","","","- C80.75 H175.5 O82.25 -","- C80.8 H174.45 O81.8 -","- C323.2 H697.8 O327.2 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S2052519213001772","","","1.4616","neutron","","0.1486","0.1237","","","0.2876","0.3089","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105943","28.725","0.003","27.195","0.003","15.838","0.002","90","","95.92","0.01","90","","12306","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin undecanol complex (water solvate)","","","- C79.46 H120.12 O73.55 -","- C79.678 H121.054 O74.048 -","- C318.712 H484.216 O296.192 -","4","1","","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S2052519213001772","","","0.9726","synchrotron","","0.0803","0.0794","","","0.2237","0.2264","","","","","","1.237","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105944","28.712","0.003","27.267","0.003","15.79","0.002","90","","95.4","0.01","90","","12307","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin n-decanol hydrate","","","- C78.5 H86.4 O73.2 -","- C78.53 H86.407 O73.153 -","- C314.12 H345.628 O292.612 -","4","1","","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S2052519213001772","","","0.9726","synchrotron","","0.089","0.0889","","","0.2574","0.2581","","","","","","1.463","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2106187","10.871","","7.254","","6.14","","90","","91.88","","90","","483.929","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Cr (P S4)","","- Cr P S4 -","- Cr P S4 -","- Cr4 P4 S16 -","4","1","","Diehl, R.; Carpentier, C.D.","The crystal structure of chromium thiophosphate, Cr P S4","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1399","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106272","17.38","","6.394","","7.534","","90","","92.8","","90","","836.237","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Li Ga O2 (H2 O)6","","- Ga H12 Li O8 -","- Ga Li O8 -","- Ga4 Li4 O32 -","4","1","","Caranoni, C.; Capella, L.; Pepe, G.","Structure cristalline du gallate de lithium hexahydrate, Li Ga O2 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1978","34","","741","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106539","6.872","","4.009","","9.69","","90","","90.16","","90","","266.957","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi2 U O6","","- Bi2 O6 U -","- Bi2 O6 U -","- Bi4 O12 U2 -","2","0.5","","Koster, A.S.; Renaud, J.P.P.; Rieck, G.D.","The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","127","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106777","21.658","0.004","5.6648","0.0009","15.092","0.003","90","","119.433","0.011","90","","1612.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Bi-sulfate","","- Bi14 O36 S5 -","- Bi14 O34 S5 -","- Bi28 O68 S10 -","2","0.5","DK5037","Pinto, Daniela; Garavelli, Anna; Bindi, Luca","Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~","Acta Crystallographica Section B","2015","71","5","","","10.1107/S205252061501358X","","","0.71073","MoKα","","0.1557","0.1241","","","0.311","0.3419","","","","","","1.187","","","","has coordinates,has Fobs","201369","2020-10-21","18:00:00",""
"2108128","16.1449","0.0007","7.8881","0.0003","11.4702","0.0005","90","","128.842","0.004","90","","1137.75","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H29 Br2 Ca O15 -","- C12 H29 Br2 Ca O15 -","- C24 H58 Br4 Ca2 O30 -","2","0.5","AO5028","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola","Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study","Acta Crystallographica Section B","2017","73","4","737","743","10.1107/S2052520617005285","","","0.71073","MoKα","","0.0406","0.0335","","","0.0716","0.076","","","","","","1.049","","","","has coordinates,has Fobs","199399","2020-10-21","18:00:00",""
"2108129","16.439","0.0012","8.024","0.0005","11.1931","0.0008","90","","128.142","0.007","90","","1161.2","0.18","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H29 Br2 O15 Sr -","- C12 H29 Br2 O15 Sr -","- C24 H58 Br4 O30 Sr2 -","2","0.5","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola","Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study","Acta Crystallographica Section B","2017","73","4","737","743","10.1107/S2052520617005285","","","0.71073","MoKα","","0.0781","0.0497","","","0.0805","0.0961","","","","","","1.002","","","","has coordinates,has Fobs","199399","2020-10-21","18:00:00",""
"2108370","21.2256","0.0007","5.67647","0.00016","32.0621","0.0007","90","","100.17","0.003","90","","3802.35","0.19","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","XK5052","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0683","0.0425","","","0.0901","0.0993","","","","","","0.983","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108371","21.2633","0.0008","5.67322","0.00019","32.053","0.0008","90","","100.076","0.003","90","","3807","0.2","125","2","125","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0844","0.0465","","","0.0938","0.1072","","","","","","0.986","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108372","21.33","0.0007","5.67423","0.00016","32.0776","0.0007","90","","99.937","0.003","90","","3824.15","0.19","150","2","150","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0784","0.0455","","","0.0971","0.1118","","","","","","0.985","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108373","21.3889","0.0008","5.67352","0.00019","32.0754","0.0008","90","","99.818","0.003","90","","3835.4","0.2","175","2","175","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.09","0.0497","","","0.1067","0.1325","","","","","","1.044","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108374","21.4563","0.0009","5.67251","0.00019","32.0779","0.0008","90","","99.653","0.003","90","","3849","0.2","200","2","200","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0927","0.05","","","0.1077","0.1355","","","","","","1.043","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108375","21.5229","0.0009","5.6692","0.0002","32.0754","0.0009","90","","99.486","0.004","90","","3860.2","0.2","225","2","225","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.1004","0.0512","","","0.1092","0.1425","","","","","","1.069","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108376","21.6021","0.0009","5.6701","0.0002","32.0856","0.0009","90","","99.299","0.004","90","","3878.4","0.2","250","2","250","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.1031","0.0526","","","0.115","0.1505","","","","","","1.052","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108377","21.6777","0.0009","5.665","0.00018","32.0878","0.0008","90","","99.115","0.003","90","","3890.8","0.2","275","2","275","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.1053","0.0512","","","0.112","0.1448","","","","","","1.05","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108378","21.7528","0.0011","5.6663","0.0002","32.0956","0.001","90","","98.955","0.004","90","","3907.8","0.3","293","2","293","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0992","0.0518","","","0.1149","0.1406","","","","","","1.028","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108383","23.2416","0.0014","5.2305","0.0003","25.4061","0.0014","90","","102.634","0.005","90","","3013.7","0.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H12 O9.5 -","- C15 H12 O9.5 -","- C120 H96 O76 -","8","2","","Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B.","Taxifolin tubes: crystal engineering and characteristics","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000969","","","0.71073","MoKα","","0.1305","0.0705","","","0.1635","0.1903","","","","","","1.053","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108385","23.479","0.006","8.602","0.002","16.899","0.004","90","","129.963","0.005","90","","2615.9","1.1","273","","273","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H26 N4 O4 -","- C26 H26 N4 O4 -","- C104 H104 N16 O16 -","4","1","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","0.71073","MoKα","","0.0953","0.0596","","","0.1518","0.1742","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","214247","2020-10-21","18:00:00",""
"2108386","22.9673","0.0011","8.8676","0.0004","16.7749","0.0008","90","","118.613","0.002","90","","2999.2","0.3","273","2","273","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H34 N4 O6 -","- C30 H34 N4 O6 -","- C120 H136 N16 O24 -","4","1","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","0.71076","MoKα","","0.0602","0.0516","","","0.1426","0.1518","","","","","","1.06","","","","has coordinates,has Fobs","214247","2020-10-21","18:00:00",""
"2108489","16.8913","0.0004","5.6406","0.0001","8.3591","0.0003","90","","93.919","0.003","90","","794.57","0.04","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Ca Cu6 O18 P4 Rb2 -","- Ca Cu6 O18 P4 Rb2 -","- Ca2 Cu12 O36 P8 Rb4 -","2","0.5","RA5054","Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N.","Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619008527","","x-ray","0.71069","MoKα","","0.0764","0.0502","","","0.0452","0.05","","","","1","1","0.97","","","","has coordinates,has Fobs","218857","2020-10-21","18:00:00",""
"2108656","15.366","0.002","16.035","0.002","14.327","0.001","90","","91.21","0.01","90","","3529.3","0.7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C29 H20 Br3 Mn O4 P2 S -","- C29 H20 Br3 Mn O4 P2 S -","- C116 H80 Br12 Mn4 O16 P8 S4 -","4","1","","Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier","The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009889","","x-ray","0.71073","MoKα","","0.084","0.0463","","","0.1149","0.1266","","","","","","0.992","","","","has coordinates,has Fobs","255736","2020-10-21","18:00:00",""
"2108762","12.5887","0.0007","6.9","0.0002","18.2523","0.0007","90","","107.227","0.005","90","","1514.31","0.12","100","0.11","100","","","","","","","","","3","C 1 2 1","C 2y","5","myo-inositol-2,3-D-camphor ketal","","","- C16 H26 O6 -","- C16 H26 O6 -","- C64 H104 O24 -","4","1","DQ5049","Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold","The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620015929","","x-ray","1.54184","CuKα","","0.0535","0.0444","","","0.1383","0.1429","","","","2.56","2.56","2.09","","","","has coordinates","261218","2021-01-26","05:43:17",""
"2108984","12.05","0.008","8.11","0.003","31.47","0.018","90","","92.48","0.03","90","","3073","3","100","2","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C68 H67 N4 O18 Zn2 -","- C68 H67 N4 O18 Zn2 -","- C136 H134 N8 O36 Zn4 -","2","0.5","LO5107","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","","0.82612","synchrotron","","0.1011","0.0912","","","0.2343","0.2468","","","","","","1.068","","","","has coordinates,has Fobs","275739","2022-06-02","02:16:27",""
"2200023","20.281","0.003","8.925","0.002","6.053","0.001","90","","93.112","0.012","90","","1094","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","oxazolidine disulfide","R,R-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide","","- C22 H28 N2 O2 S2 -","- C22 H28 N2 O2 S2 -","- C44 H56 N4 O4 S4 -","2","0.5","CF6006","Schulz Lang, Ernesto; Burrow, Robert A.; Braga, Antonio Luiz; Appelt, Helmoz Roseniaim; Schneider, Paulo Henrique; Silveira, Claudio Cruz; Wessjohann, Ludger A.","<i>R</i>,<i>R</i>-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide","Acta Crystallographica Section E","2001","57","1","o41","o42","10.1107/S160053680001878X","","","0.71073","MoKα","","0.066","0.034","","","","0.087","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200170","30.285","0.008","5.3022","0.0013","22.317","0.006","90","","102.263","0.004","90","","3501.8","1.6","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phenylalanine nitrate (4/1)","","- C9 H11.25 N1.25 O2.75 -","- C9 H11.25 N1.25 O2.75 -","- C144 H180 N20 O44 -","16","4","NA6033","Görbitz, Carl Henrik","<small>L</small>-Phenylalanine nitrate (4/1)","Acta Crystallographica Section E","2001","57","2","o192","o194","10.1107/S1600536801000575","","","0.71073","MoKα","","0.134","0.113","","","","0.269","","","","","","1.629","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200352","29.037","0.013","9.072","0.006","12.628","0.006","90","","109.14","0.07","90","","3143","3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Cholesteryl Trichloroacetimidate","","","- C31.5 H51 Cl3 N O1.5 -","- C31.5 H51 Cl3 N O1.5 -","- C126 H204 Cl12 N4 O6 -","4","1","TK6022","Simon Fielder; Daryl D. Rowan; Michael S. Sherburn; Anthony K. Burrell","1-(Cholest-4-en-3β-yl)-2,2,2-trichloroethanimidate <i>tert</i>-butyl methyl ether hemisolvate","Acta Crystallographica Section E","2001","57","6","o533","o534","10.1107/S160053680100825X","","","0.71073","MoKα","","0.086","0.078","","","","0.221","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200500","23.096","0.004","6.281","0.009","11.648","0.001","90","","116.122","0.009","90","","1517","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Bis(L-threoninium)sulfate monohydrate","Bis(L-threoninium) sulfate monohydrate","","- C8 H22 N2 O11 S -","- C8 H22 N2 O11 S -","- C32 H88 N8 O44 S4 -","4","1","OB6047","Sridhar, B.; Srinivasan, N.; Rajaram, R. K.","Bis(<small>L</small>-threoninium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","7","o581","o583","10.1107/S1600536801008960","","","0.71073","MoKα","","0.0336","0.0322","","","","0.0936","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200546","29.332","0.003","3.8551","0.0002","11.0753","0.0011","90","","99.341","0.003","90","","1235.76","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-(2-pyridyl)-4-methylcarboxyquinoline","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","WN6025","Farah, Abdiaziz A.; Pietro, William J.","Methyl 2-(2-pyridyl)quinoline-4-carboxylate","Acta Crystallographica Section E","2001","57","8","o677","o678","10.1107/S1600536801010595","","","0.71073","MoKα","","0.0494","0.0407","","","","0.1067","","","","","","0.887","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200749","17.8678","0.0017","6.7905","0.0018","16.382","0.002","90","","120.114","0.01","90","","1719.4","0.6","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","Denudatin A","(2S,3R,3aR)-2-(1,3-benzodioxol-5-yl)-3,3a-dihydro-3a-methoxy-3- methyl-5-(2-propenyl)-6(2H)-benzofuranone","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","OM6065","Song, Qi; Fronczek, Frank R.; Fischer, Nikolaus H.","Denudatin <i>A</i>, a neolignan from <i>Magnolia soulangiana</i>","Acta Crystallographica Section E","2001","57","11","o1105","o1106","10.1107/S1600536801017779","","","0.71073","MoKα","","0.108","0.061","","","","0.166","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200874","12.5758","0.0003","12.2526","0.0002","11.6563","0.0003","90","","101.14","0.001","90","","1762.23","0.07","95","2","95","2","","","","","","","","6","C 1 2 1","C 2y","5","","Aquabis(2,4'-bipyridine)di(o-sulfobenzimidato)copper(II)","","- C34 H26 Cu N6 O7 S2 -","- C34 H26 Cu N6 O7 S2 -","- C68 H52 Cu2 N12 O14 S4 -","2","0.5","CI6083","Naumov, Panče; Jovanovski, Gligor; Ng, Seik Weng","Aquabis(2,4'-bipyridine)di(<i>o</i>-sulfobenzimidato)copper(II) at 95K","Acta Crystallographica Section E","2002","58","1","m16","m17","10.1107/S1600536801020657","","","0.71073","MoKα","","0.078","0.048","","","0.094","0.104","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200903","10.147","0.002","10.938","0.002","17.681","0.003","90","0.003","92.65","0.03","90","0.03","1960.3","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","DN6012","Garzino, Frédéric; Méou, Alain; Brun, Pierre; Pèpe, Gérard","(1<i>S</i>,2<i>R</i>)-<i>N</i>-[(<i>E</i>)-4-Methoxycinnamoyl]-10,2-camphorsultam","Acta Crystallographica Section E","2002","58","3","o308","o309","10.1107/S160053680200096X","","","0.71069","MoKα","","0.046","0.0403","","","0.0992","0.1027","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200954","24.767","0.003","6.2051","0.001","14.1446","0.0015","90","","119.55","0.05","90","","1891","1","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C80 H144 O12 -","4","1","OB6108","Kooijman, Huub; Spek, Anthony L.","(1<i>S</i>,3<i>R</i>,4<i>R</i>,4a<i>S</i>,8a<i>S</i>)-4-[(3<i>S</i>)-3-Hydroxy-3-methyl-4-pentenyl]-3,4a,8,8-tetramethyldecahydro-1,3-naphthalenediol","Acta Crystallographica Section E","2002","58","2","o172","o174","10.1107/S1600536802000727","","","0.71073","MoKα","","0.0564","0.0546","","","0.1066","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200960","38.354","0.001","11","0.001","22.689","0.001","90","","123.15","0.01","90","","8014.4","1.2","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","boc-Metkephamid-OMe","","- C35 H51 N5 O10.125 S -","- C35 H51 N5 O10.125 S -","- C280 H408 N40 O81 S8 -","8","2","OM6072","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Brine, George A.; Hayes, James P.; George, Clifford","Boc-tyrosyl-<small>D</small>-alanyl-glycyl-<i>N</i>-methyl-phenylalanyl-<i>O</i>-methyl-methionine hydrate: a protected analog of metkephamid","Acta Crystallographica Section E","2002","58","1","o13","o15","10.1107/S1600536801020475","","","1.54178","CuKα","","0.0538","0.0431","","","0.1041","0.1117","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201005","24.244","0.008","6.8638","0.0003","10.415","0.003","90","","110.54","0.01","90","","1622.9","0.7","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","Pyridinium D(+)-10-camphorsulfonate hemihydrate","","- C15 H22 N O4.5 S -","- C15 H22 N O4.5 S -","- C60 H88 N4 O18 S4 -","4","1","YA6085","Fleischer, Holger; Schollmeyer, Dieter","Pyridinium <small>D</small>(+)-10-camphorsulfonate hemihydrate","Acta Crystallographica Section E","2002","58","2","o209","o210","10.1107/S1600536802001150","","","1.54178","CuKα","","0.059","0.051","","","0.14","0.149","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201540","19.551","0.003","12.1135","0.0019","18.41","0.003","90","","119.529","0.003","90","","3793.7","1","294","2","294","2","","","","","","","","7","C 1 2 1","C 2y","5","","A Cationic Palladium (R)-2,2',6,6'-Tetramethoxy-4,4'-Bis(diphenylphosphino)- 3,3'-Bipyridine Complex","","- C38 H34 Cl2 N2 O4 P2 Pd -","- C38 H34 Cl2 N2 O4 P2 Pd -","- C152 H136 Cl8 N8 O16 P8 Pd4 -","4","1","OB6134","Wang, Lailai; Kwok, Waihim; Zhou, Zhongyuan","[(<i>R</i>)-4,4'-Bis(diphenylphosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine-κ^2^<i>P,P</i>']dichloropalladium(II)","Acta Crystallographica Section E","2002","58","7","m322","m323","10.1107/S1600536802009558","","","0.71073","MoKα","","0.1114","0.0681","","","0.1413","0.1554","","","","","","1.133","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201586","13.3931","0.0008","16.2214","0.0012","8.3414","0.0006","90","","122.013","0.003","90","","1536.62","0.19","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","Magnesium acetate ethanol solvate","Poly[hexakis-acetato bis-ethanol trismagnesium(II)] ethanol solvate","","- C20 H42 Mg3 O8 -","- C20 H42 Mg3 O16 -","- C40 H84 Mg6 O32 -","2","0.5","OB6182","Hector, Andrew L.; Mayer, Thomas A.","Poly[[hexaacetatodiethanoltrimagnesium(II)] diethanol solvate], a polymeric acetate-bridged magnesium chain structure","Acta Crystallographica Section E","2002","58","11","m628","m630","10.1107/S1600536802018378","","","0.71073","MoKα","","","0.0361","","","","0.0924","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202007","22.6091","0.0007","5.3506","0.0002","11.0871","0.0004","90","","117.328","0.001","90","","1191.54","0.07","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Phyllanthin from the plant phyllanthus amarus","","- C24 H34 O6 -","- C24 H34 O6 -","- C48 H68 O12 -","2","0.5","LH6023","V. Rajakannan; M. S. Sripathi; S. Selvanayagam; D. Velmurugan; Uma. D. Murthy; M. Vishwas; S. P. Thyagarajan; S. Shanmuga Sundara Raj; Hoong-Kun Fun","Phyllanthin from the plant <i>Phyllanthus amarus</i>","Acta Crystallographica Section E","2003","59","2","o203","o205","10.1107/S1600536803001119","","","0.71073","MoKα","","0.0818","0.0656","","","0.171","0.1814","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202009","12.0144","0.0004","7.275","0.0004","30.364","0.002","90","","99.565","0.002","90","","2617.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","methyl katononate","3-oxo-olean-12-en-20-alpha-methylcarboxylate","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","LH6025","Doriguetto, Antonio C.; Duarte, Lucienir P.; Ellena, Javier A.; Silva, Grácia D. F.; Mascarenhas, Yvonne P.; Cota, André B.","3-Oxoolean-12-en-20-yl α-methylcarboxylate","Acta Crystallographica Section E","2003","59","2","o164","o166","10.1107/S1600536803000965","","","0.7107","MoKα","","","0.055","","","","0.159","","","","","","1.092","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202177","19.96","0.003","6.625","0.002","15.53","0.002","90","","106.68","0.01","90","","1967.2","0.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H54 N4 O10 -","- C42 H54 N4 O10 -","- C84 H108 N8 O20 -","2","0.5","TK6089","Zhang, Hui; Lin, Zhong-Yu; Zhou, Zhao-Hui; Ng, Seik Weng","Bis(cinchonidinium) <small>L</small>-tartrate dihydrate","Acta Crystallographica Section E","2003","59","2","o183","o185","10.1107/S1600536803000850","","","0.71073","MoKα","","0.059","0.045","","","0.119","0.13","","","","","","1.11","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202208","12.2484","0.0001","12.6553","0.0001","11.5031","0.0009","90","","102.407","0.005","90","","1741.42","0.14","123.1","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H26 S2 -","- C48 H26 S2 -","- C96 H52 S4 -","2","0.5","WN6142","Löhr, Sandra; Yonemura, Makiko; Orita, Akihiro; Imai, Nobuyuki; Akashi, Haruo; Junzo Otera","(<i>R</i>)-2,2'-Bis{[5-(2-phenylethynyl)thienyl]ethynyl}-1,1'-binaphthyl","Acta Crystallographica Section E","2003","59","5","o594","o595","10.1107/S1600536803007116","","","0.7107","MoKα","","","0.03","","","","0.094","","","","","","1.179","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202256","29.005","0.002","8.543","0.0006","9.3081","0.0007","90","","96.163","0.001","90","","2293.1","0.3","168","2","168","2","","","","","","","","4","C 1 2 1","C 2y","5","Mersinine A","(5R,5aR,7aR,11aR,13aR)-5,5a,6,7,12,13-Hexahydro-5-hydroxy-4H,10H-1,3,- benzodioxolo[4,5-κ]pyrrolo[3,2,1-mn][1,8]phenanthroline-4,5,7a(10aH)- tricarboxylic acid trimethyl ester","","- C25 H28 N2 O9 -","- C25 H28 N2 O9 -","- C100 H112 N8 O36 -","4","1","YA6154","Subramaniam, G.; Kam, Toh Seok; Ng, Seik Weng","Mersinine A from <i>Kopsia fruticosa</i>","Acta Crystallographica Section E","2003","59","4","o555","o557","10.1107/S1600536803006470","","","0.71073","MoKα","","0.041","0.033","","","0.081","0.084","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202387","19.972","0.003","6.509","0.003","15.472","0.003","90","","106.874","0.013","90","","1924.7","1","122","2","122","2","","","","","","","","4","C 1 2 1","C 2y","5","Cinchonidinium (R,R)-tartrate","Cinchonidinium (R,R)-tartrate monohydrate","","- C42 H54 N4 O10 -","- C42 H54 N4 O10 -","- C84 H108 N8 O20 -","2","0.5","BT6357","Ryttersgaard, Carsten; Larsen, Sine","Cinchonidinium (<i>R,R</i>)-tartrate monohydrate","Acta Crystallographica Section E","2003","59","11","o1715","o1716","10.1107/S1600536803022438","","","1.5418","CuKα","","0.0298","0.0289","","0.0746","0.0736","","","","1.066","","","1.066","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2202424","35.327","0.005","5.618","0.001","6.682","0.001","90","","101.554","0.005","90","","1299.3","0.4","120","2","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H10 O6 -","- C15 H10 O6 -","- C60 H40 O24 -","4","1","CF6263","Philip J. Cox; Yashodharan Kumarasamy; Lutfun Nahar; Satyajit D. Sarker; Mohammad Shoeb","Luteolin","Acta Crystallographica Section E","2003","59","7","o975","o977","10.1107/S1600536803013229","","","0.71073","MoKα","","","0.0925","","","","0.1896","","","","","","1.178","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202459","19.675","0.003","6.115","0.001","26.584","0.002","90","","109.6","0.1","90","","3013","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","phenylalaninium trichloroacetate","L-Phenylalaninium trichloroacetate","","- C22 H26 Cl6 N2 O9 -","- C22 H26 Cl6 N2 O9 -","- C88 H104 Cl24 N8 O36 -","4","1","CI6224","K. Rajagopal; R. V. Krishnakumar; M. Subha Nandhini; T. S. Cameron; S. Natarajan","<small>L</small>-Phenylalaninium trichloroacetate hemihydrate","Acta Crystallographica Section E","2003","59","7","o1084","o1086","10.1107/S1600536803013916","","","0.71069","MoKα","","0.1094","0.0379","","","0.0934","0.1165","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202512","26.99","0.02","9.862","0.009","19.276","0.017","90","","133.473","0.01","90","","3723","6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis{2-[(cyclopropylimino)methyl]phenolato}zinc(II)","","- C20 H20 N2 O2 Zn -","- C20 H20 N2 O2 Zn -","- C160 H160 N16 O16 Zn8 -","8","2","CI6282","You, Zhong-Lu; Lin, Yong-Shan; Liu, Wei-Sheng; Tan, Min-Yu; Zhu, Hai-Liang","Bis[2-(cyclopropyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2003","59","11","m1025","m1027","10.1107/S1600536803023109","","","0.71073","MoKα","","0.0985","0.055","","","0.1292","0.159","","","","","","0.883","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202518","12.34","0.002","6.8289","0.0013","21.71","0.004","90","","100.037","0.004","90","","1801.5","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","17-Ethynyl-3,17α-dimethyoxy-5β-estra-1,3,5(10)-triene","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","CI6288","Choudhary, M. Iqbal; Musharraf, Syed Ghulam; Anjum, Shazia; Rahman, Azhar Abul; Fun, Hoong-Kun; Atta-ur-Rahman","17-Ethynyl-3,17α-dimethoxy-5β-estra-1,3,5(10)-triene","Acta Crystallographica Section E","2003","59","11","o1745","o1747","10.1107/S1600536803022955","","","0.71073","MoKα","","0.059","0.058","","","0.149","0.151","","","","","","1.195","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202561","8.8574","0.0008","10.595","0.001","8.0634","0.0005","90","","118.939","0.006","90","","662.22","0.1","300","2","300","2","","","","","","","","5","C 1 2 1","C 2y","5","","Dichloro[trans-(1R,2R)-N,N,N',N'-tetramethylcyclohexane-1,2-diamine]copper(II)","","- C10 H22 Cl2 Cu N2 -","- C10 H22 Cl2 Cu N2 -","- C20 H44 Cl4 Cu2 N4 -","2","0.5","CV6210","Svitlana V. Pavlova; Wen, Yuh-Sheng; Sunney I. Chan","Dichloro[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-<i>N,N,N</i>',<i>N</i>'-tetramethylcyclohexane-1,2-diamine]copper(II)","Acta Crystallographica Section E","2003","59","9","m792","m793","10.1107/S1600536803017264","","","0.71073","MoKα","","0.0497","0.0392","","","0.0956","0.1508","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202824","24.101","0.003","13.76","0.001","8.989","0.001","90","","100.87","0.01","90","","2927.5","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","{N,N'-Bis[3-methoxymethyl-5-methylsalicylidene]-(R,R)-1,2- diphenylenediamino}nickel(II)","6,6'-bis(methoxymethyl)-4,4'-dimethyl-2,2'-[1,2-diphenyl-1,2- ethanediylbis(nitrilomethylidyne)]diphenol","","- C34 H34 N2 Ni O4 -","- C34 H34 N2 Ni O4 -","- C136 H136 N8 Ni4 O16 -","4","1","OB6309","Jin-Cai Wu; Ning Tang; Kai-Bei Yu","{<i>N,N</i>'-Bis[3-methoxymethyl-5-methylsalicylidene]-(<i>R,R</i>)-1,2-diphenylenediamino}nickel(II)","Acta Crystallographica Section E","2003","59","11","m977","m979","10.1107/S1600536803021949","","","0.71073","MoKα","","0.0677","0.0432","","","0.0928","0.0999","","","","","","0.964","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202947","35.857","0.006","7.4806","0.0008","7.6783","0.0012","90","","93.192","0.018","90","","2056.4","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Histidinium hemihydrochloride tartrate tartaric acid dihydrate","","- C14 H25.5 Cl0.5 N3 O16 -","- C14 H25 Cl0.5 N3 O16 -","- C56 H100 Cl2 N12 O64 -","4","1","WN6166","K. Rajagopal; R. V. Krishnakumar; M. Subha Nandhini; S. Natarajan","<small>L</small>-Histidinium hemihydrochloride tartrate tartaric acid dihydrate","Acta Crystallographica Section E","2003","59","7","o955","o958","10.1107/S1600536803012686","","","1.5418","CuKα","","0.0391","0.0383","","","0.1079","0.1092","","","","","","0.948","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203040","20.352","0.003","6.607","0.0016","15.501","0.002","90","","105.58","0.012","90","","2007.8","0.6","122","2","122","2","","","","","","","","4","C 1 2 1","C 2y","5","Quininium (R,R)-tartrate hydrate","Quininium (R,R)-tartrate hydrate","","- C44 H56 N4 O11 -","- C44 H50 N4 O11 -","- C88 H100 N8 O22 -","2","0.5","BT6358","Ryttersgaard, Carsten; Larsen, Sine","Bis(quininium) (<i>R</i>,<i>R</i>)-tartrate monohydrate","Acta Crystallographica Section E","2004","60","1","o4","o5","10.1107/S1600536803026849","","","0.71073","MoKα","","0.0789","0.0567","","","0.1389","0.154","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203067","21.682","0.003","10.3815","0.0019","15.177","0.004","90","","120.03","0.03","90","","2957.6","1.4","293","2","","","","","","","","","","6","C 1 2 1","C 2y","5","","Tetra-μ-alpha-isoleucine-bis[tetraaquasamarium(III)] hexaperchlorate","","- C24 H68 Cl6 N4 O40 Sm2 -","- C24 H52 Cl5.998 N4 O39.992 Sm2 -","- C48 H104 Cl11.996 N8 O79.984 Sm4 -","2","0.5","HB6004","Jinping Wang; Chunji Niu; Ninghai Hu; Jiazuan Ni","Tetra-μ-<small>L</small>-isoleucine-bis[tetraaquasamarium(III)] hexaperchlorate","Acta Crystallographica Section E","2004","60","1","m32","m34","10.1107/S1600536803027557","","","0.71073","MoKα","","0.0571","0.052","","","0.1354","0.1392","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2203223","17.795","0.004","5.394","0.002","12.431","0.002","90","","100.65","0.01","90","","1172.7","0.5","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","OM6206","Zi-Qiang Hu; Duan-Jun Xu; Yuan-Zhi Xu","(<i>S</i>)-Alanine‒(<i>S</i>)-mandelic acid (1/1)","Acta Crystallographica Section E","2004","60","2","o269","o271","10.1107/S160053680400145X","","","0.71073","MoKα","","0.063","0.054","","","0.146","0.154","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203284","19.111","0.003","5.9619","0.0011","18.726","0.002","90","","119.337","0.012","90","","1860","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 3,4-di-O-pivaloyl-β-D-xylopyranoside","","- C16 H28 O7 -","- C16 H28 O7 -","- C64 H112 O28 -","4","1","CV6270","Prugovečki, Biserka; Matković-Čalogović, Dubravka; Petrović, Vesna; Tomić, Srđanka","Methyl 3,4-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section E","2004","60","3","o378","o380","10.1107/S1600536804002995","","","0.71073","MoKα","","0.0479","0.0427","","","0.1039","0.108","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203350","11.228","0.0011","7.222","0.0011","13.3393","0.0016","90","","97.8","0.01","90","","1071.7","0.2","296","1","296","1","","","","","","","","5","C 1 2 1","C 2y","5","(S)-(-)-α-Methylbenzylammonium tetrachloropalladate(II)","(S)-(-)-1-Phenylethylammonium tetrachloropalladate(II)","","- C16 H24 Cl4 N2 Pd -","- C16 H24 Cl4 N2 Pd -","- C32 H48 Cl8 N4 Pd2 -","2","0.5","SU6077","Cruz-Cruz, Sandra; Rodríguez-Pastrana, Modesto; Bernès, Sylvain; Gutiérrez-Pérez, René","Bis[(<i>S</i>)-(‒)-1-phenylethylammonium] tetrachloropalladate(II)","Acta Crystallographica Section E","2004","60","3","m342","m344","10.1107/S1600536804003411","","","0.71073","MoKα","","0.0287","0.0276","","","0.0731","0.0744","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203353","15.7515","0.0015","8.2452","0.0017","15.673","0.002","90","","110.153","0.009","90","","1910.9","0.5","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 N2 O6 S -","- C16 H22 N2 O6 S -","- C64 H88 N8 O24 S4 -","4","1","TK6153","Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy","<i>N</i>-Allyl-<i>N</i>-(2-nitrobenzenesulfonyl)-<small>L</small>-leucine methyl ester","Acta Crystallographica Section E","2004","60","3","o383","o385","10.1107/S1600536804003186","","","0.7107","MoKα","","0.075","0.04","","","0.104","0.12","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203395","34.243","0.002","5.3251","0.0004","18.1469","0.0012","90","","114.83","0.002","90","","3003.1","0.4","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H25.83 N2 O3.91 -","- C12 H25.826 N2 O3.913 -","- C96 H206.608 N16 O31.304 -","8","2","CF6339","Görbitz, Carl Henrik","Nanotubes of <small>L</small>-isoleucyl-<small>L</small>-leucine 0.91-hydrate","Acta Crystallographica Section E","2004","60","4","o626","o628","10.1107/S1600536804006427","","","0.71073","MoKα","","0.0476","0.0383","","","0.0897","0.095","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203400","22.56","0.008","5.4253","0.0019","15.057","0.005","90","","109.886","0.006","90","","1733","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","N-Amino-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)thiocarbamide","","- C12 H19 N3 O7 S -","- C12 H19 N3 O7 S -","- C48 H76 N12 O28 S4 -","4","1","CI6345","Bo Yang; Shu-Sheng Zhang; Yang-Fang Wang; Xue-Mei Li; Kui Jiao","<i>N</i>-Amino-<i>N</i>-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)thiocarbamide","Acta Crystallographica Section E","2004","60","4","o568","o570","10.1107/S1600536804005641","","","0.71073","MoKα","","0.0804","0.052","","","0.1056","0.1334","","","","","","1.119","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203465","21.8863","0.0016","5.1411","0.0004","15.5619","0.0012","90","","132.601","0.005","90","","1288.9","0.2","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","L-histidinium tetrafluorosuccinate","","- C10 H11 F4 N3 O6 -","- C10 H11 F4 N3 O6 -","- C40 H44 F16 N12 O24 -","4","1","NA6294","Akkurt, Mehmet; Öztürk, Sema; Ramajothi, Jayaraman; Büyükgüngör, Orhan; Dhanuskodi, Sivasubramanian","<small>L</small>-Histidinium tetrafluorosuccinate","Acta Crystallographica Section E","2004","60","4","o481","o483","10.1107/S1600536804004180","","","0.71073","MoKα","","0.0223","0.0215","","","0.0553","0.0557","","","","","","1.08","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203558","13.872","0.005","9.578","0.006","9.178","0.001","90","","125.35","0.014","90","","994.6","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","Bis(L-ornithinium) chloride nitrate sulfate","Bis(L-ornithinium) chlorid nitrate sulfate","","- C10 H28 Cl N5 O11 S -","- C10 H28 Cl N5 O11 S -","- C20 H56 Cl2 N10 O22 S2 -","2","0.5","CI6349","S. Ramaswamy; B. Sridhar; V. Ramakrishnan; R. K. Rajaram","Bis(<small>L</small>-ornithinium) chloride nitrate sulfate","Acta Crystallographica Section E","2004","60","5","o768","o770","10.1107/S1600536804007238","","","0.71073","MoKα","","0.0514","0.0383","","","0.0855","0.097","","","","","","1.182","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203614","24.189","0.007","7.747","0.002","13.31","0.004","90","","120.943","0.005","90","","2139.2","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Talatisidine","20-N-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C92 H148 N4 O20 -","4","1","LH6183","Shaheen, Farzana; Ahmad, Manzoor; Anjum, Shazia; Rahman, Azhar Abdul; Fun, Hoong-Kun; Ahmad, Habib; Choudhary, M. Iqbal; Atta-ur-Rahman","20-<i>N</i>-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine","Acta Crystallographica Section E","2004","60","5","o774","o776","10.1107/S1600536804008189","","","0.71073","MoKα","","0.0652","0.063","","","0.1302","0.1311","","","","","","1.281","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203791","14.891","0.003","13.416","0.003","15.936","0.003","90","","91.781","0.016","90","","3182.1","1.1","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H9 Cl9 -","- C10 H9 Cl9 -","- C80 H72 Cl72 -","8","2","NA6328","Hansen, Lars Kr.; Kallenborn, Roland; Kiprianova, Anastasia; Nikiforov, Vladimir; Trukhin, Alexey","An enantiomerically pure potential toxaphene congener: (1<i>R</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,7<i>S</i>)-2-<i>endo</i>,3-<i>exo</i>,5,5-tetrachloro-7-(chloromethyl)-1,7-bis(dichloromethyl)bicyclo[2.2.1]heptane","Acta Crystallographica Section E","2004","60","6","o1089","o1091","10.1107/S1600536804012437","","","0.71069","MoKα","","0.0319","0.0252","","","0.0632","0.0654","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204077","10.5362","0.0006","6.5254","0.0002","10.6656","0.0004","90","","97.79","0.001","90","","726.52","0.05","296","1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H18 O -","- C19 H18 O -","- C38 H36 O2 -","2","0.5","OB6395","Xiu-Rong Hu; Jian-Ming Gu; Wei-Ming Xu","2,4-Dimethyl-1,5-diphenylpenta-1,4-dien-3-one","Acta Crystallographica Section E","2004","60","8","o1437","o1438","10.1107/S1600536804018021","","","0.7107","MoKα","","","0.034","","","","0.099","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204159","15.6359","0.0017","12.1299","0.0017","11.5236","0.0014","90","","104.111","0.003","90","","2119.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(1R*,4R*,5S*,12S*,13R*)-9-Acetoxycembra-8(E),15(17)-dien-16,4-olide monohydrate","","- C20 H34 O6 -","- C20 H34 O6 -","- C80 H136 O24 -","4","1","CV6356","Cui-Xian Zhang; Cheng-Zhu Liao; Wei-Gang Lu; Long-Mei Zeng","(1<i>R</i>*,4<i>R</i>*,5<i>S</i>*,12<i>S</i>*,13<i>R</i>*)-9-Acetoxycembra-8(<i>E</i>),15(17)-dien-16,4-olide monohydrate","Acta Crystallographica Section E","2004","60","9","o1598","o1600","10.1107/S1600536804020392","","","0.71073","MoKα","","0.0483","0.0393","","","0.1014","0.1109","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204258","12.566","0.014","10.235","0.011","4.279","0.004","90","","104.92","0.04","90","","531.8","1","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H8 Ag Cl N2 -","- C12 H8 Ag Cl N2 -","- C24 H16 Ag2 Cl2 N4 -","2","0.5","AC6117","Odoko, Mamiko; Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N,N</i>')silver(I)]-μ-chloro]","Acta Crystallographica Section E","2004","60","10","m1522","m1524","10.1107/S1600536804023724","","","0.7107","MoKα","","","0.036","","","","0.066","","","","","","0.887","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204457","15.597","0.009","5.509","0.004","12.648","0.007","90","","95.06","0.02","90","","1082.5","1.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Diaquabis(3-hydroxynaphthalene-2-carboxylato-κO)zinc(II)","","- C22 H18 O8 Zn -","- C22 H18 O8 Zn -","- C44 H36 O16 Zn2 -","2","0.5","CI6447","Deng, Bing; Liu, Zhao-Di; Liu, Xiu-Ying; Tan, Min-Yu; Zhu, Hai-Liang","Diaquabis(3-hydroxynaphthalene-2-carboxylato-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2004","60","11","m1568","m1569","10.1107/S1600536804023669","","","0.71073","MoKα","","0.084","0.0569","","","0.1399","0.1577","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204513","34.738","0.004","7.45","0.002","12.929","0.004","90","","106.23","0.02","90","","3212.7","1.4","295","2","275","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H74 Co2 N8 O25 -","- C60 H72 Co2 N8 O25 -","- C120 H144 Co4 N16 O50 -","2","0.5","HB6203","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[1,3-phenylenedi(oxyacetato)-κ<i>O</i>]cobalt(II)] 4,4'-bipyridine heptahydrate","Acta Crystallographica Section E","2004","60","11","m1590","m1592","10.1107/S1600536804024535","","","0.71073","MoKα","","0.0367","0.0318","","","0.0759","0.0778","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204542","30.241","0.009","7.441","0.002","16.29","0.007","90","","100.103","0.012","90","","3609","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","arjunglucoside I","β-D-Glucopyranosyl 2α,3β,19α,23-tetrahydroxyolean-12-en-28-oate","","- C36.25 H60.75 Cl0.25 O12 -","- C36.25 H60.75 Cl0.25 O12 -","- C145 H243 Cl O48 -","4","1","LH6299","Parvez, Masood; Atta-ur-Rahman; Choudhary, Iqbal M.; Zareen, Seema; Akhtar, Nadeem M.; Shujaat, Shahida; Ngounou, F. N.","Arjunglucoside I chloromethane 0.25-solvate monohydrate","Acta Crystallographica Section E","2004","60","11","o2130","o2132","10.1107/S1600536804026546","","","0.71073","MoKα","","0.054","0.043","","","0.108","0.115","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204803","14.4124","0.0006","12.583","0.0006","17.9361","0.0008","90","","104.833","0.001","90","","3144.3","0.2","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","μ-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]","","- C68 H78 F4 O4 Sn2 -","- C68 H78 F4 O4 Sn2 -","- C136 H156 F8 O8 Sn4 -","2","0.5","TK6194","Tian, Lai-Jin; Sun, Yu-Xi; Ng, Seik Weng","μ-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]","Acta Crystallographica Section E","2004","60","12","m1752","m1753","10.1107/S1600536804027229","","","0.71073","MoKα","","0.032","0.028","","","0.065","0.068","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204901","22.565","0.007","9.393","0.003","21.052","0.007","90","","115.682","0.008","90","","4021","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione","","- C21 H29 Br O3 -","- C21 H29 Br O3 -","- C168 H232 Br8 O24 -","8","2","IS6018","Shi Wang; Yongli Wang; Qiang Nie; Aishuang Xiang; Lina Zhou","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione","Acta Crystallographica Section E","2005","61","1","o1","o2","10.1107/S1600536804031083","","","0.71073","MoKα","","0.0954","0.0426","","","0.0778","0.0933","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204978","8.601","0.0017","9.5176","0.0019","6.7287","0.0013","90","","98.17","0.03","90","","545.23","0.19","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Caesium vanadium diphosphorus heptasulfide","","- Cs P2 S7 V -","- Cs P2 S7 V -","- Cs2 P4 S14 V2 -","2","0.5","WM6043","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","CsVP~2~S~7~","Acta Crystallographica Section E","2005","61","1","i6","i8","10.1107/S1600536804031150","","","0.71073","MoKα","","0.0753","0.0456","","","0.0946","0.1001","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205213","13.4048","0.0011","6.1275","0.0004","30.239","0.002","90","","94.81","0.003","90","","2475","0.3","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","3β-Taraxerol","","- C30 H50 O -","- C30 H50 O -","- C120 H200 O4 -","4","1","BT6599","Kouam, Simeon F.; Flörke, Ulrich; Krohn, Karsten; Akhtar, M. Nadeem; Ngadjui, Bonaventure T.; Abegaz, Berhanu M.","3β-Taraxerol from <i>Bridelia micrantha</i>","Acta Crystallographica Section E","2005","61","3","o599","o600","10.1107/S1600536805003934","","","0.71073","MoKα","","0.0703","0.0519","","","0.1043","0.1097","","","","","","0.981","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205628","19.508","0.002","10.731","0.001","25.92","0.004","90","","108.666","0.002","90","","5140.7","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","16α,17-Epoxy-11α-(p-tolylsulfonyloxy)pregn-4-ene-3,20-dione","17-acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro-1H-20-oxacyclopropa[16,17]cyclopenta[a]phenanthren-11-yl toluene-4-sulfonate","","- C28 H34 O6 S -","- C28 H34 O6 S -","- C224 H272 O48 S8 -","8","2","WW6358","Nie, Qiang; Wang, Jingkang; Wang, Shi; Zhang, Meijing","16α,17-Epoxy-11α-(<i>p</i>-tolylsulfonyloxy)pregn-4-ene-3,20-dione","Acta Crystallographica Section E","2005","61","4","o912","o913","10.1107/S1600536805006835","","","0.71073","MoKα","","0.0906","0.0463","","","0.0923","0.1044","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205659","29.398","0.003","9.839","0.001","13.59","0.001","90","","108.189","0.006","90","","3734.4","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","bis(L-histidinato)cobalt(III)‒chloride‒nitrate‒water (1/0.4/0.6/2.5)","","- C12 H21 Cl0.4 Co N6.6 O8.3 -","- C12 H17.5 Cl0.4 Co N6.6 O8.3 -","- C96 H140 Cl3.2 Co8 N52.8 O66.4 -","8","2","BV6016","Leverett J. Zompa","<i>trans</i>-Imidazole isomer of the bis(<small>L</small>-histidinato)cobalt(III) complex","Acta Crystallographica Section E","2005","61","5","m849","m851","10.1107/S1600536805010123","","","0.71073","MoKα","","0.0444","0.0383","","","0.0979","0.1026","","","","","","1.081","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205731","19.1786","0.0009","7.7058","0.0003","14.0757","0.0007","90","","92.373","0.002","90","","2078.41","0.16","296.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H23 F O8 -","- C23 H23 F O8 -","- C92 H92 F4 O32 -","4","1","HG6158","Zhou, Feng-Yan; Jian, Shan-Zhong; He, Xue-Ying; Wang, Yan-Guang","(5<i>R</i>,5a<i>R</i>,8a<i>R</i>,9<i>S</i>)-5-(3,4-dihydroxy-5-methoxyphenyl)-9-fluoro-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>]-1,3-dioxol-6(5a<i>H</i>)-one acetone solvate","Acta Crystallographica Section E","2005","61","5","o1374","o1376","10.1107/S1600536805011189","","","0.7107","MoKα","","","0.047","","","","0.132","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205861","54.925","0.011","5.8189","0.0012","21.628","0.004","90","","98.14","0.03","90","","6843","2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","10-Methoxy-5H-dibenz[b,f]azepine","","- C15 H13 N O -","- C15 H13 N O -","- C360 H312 N24 O24 -","24","6","BH6006","Basavegowda Nagaraj; Hemmige S. Yathirajan; Daniel E. Lynch","10-Methoxy-5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepine","Acta Crystallographica Section E","2005","61","6","o1757","o1759","10.1107/S1600536805015059","","","0.71073","MoKα","","0.1101","0.0553","","","0.1242","0.1455","","","","","","1.182","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205973","18.856","0.004","9.311","0.0019","5.183","0.001","90","","101.04","0.03","90","","893.1","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate","(1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate","","- C16 H30 N2 O4 -","- C16 H30 N2 O4 -","- C32 H60 N4 O8 -","2","0.5","HG6193","Light, Mark E.; Andrea Ragusa; Jeremy D. Kilburn","(1<i>R</i>*,2<i>R</i>*)-Di-<i>tert</i>-butyl <i>N</i>,<i>N</i>'-(cyclohexane-1,2-diyl)dicarbamate","Acta Crystallographica Section E","2005","61","6","o1956","o1958","10.1107/S1600536805016715","","","0.71073","MoKα","","0.0413","0.0354","","","0.0758","0.0781","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206009","52.275","0.003","5.3605","0.0002","14.0209","0.0008","90","","104.952","0.002","90","","3795.9","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1R,2R)-N,N'-bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C160 H160 N32 O32 -","8","2","LH6422","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(1<i>R</i>,2<i>R</i>)-<i>N,N</i>'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2005","61","6","o1699","o1701","10.1107/S1600536805014248","","","0.71073","MoKα","","0.1205","0.0602","","","0.1051","0.1243","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206447","18.159","0.002","7.8122","0.0009","21.777","0.003","90","","106.724","0.002","90","","2958.7","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis(triphenylsilyl)selenide","","- C36 H30 Se Si2 -","- C36 H30 Se Si2 -","- C144 H120 Se4 Si8 -","4","1","HG6210","Medina, Iliana; Mague, Joel T.; Donahue, James P.; Fink, Mark J.","Bis(triphenylsilyl)selenide","Acta Crystallographica Section E","2005","61","8","o2687","o2688","10.1107/S1600536805023275","","","0.71073","MoKα","","0.027","0.0255","","","0.0592","0.0597","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206619","23.4583","0.0009","3.8928","0.0002","7.5495","0.0003","90","","108.376","0.002","90","","654.25","0.05","90","0.2","90","0.2","","","","","","","","4","C 1 2 1","C 2y","5","3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl","3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl","","- C12 H6 Br4 O2 -","- C12 H6 Br4 O2 -","- C24 H12 Br8 O4 -","2","0.5","AT6026","Lehmler, H.-J.; Parkin, S.","3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl","Acta Crystallographica Section E","2005","61","9","o2828","o2830","10.1107/S160053680502458X","","","0.71073","MoKα","","0.024","0.022","","","0.047","0.048","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207177","10.286","0.003","4.6163","0.0011","17.111","0.004","90","","104.995","0.004","90","","784.8","0.3","292","2","292","2","","","","","","","","4","C 1 2 1","C 2y","5","","5-Methyl L-glutamate","","- C6 H11 N O4 -","- C6 H11 N O4 -","- C24 H44 N4 O16 -","4","1","CI6645","Wu, Yong-Fei; Li, Fen-Fang; Jin, Long-Fei","5-Methyl <small>L</small>-glutamate","Acta Crystallographica Section E","2005","61","11","o3752","o3753","10.1107/S1600536805032952","","","0.71073","MoKα","","0.0567","0.0506","","","0.146","0.1598","","","","","","1.147","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207228","9.863","0.005","6.458","0.003","13.007","0.007","90","","111.199","0.008","90","","772.4","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Diaquabis(D-valinato-κ^2^N,O)nickel(II)","diaquabis(2-amino-3-methylbutyrato-κ^2^N,O)nickel(II)","","- C10 H24 N2 Ni O6 -","- C10 H24 N2 Ni O6 -","- C20 H48 N4 Ni2 O12 -","2","0.5","HB6267","Bian, He-Dong; Zhang, Xiu-Qing; Yang, Xiao-E; Yu, Qing; Liang, Hong","Diaquabis(<small>D</small>-valinato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","Acta Crystallographica Section E","2005","61","11","m2237","m2239","10.1107/S1600536805031405","","","0.71073","MoKα","","0.0646","0.0521","","","0.1173","0.1411","","","","","","1.104","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207449","7.5866","0.0002","8.5684","0.0002","8.8257","0.0002","90","","102.77","0.0015","90","","559.52","0.02","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","diaquabis(L-serinato)copper(II) decihydrate","","- C6 H16.2 Cu N2 O8.1 -","- C6 H16.2 Cu N2 O8.1 -","- C12 H32.4 Cu2 N4 O16.2 -","2","0.5","BT6774","Otavio Versiane; Judith Felcman; Jussara Lopes de Miranda; R. Alan Howie; Janet M. S. Skakle","Diaquabis(<small>L</small>-serinato)copper(II) 0.1-hydrate at 120K","Acta Crystallographica Section E","2005","61","12","m2517","m2519","10.1107/S1600536805035221","","","0.71073","MoKα","","0.0193","0.0192","","","0.0524","0.0525","","","","","","1.097","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207621","22.699","0.005","4.1854","0.0009","6.9782","0.0015","90","","100.415","0.018","90","","652","0.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 3-carboxy-2-hydroxypropanoate","","- C5 H8 O5 -","- C5 H8 O5 -","- C20 H32 O20 -","4","1","OM6268","He, Xiangjiu; Lobkovsky, Emil; Liu, Rui Hai","(<i>R</i>*)-Methyl 3-carboxy-2-hydroxypropanoate","Acta Crystallographica Section E","2005","61","12","o4104","o4106","10.1107/S1600536805036378","","","0.71073","MoKα","","0.0335","0.0312","","","0.0829","0.0844","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207714","18.668","0.0005","5.828","0.0002","6.3943","0.0002","90","","92.2219","0.0014","90","","695.16","0.04","120","","120","","","","","","","","","3","C 1 2 1","C 2y","5","","2-C-Methyl-D-lyxono-1,4-lactone","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","AT6059","Punzo, Francesco; Watkin, David J.; Hotchkiss, David; Fleet, George W. J.","2-<i>C</i>-Methyl-<small>D</small>-lyxono-1,4-lactone","Acta Crystallographica Section E","2006","62","1","o98","o100","10.1107/S1600536805040456","","","0.71073","MoKα","","0.0242","0.0239","","0.0614","0.0614","0.0614","","","","","","1.0372","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207732","13.6","0.003","8.3478","0.0017","17.032","0.003","90","","113.1","0.03","90","","1778.6","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(2,6-dimethylpyridinium) dichromate","","- C14 H20 Cr2 N2 O7 -","- C14 H20 Cr2 N2 O7 -","- C56 H80 Cr8 N8 O28 -","4","1","CF6477","Zhi-Min Jin; Xin-Ju Ma; Yong Zhang; Bing Tu; Mao-Lin Hu","Bis(2,6-dimethylpyridinium) dichromate","Acta Crystallographica Section E","2006","62","1","m106","m108","10.1107/S1600536805041309","","","0.71073","MoKα","","0.0473","0.0416","","","0.0979","0.1003","","","","","","1.104","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207742","13.314","0.002","5.151","0.001","23.585","0.003","90","","100.39","0.01","90","","1590.9","0.4","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","6,6a,11,14-Tetrahydro-8-hydroxy-9-methoxy-12H-benzo[a]- 1,3-benzodioxolo[4,5-g]quinolizine","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","CI6705","Wang, Xiao-Ling; Li, Zong-Xiao; Qin, Guo-Wei","Cheilanthifoline","Acta Crystallographica Section E","2006","62","1","o81","o82","10.1107/S1600536805039711","","","0.71073","MoKα","","0.0463","0.0358","","","0.0852","0.089","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207950","21.0316","0.0011","21.7686","0.0011","15.2669","0.0008","90","","131.391","0.001","90","","5243.7","0.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","Octakis(μ~3~-tert-butylthiolato)bis(tert-butylthiolato)hexakis(1- methylpyrrolidin-2-one)-μ~6~-sulfido-hexabarium(II)","","- C70 H144 Ba6 N6 O6 S11 -","- C70 H142 Ba6 N6 O6 S11 -","- C140 H284 Ba12 N12 O12 S22 -","2","0.5","AC6221","Butcher, Ray J.; Purdy, Andrew P.","Octakis(μ~3~-<i>tert</i>-butylthiolato)bis(<i>tert</i>-butylthiolato)hexakis(1-methylpyrrolidin-2-one)-μ~6~-sulfido-hexabarium(II)","Acta Crystallographica Section E","2006","62","2","m342","m344","10.1107/S1600536805042017","","","0.71073","MoKα","","0.0454","0.0357","","","0.0767","0.0818","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208023","7.5217","0.001","22.186","0.003","10.9869","0.0018","90","","98.356","0.012","90","","1814","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","bis(melaminium) L-tartrate 2.5-hydrate","","- C10 H23 N12 O8.5 -","- C10 H22 N12 O8.5 -","- C40 H88 N48 O34 -","4","1","CV6618","Udayalakshmi, K.; Thamotharan, S.; Ramamurthi, K.; Varghese, B.","Supramolecular architecture of bis(melaminium) <small>L</small>-tartrate 2.5-hydrate","Acta Crystallographica Section E","2006","62","2","o455","o457","10.1107/S1600536805042674","","","1.5418","CuKα","","0.0397","0.0378","","","0.1105","0.1124","","","","","","1.094","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208111","25.904","0.004","5.9781","0.0011","6.5805","0.0009","90","","100.724","0.017","90","","1001.2","0.3","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Prolinamidium hydrogensquarate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","KP6078","Tsonko Kolev; Denitsa Yancheva; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","<small>L</small>-Prolinamidium hydrogensquarate","Acta Crystallographica Section E","2006","62","2","o463","o465","10.1107/S1600536805043047","","","0.71073","MoKα","","0.0319","0.031","","","0.0825","0.0831","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208317","35.31","0.003","6.7996","0.0007","9.7193","0.0007","90","","102.893","0.004","90","","2274.7","0.3","296","1","296","1","","","","","","","","5","C 1 2 1","C 2y","5","","trans-Dichlorobis[(S)-(-)-1-(1-naphthyl)ethylamine]palladium(II)","","- C24 H26 Cl2 N2 Pd -","- C24 H26 Cl2 N2 Pd -","- C96 H104 Cl8 N8 Pd4 -","4","1","FL6203","Vázquez, Jaime; Bernès, Sylvain; Hernández, Guadalupe; Aguilar, Hilda; Gutiérrez, René","<i>trans</i>-Dichlorobis[(<i>S</i>)-(‒)-1-(1-naphthyl)ethylamine]palladium(II)","Acta Crystallographica Section E","2006","62","3","m502","m504","10.1107/S1600536805041164","","","0.71073","MoKα","","0.0286","0.0279","","","0.0739","0.0747","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208846","12.8348","0.0013","6.2254","0.0005","22.202","0.002","90","","98.493","0.005","90","","1754.5","0.3","100","0.1","273","2","","","","","","","","3","C 1 2 1","C 2y","5","ent-16β-17α-dihydroxykaurane","5,5,9-Trimethyl-14-hydroxy-14- hydroxymethyl-tetracyclo[11.2.1.0^1,10^.0^4,9^] hexadecane hemihydrate","","- C20 H35 O2.5 -","- C20 H35 O2.5 -","- C80 H140 O10 -","4","1","CV2017","Suchada Chantrapromma; Charoen Pakathirathien; Hoong-Kun Fun; Abdul Razak Ibrahim; Chatchanok Karalai","14-Hydroxy-14-hydroxymethyl-5,5,9-trimethyltetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecane hemihydrate","Acta Crystallographica Section E","2006","62","5","o1742","o1744","10.1107/S160053680601107X","","","0.71073","MoKα","","0.1056","0.0856","","","0.2268","0.2514","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208957","14.0617","0.0013","6.0363","0.0005","28.051","0.004","90","","102.4","0.02","90","","2325.4","0.5","193","2","193","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 12-benzoyldehydroabietate","","- C28 H34 O3 -","- C28 H34 O3 -","- C112 H136 O12 -","4","1","NC2005","Fang-Yao Li; Ying-Ming Pan; Heng-Shan Wang; Zhen-Feng Chen; Yong Zhang","Methyl 12-benzoyldehydroabietate","Acta Crystallographica Section E","2006","62","5","o1895","o1897","10.1107/S1600536806013067","","","0.7107","MoKα","","0.0474","0.0407","","","0.0843","0.0881","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209110","15.551","0.0016","6.9695","0.0014","25.22","0.002","90","","103.46","0.03","90","","2658.3","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-Acetyl-3,3-bis[3-(4-methylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-1H- indol-2(3H)-one","","- C30 H25 N5 O4 -","- C30 H25 N5 O4 -","- C120 H100 N20 O16 -","4","1","BT2086","Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian","1-Acetyl-3,3-bis[3-(4-methylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-1<i>H</i>-indol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2462","o2463","10.1107/S160053680601854X","","","0.71073","MoKα","","0.0647","0.0435","","","0.1096","0.1269","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209154","22.8485","0.0011","10.7287","0.0009","17.3888","0.0009","90","","130.093","0.001","90","","3260.9","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3S,4S,5S,10S,13R,14R,17R)-4α,14α-Dimethyl-3β-tosyl-5α-ergost-8- ene-7,11,24-trione","","- C36 H50 O6 S -","- C36 H50 O6 S -","- C144 H200 O24 S4 -","4","1","DN3006","Mazoir, Noureddine; Berraho, Moha; Fraisse, Bernard; Benharref, Ahmed; Bouhmaida, Nouzha","(3<i>S</i>,4<i>S</i>,5<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>,17<i>R</i>)-4α,14α-Dimethyl-3β-tosyl-5α-ergost-8-ene-7,11,24-trione at 100 K","Acta Crystallographica Section E","2006","62","6","o2153","o2155","10.1107/S1600536806015340","","","0.71073","MoKα","","0.0783","0.0588","","","0.1456","0.1569","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2209264","32.665","0.009","4.778","0.001","15.015","0.004","90","","113.19","0.02","90","","2154.1","1","299","2","299","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-4-[2-(3-Cyanobenzamido)-3-hydroxypropyl]phenyl 3-cyanobenzoate","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","1","NC2015","Umbreen, Sumaira; Foro, Sabine; Schmidt, Boris","(<i>S</i>)-4-[2-(3-Cyanobenzamido)-3-hydroxypropyl]phenyl 3-cyanobenzoate","Acta Crystallographica Section E","2006","62","6","o2551","o2552","10.1107/S1600536806019428","","","0.71073","MoKα","","0.1104","0.0382","","","0.0624","0.0786","","","","","","0.875","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210033","20.847","0.002","12.18","0.001","7.1222","0.0007","90","","101.738","0.002","90","","1770.6","0.3","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","Methyl 12-bromo-13,14-(2,1,3)-thiadiazolyl-deisopropyldehydroabietate","Methyl 12-bromo-13,14-(thiodiimino)deisopropyldehydroabietate","","- C18 H21 Br N2 O2 S -","- C18 H21 Br N2 O2 S -","- C72 H84 Br4 N8 O8 S4 -","4","1","XU2081","Lin, Ning; Wang, Heng-Shan; Ng, Seik Weng","Methyl 12-bromo-13,14-(thiodinitrilo)deisopropyldehydroabietate","Acta Crystallographica Section E","2006","62","8","o3426","o3427","10.1107/S1600536806027450","","","0.71073","MoKα","","0.056","0.04","","","0.096","0.101","","","","","","0.91","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210515","13.12","0.002","7.596","0.001","10.391","0.002","90","","116.357","0.003","90","","927.9","0.3","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2'-(1,2-dihydroxyethane-1,2-diyl)bis(benzimidazolylium) dinitrate","","- C16 H16 N6 O8 -","- C16 H16 N6 O8 -","- C32 H32 N12 O16 -","2","0.5","BT2176","Shen, Qiong; Shen, Xing-Can; Zeng, Ming-Hua; Ng, Seik Weng","Racemic 2,2'-(1,2-dihydroxyethane-1,2-diyl)bis(benzimidazolium) dinitrate","Acta Crystallographica Section E","2006","62","10","o4523","o4524","10.1107/S1600536806037044","","","0.71073","MoKα","","0.08","0.077","","","0.228","0.234","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210546","8.282","0.0019","11.566","0.003","13.959","0.003","90","","97.545","0.005","90","","1325.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Desmethylbergenin","3,4,8,9,10-pentahydroxy-2-hydroxymethyl-2,3,4,4a,6,10b- hexahydropyrano[3,2-<i>c</i>]isochromen-6-one hemihydrate","","- C13 H15 O9.5 -","- C13 H15 O9.5 -","- C52 H60 O38 -","4","1","CI2166","Zamarrud; Viqar Uddin Ahmad; Shazia Anjum; Farayl Vali Mohammad; M. Qaiser","Desmethylbergenin hemihydrate","Acta Crystallographica Section E","2006","62","10","o4626","o4628","10.1107/S1600536806037640","","","0.71073","MoKα","","0.0322","0.0306","","","0.0771","0.0788","","","","","","1.222","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210737","20.955","0.008","5.795","0.003","14.611","0.007","90","","129.07","0.03","90","","1377.5","1.3","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-4-bromo-2-[(1-phenylethyl)iminomethyl]phenol","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","OB2054","Akitsu, Takashiro; Einaga, Yasuaki","A chiral photochromic Schiff base: (<i>R</i>)-4-bromo-2-[(1-phenylethyl)iminomethyl]phenol","Acta Crystallographica Section E","2006","62","10","o4315","o4317","10.1107/S1600536806034891","","","0.71073","MoKα","","0.0608","0.0456","","","0.1176","0.1281","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210859","26.449","0.005","14.078","0.003","11.802","0.002","90","","114.882","0.003","90","","3986.6","1.3","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[1-hydroxypyridine-2(1<i>H</i>)-thionato-κ^2^<i>S</i>,<i>O</i>)(1,10- phenanthrolineκ^2^N,N')copper(II) tetrathionate trihydrate","","- C34 H30 Cu2 N6 O11 S6 -","- C34 H30 Cu2 N6 O11 S6 -","- C136 H120 Cu8 N24 O44 S24 -","4","1","AT2129","Liu, Y.-F; Xia, H.-T; Chen, H.-W; Wang, D.-Q","Bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-sulfidopyridine <i>N</i>-oxide-κ^2^<i>S</i>,<i>O</i>)copper(II)] tetrathionate trihydrate","Acta Crystallographica Section E","2006","62","11","m3089","m3091","10.1107/S1600536806043637","","","0.71073","MoKα","","0.0823","0.0454","","","0.0962","0.1166","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210977","14","0.02","12.35","0.02","8.838","0.014","90","","111.731","0.019","90","","1419","4","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","(6R,10R,14E)-6-Amino-12-ethylidene-8-methyl-6,7,10,12-tetrahydro-6,10- methanocycloocta[b]pyridin-2(1H)-one monohydrate","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","ER2016","Zhao-Ling Meng; Ai-Ling Sun; Ren-Min Liu; Da-Qi Wang","(6<i>R</i>,10<i>R</i>,14<i>E</i>)-6-Amino-12-ethylidene-8-methyl-6,7,10,12-tetrahydro-6,10-methanocycloocta[<i>b</i>]pyridin-2(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2006","62","11","o4911","o4912","10.1107/S160053680603981X","","","0.71073","MoKα","","0.1265","0.0656","","","0.1372","0.1613","","","","","","1","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211136","17.354","0.002","12.918","0.0014","6.4764","0.001","90","","111.685","0.004","90","","1349.1","0.3","113","2","113","2","","","","","","","","5","C 1 2 1","C 2y","5","","catena-Poly[[dodecaaqua(μ~3~-benzene-1,3,5- tricarboxylato)dinickel(II)zinc(II)]-μ-benzene-1,3,5-tricarboxylato]","","- C18 H30 Ni2 O24 Zn -","- C18 H30 Ni2 O24 Zn -","- C36 H60 Ni4 O48 Zn2 -","2","0.5","NG2116","Liang, Shuang; Wang, Hua; Wang, Zhen; Han, Jin-Yu","<i>catena</i>-Poly[[dodecaaqua(μ~3~-benzene-1,3,5-tricarboxylato)dinickel(II)zinc(II)]-μ-benzene-1,3,5-tricarboxylato]","Acta Crystallographica Section E","2006","62","11","m3014","m3015","10.1107/S1600536806042413","","","0.7107","MoKα","","0.0286","0.025","","","0.0537","0.0542","","","","","","0.979","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211138","32.739","0.002","11.3308","0.0008","11.9635","0.0009","90","","109.297","0.002","90","","4188.6","0.5","223","2","223","2","","","","","","","","7","C 1 2 1","C 2y","5","","catena-Poly[[[bis[(-)-O-bornyldithiocarbonato-κ^2^S,S']nickel(II)]-μ-4,4'- bipyridine-κ^2^N:N'] chloroform disolvate]","","- C34 H44 Cl6 N2 Ni O2 S4 -","- C34 H44 Cl6 N2 Ni O2 S4 -","- C136 H176 Cl24 N8 Ni4 O8 S16 -","4","1","NG2122","Dakternieks, Dainis; Duthie, Andrew; Lai, Chian-Sing; Tiekink, Edward R. T.","<i>catena</i>-Poly[[[bis[({-})-<i>O</i>-bornyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] chloroform disolvate]","Acta Crystallographica Section E","2006","62","11","m3006","m3008","10.1107/S1600536806042681","","","0.71069","MoKα","","0.085","0.059","","","0.149","0.165","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211161","16.662","0.004","5.5801","0.0013","16.295","0.004","90","","103.958","0.004","90","","1470.3","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","Dichlorobis{1-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-ylmethyl]- 1H-1,2,4-triazole-κN^4^}zinc(II)","","- C24 H22 Cl6 N6 O4 Zn -","- C24 H22 Cl6 N6 O4 Zn -","- C48 H44 Cl12 N12 O8 Zn2 -","2","0.5","OB3027","Xie, Xue-Qun; Yang, Chun-Long; Li, Qian-Jin; Luo, Jin-Xiang","Dichlorobis(1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)zinc(II)","Acta Crystallographica Section E","2006","62","11","m3096","m3097","10.1107/S1600536806042723","","","0.71073","MoKα","","0.0522","0.048","","","0.1113","0.1138","","","","","","0.994","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211645","13.6507","0.0017","6.0856","0.0006","23.12","0.003","90","","102.76","0.016","90","","1873.2","0.4","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","methyl 12-chlorodehydroabietate","methyl 6-chloro-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene- 1-carboxylate","","- C21 H29 Cl O2 -","- C21 H29 Cl O2 -","- C84 H116 Cl4 O8 -","4","1","WK2031","Ye Zhang; Ying-Ming Pan; Heng-Shan Wang; Qiang Wu; Yong Zhang","Methyl 12-chlorodehydroabietate","Acta Crystallographica Section E","2006","62","12","o5425","o5426","10.1107/S1600536806045004","","","0.71073","MoKα","","0.0394","0.0356","","","0.0793","0.0812","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211720","24.95","0.0006","10.737","0.0003","19.456","0.0004","90","","96.978","0.0016","90","","5173.4","0.2","150","1","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","[(R)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl-κ^2^P,P']chlorohydrido{(S)- 2-methyl-1-[(4R,5R)-4-methyl-5-phenyl-4,5-dihydrooxazol-2-yl]propan-1- amineκ^2^N,N'}ruthenium(II) benzene solvate","","- C64 H59 Cl N2 O P2 Ru -","- C64 H59 Cl N2 O P2 Ru -","- C256 H236 Cl4 N8 O4 P8 Ru4 -","4","1","BH2065","Abdur-Rashid, Kamaluddin; Lough, Alan J.","[(<i>R</i>)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']chlorohydrido{(<i>S</i>)-2-methyl-1-[(4<i>R</i>,5<i>R</i>)-4-methyl-5-phenyl-4,5-dihydrooxazol-2-yl]propan-1-amine-κ^2^<i>N</i>,<i>N</i>'}ruthenium(II) benzene solvate: an active ketone hydrogenation catalyst","Acta Crystallographica Section E","2007","63","1","m246","m248","10.1107/S1600536806053815","","","0.71073","MoKα","","0.065","0.0507","","","0.119","0.1286","","","","","","1.042","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2212182","22.646","0.007","6.3642","0.0019","13.795","0.004","90","","97.96","0.005","90","","1969","1","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,3-Bis(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yloxy)benzene","","- C16 H24 O8 P2 -","- C16 H24 O8 P2 -","- C64 H96 O32 P8 -","4","1","HB2242","Li, Xiao-Jun; Sun, Shu-Juan; Wang, Jing; Wang, Yan-Fei","1,3-Bis(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yloxy)benzene","Acta Crystallographica Section E","2007","63","2","o619","o620","10.1107/S1600536806055425","","","0.71073","MoKα","","0.0714","0.0406","","","0.0783","0.0895","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212468","28.151","0.006","5.897","0.001","15.261","0.003","90","","122.09","0.03","90","","2146.4","1","295","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","strontium tellurite","","- O3 Sr Te -","- O3 Sr Te -","- O72 Sr24 Te24 -","24","6","BR2023","Zavodnik, Valery E.; Ivanov, Sergey A.; Stash, Adam I.","The α-phase of SrTeO~3~ at 295K","Acta Crystallographica Section E","2007","63","3","i75","i76","10.1107/S160053680700164X","","","0.56086","AgKα","","0.0719","0.028","","","0.0642","0.068","","","","","","0.937","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212696","16.779","0.004","7.2732","0.0014","10.636","0.002","90","","104.952","0.004","90","","1254","0.5","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","thyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate","","- C13 H15 Br O3 -","- C13 H15 Br O3 -","- C52 H60 Br4 O12 -","4","1","SJ2216","Wei Wang; Chang-Qing Wang; Xiu-Jie Liu; Song-Qing Wang","Ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate","Acta Crystallographica Section E","2007","63","3","o1178","o1179","10.1107/S1600536807005077","","","0.71073","MoKα","","0.0245","0.0222","","","0.0526","0.0534","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212948","18.789","0.001","5.908","0.001","9.624","0.001","90","","91.04","0.01","90","","1068.1","0.2","109","2","109","2","","","","","","","","5","C 1 2 1","C 2y","5","L-3-iodotyrosine hemihydrate","(S)-2-Ammonio-3-(3-iodo-4-hydroxyphenyl)propanoate hemihydrate","","- C9 H11 I N O3.5 -","- C9 H11 I N O3.5 -","- C36 H44 I4 N4 O14 -","4","1","LH2317","Marcin Cymborowski; Maksymilian Chruszcz; Zbigniew Dauter; Wladek Minor","3-Iodo-<small>L</small>-tyrosine hemihydrate","Acta Crystallographica Section E","2007","63","4","o1557","o1559","10.1107/S1600536807009129","","","0.71074","MoKα","","0.0221","0.0211","","","0.0544","0.0547","","","","","","1.076","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213115","8.807","0.003","5.975","0.001","14.193","0.003","90","","96.17","0.02","90","","742.5","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","L-α-leucine","2-ammonio-4-methylpentanoate","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","BG2041","Yamashita, Motoi; Inomata, Shinsuke; Ishikawa, Kouki; Kashiwagi, Tatsuki; Matsuo, Hiroshi; Sawamura, Seiji; Kato, Minoru","A high-pressure polymorph of <small>L</small>-α-leucine","Acta Crystallographica Section E","2007","63","5","o2762","o2764","10.1107/S1600536807018764","","","1.5418","CuKα","","0.0388","0.0331","","0.1039","","0.1039","","","1.502","","","1.502","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213184","23.614","0.011","5.698","0.003","14.232","0.006","90","","96.557","0.008","90","","1902.4","1.6","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","3-(4-Chlorophenyl)-5-(4-methylphenyl)-1-phenyl-2-pyrazoline","","- C22 H19 Cl N2 -","- C22 H19 Cl N2 -","- C88 H76 Cl4 N8 -","4","1","BT2344","Huan-Mei Guo; Fang-Fang Jian; Pu-Su Zhao; Ben-Yu Huang; Cui-Hua Lin","3-(4-Chlorophenyl)-5-(4-methylphenyl)-1-phenyl-2-pyrazoline","Acta Crystallographica Section E","2007","63","5","o2622","o2622","10.1107/S1600536807018867","","","0.71073","MoKα","","0.11","0.0549","","","0.1185","0.145","","","","","","0.975","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213755","10.521","0.003","6.76","0.002","14.853","0.004","90","","103.97","0.02","90","","1025.1","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","Bromamine-B","Sodium N-bromobenzenesulfonamidate sesquihydrate","","- C6 H8 Br N Na O3.5 S -","- C6 H8 Br N Na O3.5 S -","- C24 H32 Br4 N4 Na4 O14 S4 -","4","1","DN2177","B. Thimme Gowda; K. M. Usha; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","Sodium <i>N</i>-bromobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2007","63","6","m1739","m1740","10.1107/S1600536807025184","","","0.71073","MoKα","","0.0373","0.034","","","0.0848","0.0877","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213829","37.867","0.003","8.1682","0.0011","10.9666","0.0014","90","","93.45","0.03","90","","3385.9","0.7","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","(R)-Prop-2-ynyl 2-(4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy)propanoate","","- C17 H13 Cl F N O4 -","- C17 H13 Cl F N O4 -","- C136 H104 Cl8 F8 N8 O32 -","8","2","HK2242","Liu, Xiao-Geng; Jia, Hong-Sheng; Chen, You-Sheng; Ma, Hong-Fei","(<i>R</i>)-Prop-2-ynyl 2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate","Acta Crystallographica Section E","2007","63","6","o2860","","10.1107/S1600536807021319","","","0.71073","MoKα","","0.0944","0.06","","","0.1458","0.1696","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213843","10.973","0.002","7.556","0.0015","17.067","0.003","90","","90.33","0.03","90","","1415","0.5","296","","296","","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-1-Phenylethylaminium μ-oxalato-κ^4^O,O':O''O'''-bis[diaqua(oxalato-κ^2^O,O')cobalt(II)]","","- C22 H32 Co2 N2 O16 -","- C22 H32 Co2 N2 O16 -","- C44 H64 Co4 N4 O32 -","2","0.5","HY2056","Xin Yang; Jiang Li; Hai-Wen Wang; Xin-Hua Zhao; Yong-Kui Shan","Bis[(<i>R</i>)-1-phenylethylaminium] μ-oxalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>''<i>O</i>'''-bis[diaqua(oxalato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)]","Acta Crystallographica Section E","2007","63","6","m1554","m1554","10.1107/S1600536807020016","","","0.71073","MoKα","","0.046","0.033","","","0.0829","0.1023","","","","","","1.128","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213846","19.962","0.003","11.4615","0.0017","3.5291","0.0005","90","","95.136","0.012","90","","804.2","0.2","203","2","203","2","","","","","","","","5","C 1 2 1","C 2y","5","","Sodium 2,4-dinitrophenolate Monohydrate","","- C6 H5 N2 Na O6 -","- C6 H5 N2 Na O6 -","- C24 H20 N8 Na4 O24 -","4","1","HY2061","von Prondzinski, Nina; Winter, Manuela; Merz, Klaus","Sodium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section E","2007","63","6","m1687","m1687","10.1107/S1600536807023409","","","0.71073","MoKα","","0.0595","0.0319","","","0.0361","0.0398","","","","","","0.9","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213909","16.542","0.002","9.05","0.002","13.728","0.002","90","","111.507","0.01","90","","1912.1","0.6","296","2","296","2","","","","","","","","8","C 1 2 1","C 2y","5","","Λ~L~Λ~L~-Bis(μ-L-cysteinato)- 1:2κ^3^S:<i>N</i>,<i>S</i>;1:3κ^3^S:<i>N</i>,<i>S</i>- tetrakis(ethylenediamine)-2κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'- dicobalt(III)silver(I) tris(perchlorate) pentahydrate","","- C14 H52 Ag Cl3 Co2 N10 O21 S2 -","- C14 H52 Ag Cl3 Co2 N10 O21 S2 -","- C28 H104 Ag2 Cl6 Co4 N20 O42 S4 -","2","0.5","NG2256","Tamura, Motoshi; Yoshinari, Nobuto; Igashira-Kamiyama, Asako; Konno, Takumi","Λ~L~Λ~L~-Bis(μ-<small>L</small>-cysteinato)-1:2κ^3^<i>S</i>:<i>N</i>,<i>S</i>;1:3κ^3^<i>S</i>:<i>N</i>,<i>S</i>-tetrakis(ethylenediamine)-2κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'-dicobalt(III)silver(I) tris(perchlorate) pentahydrate","Acta Crystallographica Section E","2007","63","6","m1641","m1642","10.1107/S1600536807020442","","","0.71069","MoKα","","0.0264","0.023","","","0.0587","0.0601","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214074","28.262","0.006","5.935","0.001","15.434","0.003","90","","122.21","0.03","90","","2190.4","1","583","2","583","2","","","","","","","","3","C 1 2 1","C 2y","5","","strontium tellurite","","- O3 Sr Te -","- O3 Sr Te -","- O72 Sr24 Te24 -","24","6","BR2042","Zavodnik, Valery E.; Ivanov, Sergey A.; Stash, Adam I.","The γ-phase of SrTeO~3~ at 583K","Acta Crystallographica Section E","2007","63","7","i151","i151","10.1107/S1600536807026098","","","0.56086","AgKα","","0.112","0.0423","","","0.0957","0.1029","","","","","","0.935","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214149","18.8279","0.0013","6.1645","0.0004","16.3539","0.001","90","","99.529","0.006","90","","1871.9","0.2","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3<i>S</i>,4S)-1-Benzhydryl-4-(cyclopropylcarbonyl)- 3-[(1<i>R</i>)-1-hydroxyethyl]azetidin-2-one","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","DN2179","Chen, Xiao-Fei; Wang, Li-Juan; Gao, Yu-Xing; Jin, Li-Ren; Zheng, Jian-Feng","(3<i>S</i>,4<i>S</i>)-1-Benzhydryl-4-(cyclopropylcarbonyl)-3-[(1<i>R</i>)-1-hydroxyethyl]azetidin-2-one","Acta Crystallographica Section E","2007","63","7","o3220","o3220","10.1107/S1600536807028139","","","0.71073","MoKα","","0.0711","0.0463","","","0.1268","0.1573","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214885","31.669","0.006","4.913","0.001","7.1543","0.0014","90","","101.087","0.003","90","","1092.4","0.4","292","2","292","2","","","","","","","","4","C 1 2 1","C 2y","5","","N,N'-(Methylenedi-p-phenylene)diphthalimide","","- C29 H18 N2 O4 -","- C29 H18 N2 O4 -","- C58 H36 N4 O8 -","2","0.5","WK2067","Juan Li; Yi-Tao Li; Zi-Hua Wang","<i>N</i>,<i>N</i>'-(Methylenedi-<i>p</i>-phenylene)diphthalimide","Acta Crystallographica Section E","2007","63","8","o3420","o3420","10.1107/S1600536807031698","","","0.71073","MoKα","","0.0603","0.0496","","","0.1296","0.1355","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214888","24.698","0.009","12.404","0.005","24.328","0.009","90","","104.145","0.007","90","","7227","5","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","(P)-Tetra-μ~3~-iodido-tetrakis[(cyclohexyldiphenylphosphine-κP)silver(I)]","","- C72 H84 Ag4 I4 P4 -","- C72 H84 Ag4 I4 P4 -","- C288 H336 Ag16 I16 P16 -","4","1","WM2128","Young, John F.; Yap, Glenn P. A.","(<i>P</i>)-Tetra-μ~3~-iodido-tetrakis[(cyclohexyldiphenylphosphine-κ<i>P</i>)silver(I)]","Acta Crystallographica Section E","2007","63","8","m2075","m2075","10.1107/S1600536807031911","","","0.71073","MoKα","","0.0495","0.0431","","","0.1014","0.1068","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215226","19.48","0.003","8.6889","0.0013","14.085","0.002","90","","122.361","0.015","90","","2013.8","0.6","165","2","165","2","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-(+)-[μ-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene-\ κ^2^P:P']bis[chloridogold(I)] dichloromethane solvate","","- C45 H34 Au2 Cl4 P2 -","- C45 H34 Au2 Cl4 P2 -","- C90 H68 Au4 Cl8 P4 -","2","0.5","NC2053","Bats, Jan W.; Hamzic, Melissa; Hashmi, A. Stephen K.","(<i>R</i>)-(+)-[μ-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)] dichloromethane solvate","Acta Crystallographica Section E","2007","63","9","m2344","m2344","10.1107/S1600536807039529","","","0.71073","MoKα","","0.0585","0.038","","","0.0734","0.0772","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215396","20.408","0.008","5.69","0.002","11.949","0.005","90","","121.11","0.014","90","","1188","0.8","98","2","98","2","","","","","","","","4","C 1 2 1","C 2y","5","","N-Phenylindazole-1-thiocarboxamide","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C56 H44 N12 S4 -","4","1","BV2071","Sadr, Moayad Hossaini; Khalilizadeh, Zahra; Tiekink, Edward R. T.","<i>N</i>-Phenylindazole-1-thiocarboxamide","Acta Crystallographica Section E","2007","63","10","o4126","o4126","10.1107/S1600536807045734","","","0.7107","MoKα","","0.03","0.03","","","0.068","0.069","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215403","27.8221","0.0012","5.1082","0.0001","13.009","0.0005","90","","98.71","0.002","90","","1827.53","0.11","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","4,6-<i>O</i>-benzylidene-methyl-α-D-glucopyranoside-2,3-diyl 1',2'- phenylene orthocarbonate","4,6-<i>O</i>-Benzylidene-1-<i>O</i>-methyl-2,3-deoxy-α-D-glucopyranos-2,3-diyl- 1',2'-phenylene orthocarbonate","","- C21 H20 O8 -","- C21 H20 O8 -","- C84 H80 O32 -","4","1","CF2136","Betz, Richard; Klüfers, Peter","4,6-<i>O</i>-Benzylidene-1-<i>O</i>-methyl-2,3-deoxy-α-<small>D</small>-glucopyranose-2,3-diyl 1,2-phenylene orthocarbonate","Acta Crystallographica Section E","2007","63","10","o4132","o4132","10.1107/S1600536807045266","","","0.71073","MoKα","","0.0674","0.043","","","0.0893","0.1008","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215480","11.6054","0.001","6.7122","0.0006","10.5718","0.0008","90","","102.821","0.007","90","","802.99","0.12","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetraammonium benzene-1,2,4,5-tetracarboxylate dihydrate","","- C10 H22 N4 O10 -","- C10 H22 N4 O10 -","- C20 H44 N8 O20 -","2","0.5","GG2029","Dutkiewicz, Grzegorz; Borowiak, Teresa; Pietraszkiewicz, Marek; Pietraszkiewicz, Oksana","Tetraammonium benzene-1,2,4,5-tetracarboxylate dihydrate","Acta Crystallographica Section E","2007","63","10","o4101","","10.1107/S1600536807045205","","","0.71073","MoKα","","0.0274","0.0259","","","0.0748","0.0758","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215537","10.197","0.002","7.537","0.0015","27.143","0.005","90","","99.04","0.03","90","","2060.2","0.7","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","3β-Acetoxy-17-ethylenedioxyandrost-5-ene","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","HK2310","Ye-Ming Xu; Shi-Gui Tang; Yi-Xin Zhou; Shan Liu; Cheng Guo","3β-Acetoxy-17-ethylenedioxyandrost-5-ene","Acta Crystallographica Section E","2007","63","10","o3980","o3980","10.1107/S160053680703944X","","","0.71073","MoKα","","0.1108","0.0783","","","0.1779","0.1985","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215563","14.598","0.009","8.627","0.005","30.508","0.019","90","","90.322","0.003","90","","3842","4","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","Diaquabis[μ2-3-(1H-imidazol-5-yl)-2-(3-iminopropionamido)propionato- κ4N:N',N'',O]dicopper(II) dihydrate","","- C18 H28 Cu2 N8 O10 -","- C18 H28 Cu2 N8 O10 -","- C108 H168 Cu12 N48 O60 -","6","1.5","IS2204","Shen, Jie; Li, Yi-Zhi; Zhang, Dong-Mei; Chen, Jun-Hui","Diaquabis[μ~2~-3-(1<i>H</i>-imidazol-5-yl)-2-(3-iminopropionamido)propionato-κ^4^<i>N</i>:<i>N</i>',<i>N</i>'',<i>O</i>]dicopper(II) dihydrate","Acta Crystallographica Section E","2007","63","10","m2569","m2570","10.1107/S160053680704473X","","","0.71073","MoKα","","0.0708","0.0548","","","0.1058","0.1088","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2215755","25.584","0.003","7.4506","0.0011","11.5739","0.0015","90","","113.926","0.002","90","","2016.6","0.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","μ-Chlorido-bis({<i>N</i>-benzyl-<i>N</i>'-[2-(benzylamino)ethyl]ethane- 1,2-diamine}chloridocopper(II))","","- C36 H50 Cl4 Cu2 N6 -","- C36 H50 Cl4 Cu2 N6 -","- C72 H100 Cl8 Cu4 N12 -","2","0.5","BG2104","Liu, Yu-Fen; Xia, Hai-Tao; Wang, Da-Qi; Yang, Shu-Ping","μ-Chlorido-bis({<i>N</i>-benzyl-<i>N</i>'-[2-(benzylamino)ethyl]ethane-1,2-diamine}chloridocopper(II)) chloride","Acta Crystallographica Section E","2007","63","11","m2805","m2806","10.1107/S1600536807051434","","","0.71073","MoKα","","0.1155","0.0556","","","0.0943","0.103","","","","","","0.997","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216122","22.6458","0.0013","7.2018","0.0003","21.326","0.0012","90","","109.258","0.007","90","","3283.4","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis(methyl 2,4,6-tri-O-acetyl-β-D-allofuranosid-3-yl)sulfane","","- C26 H38 O16 S -","- C26 H38 O16 S -","- C104 H152 O64 S4 -","4","1","SJ2366","Cumpstey, Ian; Eriksson, Lars","Bis(methyl 2,4,6-tri-<i>O</i>-acetyl-β-<small>D</small>-allofuranosid-3-yl)sulfane","Acta Crystallographica Section E","2007","63","11","o4197","o4197","10.1107/S1600536807047150","","","0.71073","MoKα","","0.0516","0.0394","","","0.1035","0.1102","","","","","","1.046","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216614","33.36","0.02","7.365","0.004","11.076","0.008","90","","100.52","0.05","90","","2676","3","293","2","","","","","","","","","","3","C 1 2 1","C 2y","5","glucosilate kaurenoic acid 1.5-hydrate","","","- C26 H45 O10.5 -","- C26 H43 O10.49 -","- C104 H172 O41.96 -","4","1","LH2520","Huertas, Angelica; Vega, Daniel; Rodriguez, Jairo Arbey; Rojas, Carlos; Torrenegra, Ruben; Rodriguez, Oscar","Glucosilate kaurenoic acid sesquihydrate","Acta Crystallographica Section E","2007","63","12","o4880","o4880","10.1107/S1600536807059727","","","0.71073","MoKα","","0.233","0.0706","","","0.1687","0.2192","","","","","","0.995","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2216644","21.8696","0.0012","4.7001","0.0002","16.0494","0.0008","90","","109.009","0.003","90","","1559.74","0.14","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 4,6-<i>O</i>-benzylidene-2,3-dideoxy-3-hydroxyimino-α-D-<i>erythro</i>-\ pyranoside methanol solvate","","- C15 H21 N O6 -","- C15 H21 N O6 -","- C60 H84 N4 O24 -","4","1","LN2001","Davies, Melari; Goette, Sebastian; Klüfers, Peter; Schwarz, Thomas","Methyl 4,6-<i>O</i>-benzylidene-2,3-dideoxy-3-hydroxyimino-α-<small>D</small>-<i>erythro</i>-pyranoside methanol solvate","Acta Crystallographica Section E","2007","63","12","o4765","o4765","10.1107/S1600536807059521","","","0.71073","MoKα","","0.0963","0.0481","","","0.1089","0.1277","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216765","21.876","0.006","10.652","0.003","14.12","0.004","90","","95.398","0.006","90","","3275.7","1.6","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4S,5S)-4,5-Bis(3-cyclohexyl-2-thioxobenzimidazol-1-ylmethyl)-2,2-dimethyl-\ 1,3-dioxolane","","- C33 H42 N4 O2 S2 -","- C33 H42 N4 O2 S2 -","- C132 H168 N16 O8 S8 -","4","1","SJ2390","Marshall, Colin; Harrison, William T. A.","(4<i>S</i>,5<i>S</i>)-4,5-Bis(3-cyclohexyl-2-thioxobenzimidazol-1-ylmethyl)-2,2-dimethyl-1,3-dioxolane from synchrotron data","Acta Crystallographica Section E","2007","63","12","o4502","o4502","10.1107/S1600536807053342","","","0.6871","synchrotron","","0.08","0.0549","","","0.1174","0.1284","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216805","40.733","0.009","5.431","0.001","8.266","0.003","90","","97.34","0.02","90","","1813.6","0.8","161","2","161","2","","","","","","","","3","C 1 2 1","C 2y","5","","1,13-diphenyl-2,4,6,8,10,12-hexaoxatridecane","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","SU2020","Bats, Jan W.; Miculka, Christian; Noe, Christian R.","Redetermination of 1,13-diphenyl-2,4,6,8,10,12-hexaoxatridecane at 161K","Acta Crystallographica Section E","2007","63","12","o4757","o4757","10.1107/S1600536807057741","","","1.5418","CuKα","","0.0319","0.0306","","","0.0805","0.0815","","","","","","1.103","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216833","16.28","0.002","6.2848","0.0009","11.1016","0.0015","90","","112.81","0.002","90","","1047","0.2","187","2","187","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-2,3,5,10,11,11a-Hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-dione","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","XU2346","Mao-Sheng Cheng; Chao Ma; Jing-Hong Liu; Yu Sha; Qing-He Wang","(<i>S</i>)-2,3,5,10,11,11a-Hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-3,11-dione","Acta Crystallographica Section E","2007","63","12","o4605","o4605","10.1107/S1600536807054979","","","0.71073","MoKα","","0.0368","0.0355","","","0.0917","0.0929","","","","","","1.171","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216960","32.753","0.003","6.9774","0.0001","21.365","0.002","90","","127.062","0.002","90","","3896.2","0.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","[N,N'-Bis(4-chlorobenzyl)ethane-1,2-diamine]dichloridozinc(II)","","- C16 H18 Cl4 N2 Zn -","- C16 H18 Cl4 N2 Zn -","- C128 H144 Cl32 N16 Zn8 -","8","2","BV2076","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","[<i>N</i>,<i>N</i>'-Bis(4-chlorobenzyl)ethane-1,2-diamine]dichloridozinc(II)","Acta Crystallographica Section E","2008","64","1","m62","m62","10.1107/S1600536807063088","","","0.71073","MoKα","","0.1013","0.0622","","","0.159","0.1904","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217020","28.731","0.009","8.912","0.003","16.112","0.005","90","","122.965","0.005","90","","3461.3","1.9","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,6-Di-<i>tert</i>-butyl-4-(dimethylaminomethyl)phenol","","- C17 H29 N O -","- C17 H29 N O -","- C136 H232 N8 O8 -","8","2","DN2296","Zeng, Tao; Hou, Yu-Ping","2,6-Di-<i>tert</i>-butyl-4-(dimethylaminomethyl)phenol","Acta Crystallographica Section E","2008","64","1","o215","o215","10.1107/S1600536807065117","","","0.71073","MoKα","","0.0887","0.0436","","","0.094","0.112","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217217","24.3029","0.0012","5.3048","0.0003","12.0795","0.0007","90","","97.014","0.003","90","","1545.66","0.15","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","Phenyl 2,3-O-isopropylidene-1-thio-α-D-rhamnopyranoside","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","NG2385","Osman, Hasnah; Larsen, David S.; Hanton, Lyall R.; Simpson, Jim","Phenyl 2,3-<i>O</i>-isopropylidene-1-thio-α-<small>D</small>-rhamnopyranoside","Acta Crystallographica Section E","2008","64","1","o24","o25","10.1107/S1600536807061004","","","0.71073","MoKα","","0.0596","0.0387","","","0.1102","0.1435","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2217319","23.2485","0.0005","7.9862","0.0001","17.9187","0.0004","90","","119.985","0.0009","90","","2881.63","0.1","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","μ-Bromido-dibromido-bis[(4<i>S</i>)-2-(bromo/chloro)- 6-(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine]-μ-hydroxido-dicopper(II)","","- C22 H27 Br3.5 Cl1.5 Cu2 N4 O3 -","- C22 H27 Br3.5 Cl1.5 Cu2 N4 O3 -","- C88 H108 Br14 Cl6 Cu8 N16 O12 -","4","1","SK3162","Laungani, Andy Ch.; Keller, Manfred; Breit, Bernhard","μ-Bromido-dibromido-μ-hydroxido-bis[(4<i>S</i>)-2-halo-6-(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine]dicopper(II) (halo: Cl/Br = 3:1)","Acta Crystallographica Section E","2008","64","1","m24","m25","10.1107/S1600536807058862","","","0.71073","MoKα","","0.031","0.0285","","","0.0694","0.0702","","","","","","1.059","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217489","30.664","0.004","11.8233","0.0019","7.1857","0.001","90","","93.26","0.012","90","","2601","0.6","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,4a-Dimethyl-6-methylene-5-(5,5,6,6-tetracyano-2-methylcyclohex-2- enylmethyl)decahydronaphthalene-1-carboxylic acid ?","","- C26 H30 N4 O2 -","- C26 H30 N4 O2 -","- C104 H120 N16 O8 -","4","1","ER2042","Rejouani, Nezha; Auhmani, Aziz; Ait Itto, My Youssef; Benharref, Ahmed; Daran, Jean-Claude","1,4a-Dimethyl-6-methylene-5-(5,5,6,6-tetracyano-2-methylcyclohex-2-enylmethyl)decahydronaphthalene-1-carboxylic acid: a <i>trans</i>-communic acid derivative","Acta Crystallographica Section E","2008","64","2","o475","o475","10.1107/S1600536808001086","","","0.71073","MoKα","","0.0903","0.0375","","","0.0726","0.0852","","","","","","0.823","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217564","21.0863","0.0016","7.7948","0.0006","12.102","0.001","90","","107.433","0.001","90","","1897.8","0.3","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","(+)-<i>N</i>-[2-(4-Chlorophenyl)propanoyl]bornane-10,2-sultam","","- C19 H24 Cl N O3 S -","- C19 H24 Cl N O3 S -","- C76 H96 Cl4 N4 O12 S4 -","4","1","IS2250","Wen-Chang Lu; Jun Cao; Chen Cheng; Guang-Ao Yu; Sheng-Hua Liu","(+)-<i>N</i>-[2-(4-Chlorophenyl)propanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2008","64","2","o454","o454","10.1107/S1600536807067980","","","0.71073","MoKα","","0.0633","0.0524","","","0.1506","0.1797","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217714","21.838","0.003","11.1675","0.0015","11.0443","0.0015","90","","100.949","0.003","90","","2644.4","0.6","294","2","294","2","","","","","","","","5","C 1 2 1","C 2y","5","","[N,N'-(1,2-Diphenylethane-1,2-diyl)bis(pyridine-2-carboxamidato)]nickel(II) diethyl ether hemisolvate","","- C28 H25 N4 Ni O2.5 -","- C28 H25 N4 Ni O2.5 -","- C112 H100 N16 Ni4 O10 -","4","1","AV2001","Yang, Li; Deng, Dong-Yan; Li, Mei; Zhou, Xiang-Ge","[<i>N</i>,<i>N</i>'-(1,2-Diphenylethane-1,2-diyl)bis(pyridine-2-carboxamidato)]nickel(II) diethyl ether hemisolvate","Acta Crystallographica Section E","2008","64","3","m439","","10.1107/S1600536808002882","","","0.71073","MoKα","","0.1274","0.0583","","","0.1325","0.1621","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2217811","16.605","0.0013","10.76","0.002","9.905","0.002","90","","110.09","0.02","90","","1662","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-[2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]malononitrile","","- C16 H14 N2 O S2 -","- C16 H14 N2 O S2 -","- C64 H56 N8 O4 S8 -","4","1","PV2055","Nirmala, Joseph; Unnikrishnan, N. V.; Asokan, C. V.; Anabha, E. R.; Sudarsanakumar, C.","2-[2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]malononitrile","Acta Crystallographica Section E","2008","64","3","o592","","10.1107/S1600536808004054","","","0.7107","MoKα","","0.0513","0.0488","","","0.1502","0.1562","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217822","23.568","0.002","7.842","0.0009","14.784","0.0014","90","","101.046","0.005","90","","2681.8","0.5","296","1","296","1","101","2","","","","","","3","C 1 2 1","C 2y","5","","(<i>E</i>)-(25<i>S</i>)-23-Acetyl-5β-furost-22-ene-3β,26-diol","","- C29 H46 O4 -","- C29 H46 O4 -","- C116 H184 O16 -","4","1","RZ2197","Hernández Linares, María-Guadalupe; Sandoval Ramírez, Jesús; Meza Reyes, Socorro; Montiel Smith, Sara; Bernès, Sylvain","(<i>E</i>)-(25<i>S</i>)-23-Acetyl-5β-furost-22-ene-3β,26-diol","Acta Crystallographica Section E","2008","64","3","o613","","10.1107/S1600536808004509","","","0.71073","MoKα","","0.05","0.0385","","","0.0904","0.0967","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217889","24.9902","0.0002","5.7475","0.0001","15.193","0.0001","90","","115.415","0.001","90","","1971","0.04","100","0.1","","","","","","","","","","5","C 1 2 1","C 2y","5","","4-Aminopyridinium 4-aminobenzenesulfonate 4-ammoniobenzenesulfonate monohydrate","","- C17 H22 N4 O7 S2 -","- C17 H22 N4 O7 S2 -","- C68 H88 N16 O28 S8 -","4","1","CI2568","Fun, Hoong-Kun; Jebas, Samuel Robinson; Sinthiya, A.","4-Aminopyridinium 4-aminobenzenesulfonate 4-ammoniobenzenesulfonate monohydrate","Acta Crystallographica Section E","2008","64","4","o697","o698","10.1107/S1600536808006259","","","0.71073","MoKα","","","0.0483","","","","0.1136","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218008","22.7764","0.0012","5.3046","0.0003","13.0686","0.0006","90","","117.612","0.003","90","","1399.11","0.13","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","Methyl 3-{[1-(4-hydroxyphenyl)-2-methoxy-2-oxoethyl]amino}-3-oxopropanoate hemihydrate","Methyl 2-{[(4-hydroxyphenyl)(methoxycarbonyl)methyl]aminocarbonyl}ethanoate hemihydrate","","- C13 H16 N O6.5 -","- C13 H16 N O6.5 -","- C52 H64 N4 O26 -","4","1","SJ2467","Mohammat, M. Fazli; Shaameri, Zurina; Hamzah, A. Sazali; Kamarulzaman, N.; Fun, Hoong-Kun; Chantrapromma, Suchada","Methyl 2-{[(4-hydroxyphenyl)(methoxycarbonyl)methyl]aminocarbonyl}ethanoate hemihydrate","Acta Crystallographica Section E","2008","64","4","o663","o664","10.1107/S1600536808005552","","","0.71073","MoKα","","0.0509","0.0398","","","0.0851","0.0904","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218233","25.8073","0.0004","9.1754","0.0001","14.3265","0.0002","90","","112.566","0.001","90","","3132.68","0.08","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","Dichloridobis(2-{1-[2-(1<i>H</i>-indol-3-yl)ethyliminio]ethyl}phenolate- κ<i>O</i>)zinc(II)‒2-{1-[2-(1<i>H</i>-indol-3-yl)ethyliminio]ethyl}phenolate (1/2)","","- C72 H72 Cl2 N8 O4 Zn -","- C72 H72 Cl2 N8 O4 Zn -","- C144 H144 Cl4 N16 O8 Zn2 -","2","0.5","SG2225","Ali, Hapipah M.; Mohamed Mustafa, Mohamed Ibrahim; Rizal, Mohd. Razali; Ng, Seik Weng","Dichloridobis(2-{1-[2-(1<i>H</i>-indol-3-yl)ethyliminio]ethyl}phenolate-κ<i>O</i>)zinc(II)‒2-{1-[2-(1<i>H</i>-indol-3-yl)ethyliminio]ethyl}phenolate (1/2)","Acta Crystallographica Section E","2008","64","5","m718","m719","10.1107/S1600536808011161","","","0.71073","MoKα","","0.0492","0.037","","","0.0842","0.0907","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218358","20.342","0.008","5.911","0.002","14.551","0.005","90","","128.585","0.004","90","","1367.7","0.9","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","(<i>E</i>)-4-Methyl-2-[(<i>R</i>)-1-phenylethyliminomethyl]phenol","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","CI2590","Dang, Fang-Fang","(<i>E</i>)-4-Methyl-2-[(<i>R</i>)-1-phenylethyliminomethyl]phenol","Acta Crystallographica Section E","2008","64","6","o1065","","10.1107/S1600536808013160","","","0.71073","MoKα","","0.0359","0.0333","","","0.0966","0.1002","","","","","","1.084","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218413","26.283","0.005","11.335","0.002","19.219","0.004","90","","121.4","0.03","90","","4887","2","173","1","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","(1<i>R</i>,4'<i>S</i>)-4-(<i>tert</i>-Butyldimethylsilanoxy)- 1-[2,2-dimethyl-3-(p-tolylsulfonyl)-1,3-oxazolidin-4-yl]but-2-yn-1-ol","","- C22 H35 N O5 S Si -","- C22 H35 N O5 S Si -","- C176 H280 N8 O40 S8 Si8 -","8","2","HB2724","Erdsack, Jörg; Schürmann, Markus; Preut, Hans; Krause, Norbert","(1<i>R</i>,4'<i>S</i>)-4-(<i>tert</i>-Butyldimethylsilanoxy)-1-[2,2-dimethyl-3-(<i>p</i>-tolylsulfonyl)-1,3-oxazolidin-4-yl]but-2-yn-1-ol","Acta Crystallographica Section E","2008","64","6","o1171","","10.1107/S1600536808014906","","","0.71073","MoKα","","0.114","0.0346","","","0.0648","0.087","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218447","18.23","0.01","8.078","0.006","13.86","0.01","90","","118.441","0.007","90","","1795","2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","5'-hydroxyzearalenol monohydrate","(4<i>S</i>,8<i>S</i>,9<i>R</i>,12<i>E</i>)-8,9,16,18-Tetrahydroxy-4-methyl- 3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate","","- C18 H26 O7 -","- C18 H26 O7 -","- C72 H104 O28 -","4","1","IM2058","Zhao, Ling-Ling; Gai, Yue; Kobayashi, Hisayoshi; Hu, Chang-Qi; Zhang, Hui-Ping","(4<i>S</i>,8<i>S</i>,9<i>R</i>,12<i>E</i>)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate","Acta Crystallographica Section E","2008","64","6","o999","","10.1107/S1600536808010258","","","0.71073","MoKα","","0.0672","0.0601","","","0.1408","0.1451","","","","","","1.026","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218548","22.55","0.004","4.627","0.0006","13.822","0.003","90","","127.73","0.03","90","","1140.6","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(E)-4-chloro-2-(2-furylmethyliminomethyl)phenolato]iron(II)","","- C24 H18 Cl2 Fe N2 O4 -","- C24 H18 Cl2 Fe N2 O4 -","- C48 H36 Cl4 Fe2 N4 O8 -","2","0.5","SJ2505","Xia, Dong-Sheng; Chen, Wu; Huang, Jing; Zeng, Qing-Fu","Bis[(<i>E</i>)-4-chloro-2-(2-furylmethyliminomethyl)phenolato]iron(II)","Acta Crystallographica Section E","2008","64","6","m844","","10.1107/S1600536808015559","","","0.71073","MoKα","","0.0902","0.0601","","","0.1605","0.2027","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218895","19.937","0.002","5.8637","0.0005","14.9207","0.0014","90","","121.001","0.003","90","","1495.1","0.2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(4-methylphenyl)penta-1,4-dien-3-one","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","BQ2087","Arshad, Muhammad Nadeem; Tahir, Muhammad Nawaz; Asghar, Muhammad Nadeem; Khan, Islam Ullah; Ashfaq, Muhammad","(1<i>E</i>,4<i>E</i>)-1,5-Bis(4-methylphenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2008","64","8","o1413","","10.1107/S1600536808020084","","","0.71073","MoKαradiation","","0.0671","0.0475","","","0.1218","0.1369","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219094","21.5582","0.0005","5.6105","0.0001","10.4622","0.0003","90","","101.51","0.002","90","","1239.98","0.05","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","(E)-3-(3,4-Dimethoxyphenyl)-1-(2-furyl)prop-2-en-1-one","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","LH2655","Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Dharmaprakash, S. M.","(<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(2-furyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","o1434","o1435","10.1107/S1600536808020539","","","0.71073","MoKα","","0.0508","0.0419","","","0.0992","0.1038","","","","","","1.098","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219129","18.275","0.003","7.7293","0.0012","13.91","0.003","90","","97.87","0.02","90","","1946.3","0.6","291","2","291","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 3-O-α-D-mannopyranosyl β-D-glucopyranoside tetrahydrate","","- C13 H32 O15 -","- C13 H32 O15 -","- C52 H128 O60 -","4","1","OM2251","Eriksson, Lars; Widmalm, Göran","Methyl 3-<i>O</i>-α-<small>D</small>-mannopyranosyl β-<small>D</small>-glucopyranoside tetrahydrate","Acta Crystallographica Section E","2008","64","8","o1639","o1640","10.1107/S1600536808021454","","","0.71073","MoKα","","0.0336","0.0248","","","0.0567","0.0593","","","","","","0.989","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219195","19.892","0.004","11.307","0.005","16.825","0.005","90","","91.07","0.02","90","","3784","2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","delgradine","(1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7- hydroxy-21-methyl-N,19-secohetisan-19-al","","- C41 H43 N O12 -","- C41 H43 N O12 -","- C164 H172 N4 O48 -","4","1","XU2424","Li, Shu-Hua; Zi, Tie-Ying; Wang, Xiong-Qing","(1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-<i>N</i>,19-secohetisan-19-al","Acta Crystallographica Section E","2008","64","8","o1394","","10.1107/S1600536808019223","","","0.71073","MoKα","","0.1032","0.0475","","","0.1133","0.1295","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219374","10.9466","0.0016","9.8135","0.0014","11.3913","0.0017","90","","100.187","0.003","90","","1204.4","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[[tetraaqua(μ~6~-2,2'-diiodobiphenyl-4,4',5,5'-tetracarboxylato)dizinc(II)] dihydrate]","","- C16 H16 I2 O14 Zn2 -","- C16 H16 I2 O14 Zn2 -","- C32 H32 I4 O28 Zn4 -","2","0.5","IS2308","Wang, Yan; Li, Yue-Qin; Shen, Ying-Zhong","Poly[[tetraaqua(μ~6~-2,2'-diiodobiphenyl-4,4',5,5'-tetracarboxylato)dizinc(II)] dihydrate]","Acta Crystallographica Section E","2008","64","9","m1203","m1204","10.1107/S1600536808026494","","","0.71069","MoKα","","0.0613","0.0522","","","0.0845","0.0876","","","","","","0.975","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219561","13.07","0.005","6.9215","0.0015","15.027","0.005","90","","97.9","0.02","90","","1346.5","0.7","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","1S,2S-1-((pyridin-3'-yl)methyl)pyrrolidine-2-carboxylic acid-1, 1'-ium dichloride semihydrate","(1<i>S</i>,2<i>S</i>)-2-Carboxy-1-(3-pyridiniomethyl)pyrrolidin-1-ium dichloride hemihydrate","","- C11 H17 Cl2 N2 O2.5 -","- C11 H17 Cl2 N2 O2.5 -","- C44 H68 Cl8 N8 O10 -","4","1","DN2371","Dai, Jing; Wen, Xiao-Chun","(1<i>S</i>,2<i>S</i>)-2-Carboxy-1-(3-pyridiniomethyl)pyrrolidin-1-ium dichloride hemihydrate","Acta Crystallographica Section E","2008","64","10","o1960","","10.1107/S160053680802922X","","","0.71073","MoKα","","0.0366","0.033","","","0.0824","0.0854","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2219791","26.1776","0.0006","10.3379","0.0002","13.6631","0.0003","90","","91.125","0.001","90","","3696.81","0.14","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Spiro[3-phenyl-5-(3,4,5-trimethoxyphenyl)-2-ethoxycarbonyl pyrrolidine-4,31-estrone]","Ethyl 3-hydroxy-13-methyl-4'-phenyl-2'-(3,4,5-trimethoxyphenyl)- 6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene- 16,3'-pyrrolidine]-5'-carboxylate","","- C39 H45 N O7 -","- C39 H45 N O7 -","- C156 H180 N4 O28 -","4","1","BT2805","Kamala, E. Theboral Sugi; Murugan, R.; Nirmala, S.; Sudha, L.; Narayanan, S. Sriman","Ethyl 3-hydroxy-13-methyl-4'-phenyl-2'-(3,4,5-trimethoxyphenyl)-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[<i>a</i>]phenanthrene-16,3'-pyrrolidine]-5'-carboxylate","Acta Crystallographica Section E","2008","64","11","o2219","o2220","10.1107/S1600536808034582","","","0.71073","MoKα","","0.0549","0.0466","","","0.1198","0.1324","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219813","14.9185","0.0017","7.8124","0.0009","15.1299","0.0019","90","","105.251","0.007","90","","1701.3","0.4","193","2","7","2","","","","","","","","4","C 1 2 1","C 2y","5","","(<i>E</i>)-Methyl N'-(2-furylmethylene)hydrazinecarboxylate","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C56 H64 N16 O24 -","8","2","CI2688","Lv, Lu-Ping; Zhang, Yong-Zhao; Ding, Xiao-Min; Yu, Wen-Bo; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-(2-furylmethylene)hydrazinecarboxylate","Acta Crystallographica Section E","2008","64","11","o2146","","10.1107/S1600536808033825","","","0.71073","MoKα","","0.038","0.0312","","","0.0817","0.0849","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219853","12.9691","0.0013","4.601","0.001","16.3639","0.0016","90","","91.621","0.001","90","","976.1","0.3","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2'-{1,1'-[Pentane-1,5-diylbis(oxynitrilo)]diethylidyne}diphenol","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","0.5","GW2048","Dong, Wen-Kui; Lv, Zhong-Wu; He, Xue-Ni; Guan, Yong-Hong; Tong, Jun-Feng","2,2'-{1,1'-[Pentane-1,5-diylbis(oxynitrilo)]diethylidyne}diphenol","Acta Crystallographica Section E","2008","64","11","o2059","","10.1107/S160053680803136X","","","0.71073","MoKα","","0.0755","0.0417","","","0.1014","0.1229","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219882","15.6706","0.0019","9.4198","0.0009","5.4026","0.0004","90","","90.156","0.001","90","","797.5","0.14","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","1,3-Bis(4-methoxyphenyl)imidazolidium chloride monohydrate","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C34 H38 Cl2 N4 O6 -","2","0.5","HK2542","Wan, Yu; Xin, Haiqiang; Chen, Xiumei; Xu, Huahong; Wu, Hui","1,3-Bis(4-methoxyphenyl)imidazolidium chloride monohydrate","Acta Crystallographica Section E","2008","64","11","o2159","","10.1107/S1600536808033965","","","0.71073","MoKα","","0.0328","0.0294","","","0.0737","0.0757","","","","","","1.012","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220106","31.48","0.0012","10.0043","0.0004","9.7681","0.0004","90","","94.276","0.003","90","","3067.8","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6β-Acetamido-5α-hydroxycholestan-3β-yl acetate","","- C31 H53 N O4 -","- C31 H53 N O4 -","- C124 H212 N4 O16 -","4","1","CI2694","Pinto, R. M.A.; Ramos Silva, M.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","6β-Acetamido-5α-hydroxycholestan-3β-yl acetate","Acta Crystallographica Section E","2008","64","12","o2303","","10.1107/S160053680803568X","","","0.71073","MoKα","","0.0957","0.0496","","","0.1288","0.1618","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220551","28.559","0.002","9.2318","0.0006","13.899","0.0009","90","","99.111","0.002","90","","3618.3","0.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","Diaqua[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)propane-1,3-\ diamine]manganese(II) dibromide‒\ aquabromido[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)propane-1,3-\ diamine]manganese(II) bromide‒\ dibromido[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)propane-1,3-\ diamine]manganese(II) (1/2/1)","","- C60 H72 Br8 Mn4 N16 O4 -","- C60 H72 Br8 Mn4 N16 O4 -","- C120 H144 Br16 Mn8 N32 O8 -","2","0.5","IM2090","Hwang, In-Chul; Ha, Kwang","Diaqua[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)propane-1,3-diamine]manganese(II) dibromide‒aquabromido[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)propane-1,3-diamine]manganese(II) bromide‒dibromido[<i>N</i>,<i>N</i>'-bis(2-pyridylmethylene)propane-1,3-diamine]manganese(II) (1/2/1)","Acta Crystallographica Section E","2009","65","1","m64","m65","10.1107/S1600536808041731","","","0.71073","MoKα","","0.0545","0.0453","","","0.1122","0.1156","","","","","","0.982","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220918","22.286","0.002","7.2005","0.0007","15.8772","0.0017","90","","110.119","0.002","90","","2392.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","1-(2,3,4,6-Tetra-<i>O</i>-acetyl-β-D-glucopyranosyl)-3-thioureidothiourea monohydrate","","- C16 H26 N4 O10 S2 -","- C16 H26 N4 O10 S2 -","- C64 H104 N16 O40 S8 -","4","1","SU2088","Sun, Weidong; Yao, Jin; Bai, Lifei; Wang, Xiaoming","1-(2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)-3-thioureidothiourea monohydrate","Acta Crystallographica Section E","2009","65","2","o242","","10.1107/S1600536808043833","","","0.71073","MoKα","","0.0635","0.0553","","","0.1286","0.1408","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220951","12.66","0.003","6.443","0.003","30.167","0.003","90","","98.02","0.03","90","","2436.6","1.3","292","2","292","2","","","","","","","","3","C 1 2 1","C 2y","5","","(25<i>R</i>)-5a-Spirostane-3,12-dione","","- C27 H40 O4 -","- C27 H40 O4 -","- C108 H160 O16 -","4","1","XU2465","Zi, Tie-Ying; Zang, Zhi-He; Yuan, Ming-Yong; Zheng, Ling-Li","(25<i>R</i>)-5a-Spirostane-3,12-dione","Acta Crystallographica Section E","2009","65","2","o232","","10.1107/S1600536808043687","","","0.71073","MoKα","","0.2285","0.0784","","","0.1606","0.2015","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221061","21.2037","0.0005","5.2166","0.0001","17.2517","0.0005","90","","97.037","0.002","90","","1893.86","0.08","130","2","130","2","","","","","","","","6","C 1 2 1","C 2y","5","","(<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(1-carboxy-2- methylpropyl)ethylenediammonium 0.09-bromide 0.91-chloride cyclopentanol tetrasolvate","","- C32 H66 Br0.17 Cl1.83 N2 O8 -","- C32 H66 Br0.172 Cl1.828 N2 O8 -","- C64 H132 Br0.344 Cl3.656 N4 O16 -","2","0.5","FJ2196","Zmejkovski, Bojana B.; Kaluderović, Goran N.; Gómez-Ruiz, Santiago; Sabo, Tibor J.","(<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(1-carboxy-2-methylpropyl)ethylenediammonium dihalide cyclopentanol tetrasolvate (halide = bromide/chloride ≃1:12)","Acta Crystallographica Section E","2009","65","3","o656","o657","10.1107/S1600536809006679","","","0.71073","MoKα","","0.0509","0.042","","","0.1018","0.1042","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221687","33.131","0.004","5.9916","0.0007","21.472","0.003","90","","97.715","0.003","90","","4223.8","0.9","292","2","292","2","","","","","","","","4","C 1 2 1","C 2y","5","f080808","(+)-[1-(4-Methoxybenzyl)pyrrolidin-2-yl]diphenylmethanol","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C200 H216 N8 O16 -","8","2","HB2936","Jin, Jia; Xue, Si-Jia; Li, Xue-Fei; Fang, Zhi-Kun","(+)-[1-(4-Methoxybenzyl)pyrrolidin-2-yl]diphenylmethanol","Acta Crystallographica Section E","2009","65","5","o1035","","10.1107/S1600536809011817","","","0.71073","MoKα","","0.1567","0.0673","","","0.1498","0.179","","","","","","0.932","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221766","28.5864","0.0007","12.2408","0.0003","19.3545","0.0004","90","","120.552","0.001","90","","5832.3","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","3-Oxoolean-1-en-28-oic acid‒<i>n</i>-hexane‒water (4/1/1)","","- C31.5 H50 O3.25 -","- C31.5 H50 O3.25 -","- C252 H400 O26 -","8","2","LH2809","Awang, Khalijah; Yusoff, Mahfizah; Mohamad, Khalit; Chong, Soo Lim; Ng, Seik Weng","3-Oxoolean-1-en-28-oic acid‒<i>n</i>-hexane‒water (4/1/1) from the bark of <i>Walsura pinnata</i> Hassk","Acta Crystallographica Section E","2009","65","5","o1166","","10.1107/S1600536809015086","","","0.71073","MoKα","","0.089","0.0677","","","0.182","0.2035","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2221889","14.0683","0.0012","4.5659","0.0007","19.048","0.002","90","","97.321","0.001","90","","1213.6","0.2","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2'-{1,1'-[Pentane-1,5-diylbis(oxynitrilo)]diethylidyne}di-1-naphthol","","- C29 H30 N2 O4 -","- C29 H30 N2 O4 -","- C58 H60 N4 O8 -","2","0.5","AT2776","Sun, Yin-Xia; Wu, Jian-Chao; Dong, Wen-Kui; Gong, Shang-sheng; Tong, Jun-Feng","2,2'-{1,1'-[Pentane-1,5-diylbis(oxynitrilo)]diethylidyne}di-1-naphthol","Acta Crystallographica Section E","2009","65","6","o1238","","10.1107/S1600536809016584","","","0.71073","MoKα","","0.0671","0.043","","","0.1008","0.1108","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222166","11.011","0.001","6.6434","0.0006","14.447","0.001","90","","100.35","0.007","90","","1039.61","0.15","299","2","299","2","","","","","","","","7","C 1 2 1","C 2y","5","","Sodium <i>N</i>-chloro-2-methylbenzenesulfonamidate sesquihydrate","","- C7 H10 Cl N Na O3.5 S -","- C7 H10 Cl N Na O3.5 S -","- C28 H40 Cl4 N4 Na4 O14 S4 -","4","1","TK2451","Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","Sodium <i>N</i>-chloro-2-methylbenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2009","65","6","m700","","10.1107/S1600536809019989","","","0.71073","MoKα","","0.023","0.023","","","0.06","0.061","","","","","","1.02","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2222191","17.3394","0.001","12.8724","0.0007","6.5462","0.0003","90","","111.609","0.002","90","","1358.42","0.13","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>catena</i>-Poly[[tetraaquanickel(II)]-μ~3~-benzene-1,3,5-tricarboxylato- 3':1:2-κ^4^<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^- [tetraaquanickel(II)]-\μ~2~-benzene-1,3,5-tricarboxylato- 2:3κ^2^<i>O</i>^1^:<i>O</i>^3^-[tetraaquanickel(II)]]","","- C18 H30 Ni3 O24 -","- C18 H30 Ni3 O24 -","- C36 H60 Ni6 O48 -","2","0.5","ZL2190","Hsu, Shih-Chen; Chiang, Pei-Hsuan; Chang, Chih-Hsien; Lin, Chia-Her","<i>catena</i>-Poly[[tetraaquanickel(II)]-μ~3~-benzene-1,3,5-tricarboxylato-3':1:2-κ^4^<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^-[tetraaquanickel(II)]-μ~2~-benzene-1,3,5-tricarboxylato-2:3κ^2^<i>O</i>^1^:<i>O</i>^3^-[tetraaquanickel(II)]]","Acta Crystallographica Section E","2009","65","6","m625","m626","10.1107/S1600536809016729","","","0.71073","MoKα","","0.0301","0.0282","","","0.0679","0.0684","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222488","9.934","0.006","7.469","0.005","30.647","0.018","90","","91.547","0.01","90","","2273","2","293","","293","2","","","","","","","","4","C 1 2 1","C 2y","5","<i>N</i>-<i>tert</i>-Butyl-3-hydroxy-5-androstene-17-carboxamide monohydrate","<i>N</i>-(<i>tert</i>-butyl)-3-hydroxy-10,13-dimethyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydo-1<i>H</i>- cyclopenta[α]phenanthrene-17-carboxamide monohydrate","","- C24 H41 N O3 -","- C24 H41 N O3 -","- C96 H164 N4 O12 -","4","1","WM2238","Li, Jiang-Sheng; Simpson, Jim; Li, Xiao-Jun; Li, Xun; Huang, Peng-Mian","<i>N</i>-<i>tert</i>-Butyl-3-hydroxy-5-androstene-17-carboxamide monohydrate","Acta Crystallographica Section E","2009","65","7","o1507","o1508","10.1107/S1600536809020984","","","0.71073","MoKα","","0.0646","0.0477","","","0.1065","0.1135","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222648","9.872","0.002","9.6636","0.0019","8.4268","0.0017","90","","109.57","0.03","90","","757.5","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","1,4-Diazoniabicyclo[2.2.2]octane diaquadichlorido(oxalato-κ^2^<i>O</i>,<i>O</i>')iron(III) chloride","","- C8 H18 Cl3 Fe N2 O6 -","- C8 H18 Cl3 Fe N2 O6 -","- C16 H36 Cl6 Fe2 N4 O12 -","2","0.5","CV2580","Cai, Ying","1,4-Diazoniabicyclo[2.2.2]octane diaquadichlorido(oxalato-κ^2^<i>O</i>,<i>O</i>')iron(III) chloride","Acta Crystallographica Section E","2009","65","8","m877","","10.1107/S1600536809025628","","","0.71073","MoKα","","0.0212","0.0204","","","0.049","0.0493","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222848","19.857","0.004","7.2552","0.0015","13.735","0.003","90","","98.27","0.03","90","","1958.2","0.7","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","abacavir methanol 2.5-solvate","{(1<i>S</i>,4<i>R</i>)-4-[2-amino-6-(cyclopropylamino)-9<i>H</i>-purin-9- yl]cyclopent-2-en-1-yl}methanol methanol 2.5-solvate","","- C16.5 H28 N6 O3.5 -","- C14 H18 N6 O -","- C56 H72 N24 O4 -","4","1","PV2180","Pham, Phuong-Truc T.","Abacavir methanol 2.5-solvate","Acta Crystallographica Section E","2009","65","8","o1937","","10.1107/S1600536809027743","","","0.71073","MoKα","","0.039","0.036","","","0.097","0.099","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222914","13.7204","0.0009","11.5853","0.0005","7.6579","0.0005","90","","116.413","0.008","90","","1090.19","0.13","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","(R,R)-di-synephrine ether di-hydrogen sulfate","(<i>R</i>,<i>R</i>)-2,4-bis(4-hydroxyphenyl)-<i>N</i>,<i>N</i>'-dimethyl- 3-oxapentane-1,5-diammonium bis(hydrogen sulfate)","","- C18 H28 N2 O11 S2 -","- C18 H28 N2 O11 S2 -","- C36 H56 N4 O22 S4 -","2","0.5","WM2243","Arbuckle, William; Kennedy, Alan R.; Morrison, Catriona A.","(<i>R</i>,<i>R</i>)-Disynephrine ether bis(hydrogen sulfate)","Acta Crystallographica Section E","2009","65","8","o1768","o1769","10.1107/S1600536809025288","","","0.71073","MoKα","","0.0543","0.0434","","","0.1077","0.1112","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222938","13.911","0.006","7.34","0.001","12.669","0.005","90","","113.43","0.02","90","","1186.9","0.7","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis[5-(2-naphthyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]silver(I) nitrate","","- C26 H20 Ag N5 O3 -","- C26 H20 Ag N5 O3 -","- C52 H40 Ag2 N10 O6 -","2","0.5","XU2561","Wang, Zhao-Yang; Zhang, Pei-Pei; Yang, Guang; Ng, Seik Weng","Bis[5-(2-naphthyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]silver(I) nitrate","Acta Crystallographica Section E","2009","65","8","m980","","10.1107/S1600536809028645","","","0.71073","MoKα","","0.0717","0.061","","","0.1594","0.1738","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222957","12.8171","0.0008","7.5954","0.0003","16.0909","0.0006","90","","109.815","0.005","90","","1473.72","0.13","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","4-chloroanilinium hydrogen 4,5-dichlorophthalate","4-Chloroanilinium 2-carboxy-4,5-dichlorobenzoate","","- C14 H10 Cl3 N O4 -","- C14 H10 Cl3 N O4 -","- C56 H40 Cl12 N4 O16 -","4","1","AT2844","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","4-Chloroanilinium 2-carboxy-4,5-dichlorobenzoate","Acta Crystallographica Section E","2009","65","9","o2111","","10.1107/S160053680903044X","","","1.54184","CuKα","","0.07","0.0619","","","0.1613","0.1751","","","","","","0.997","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223028","11.5142","0.0002","5.8804","0.0001","16.6891","0.0003","90","","95.292","0.001","90","","1125.17","0.03","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","4-Amino-3-[(4-methoxyphenyl)aminomethyl]-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione","","- C10 H13 N5 O S -","- C10 H13 N5 O S -","- C40 H52 N20 O4 S4 -","4","1","CI2889","Fun, Hoong-Kun; Yeap, Chin Sing; Malladi, Shridhar; Padaki, Mahesh; Isloor, Arun M.","4-Amino-3-[(4-methoxyphenyl)aminomethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2009","65","9","o2213","","10.1107/S1600536809032607","","","0.71073","MoKα","","0.0383","0.0311","","","0.0646","0.068","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223054","29.005","0.003","4.7878","0.0005","6.3579","0.0007","90","","99.144","0.001","90","","871.7","0.16","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","4,4'-Dinitro-1,1'-[(propane-1,3-diyldioxy)bis(nitrilomethylidyne)]dibenzene","1,3-Bis[(4-nitrobenzylidene)aminooxy]propane","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C34 H32 N8 O12 -","2","0.5","FL2256","Dong, Wen-Kui; Sun, Yin-Xia; Tong, Jun-Feng; Zhao, Hai-Hong; Wang, Li","1,3-Bis[(4-nitrobenzylidene)aminooxy]propane","Acta Crystallographica Section E","2009","65","9","o2141","o2142","10.1107/S1600536809031316","","","0.71073","MoKα","","0.0568","0.0388","","","0.0871","0.0942","","","","","","0.956","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223343","34.736","0.007","17.729","0.004","11.013","0.002","90","","97.62","0.03","90","","6722","2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1<i>R</i>,3<i>S</i>)-Methyl 3-[(<i>S</i>)-2- (hydroxydiphenylmethyl)pyrrolidin-1-ylmethyl]-2,2- dimethylcyclopropanecarboxylate","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C300 H372 N12 O36 -","12","3","CV2590","Wang, Bo; Ye, Nengsheng; Li, Zhiyuan; Zhong, Jiangchun; Hou, Shicong","(1<i>R</i>,3<i>S</i>)-Methyl 3-[(<i>S</i>)-2-(hydroxydiphenylmethyl)pyrrolidin-1-ylmethyl]-2,2-dimethylcyclopropanecarboxylate","Acta Crystallographica Section E","2009","65","10","o2474","","10.1107/S1600536809035296","","","0.71073","MoKα","","0.0609","0.0585","","","0.1437","0.1452","","","","","","1.172","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223683","21.995","0.005","9.9534","0.0018","10.531","0.002","90","","100.631","0.003","90","","2265.9","0.8","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis{[1-(<i>tert</i>-butoxycarbonyl)pyrrolidin-2-yl]methyl} carbonate","","- C21 H36 N2 O7 -","- C21 H36 N2 O7 -","- C84 H144 N8 O28 -","4","1","CI2927","Jing, Lin-Hai","Bis{[1-(<i>tert</i>-butoxycarbonyl)pyrrolidin-2-yl]methyl} carbonate","Acta Crystallographica Section E","2009","65","11","o2610","","10.1107/S1600536809039452","","","0.71073","MoKα","","0.035","0.0303","","","0.0714","0.0734","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223684","26.796","0.005","6.656","0.0013","12.25","0.003","90","","112.23","0.03","90","","2022.4","0.9","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","2-Hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C80 H128 O24 -","8","2","CI2928","Gao, Yan-Qing; Shang, Shi-Bin; Xu, Xu; Rao, Xiao-Ping; Wang, Hong-Xiao","2-Hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid","Acta Crystallographica Section E","2009","65","11","o2748","","10.1107/S1600536809041385","","","0.71073","MoKα","","0.0737","0.0558","","","0.1375","0.1525","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224129","13.944","0.003","6.2551","0.0007","11.882","0.002","90","","93.857","0.017","90","","1034","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-(2,3-Dihydroxybenzylideneamino)-3-methyl-1<i>H</i>-1,2,4-triazol- 5(4<i>H</i>)-one","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C40 H40 N16 O12 -","4","1","BT5118","Tanak, Hasan; Köysal, Yavuz; Yavuz, Metin; Işık, Şamil; Gül, Gülşah","4-(2,3-Dihydroxybenzylideneamino)-3-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2009","65","12","o3039","","10.1107/S1600536809045772","","","0.71073","MoKα","","0.0402","0.0383","","","0.1148","0.1163","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224253","44.409","0.003","7.1777","0.0005","11.2683","0.0008","90","","90.587","0.008","90","","3591.6","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","benzydaminium cephazolinate","3-[(1-Benzyl-1<i>H</i>-indazol-3-yl)oxy]-<i>N</i>,<i>N</i>-\ dimethylpropan-1-aminium 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-\ [(1<i>H</i>-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]octane-2-\ carboxylate","","- C33 H37 N11 O5 S3 -","- C33 H37 N11 O5 S3 -","- C132 H148 N44 O20 S12 -","4","1","HB5219","Asghar, Amina; Iqbal, Mohammad S.; Tahir, M. Nawaz","Mutual prodrug of cephazolin and benzydamin: 3-[(1-benzyl-1<i>H</i>-indazol-3-yl)oxy]-<i>N</i>,<i>N</i>-dimethylpropan-1-aminium 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1<i>H</i>-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate (benzydaminium cephazolinate)","Acta Crystallographica Section E","2009","65","12","o3132","o3133","10.1107/S1600536809047941","","","0.71073","MoKα","","0.1155","0.0504","","","0.0777","0.0945","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224805","14.7728","0.0003","6.2673","0.0001","20.2514","0.0005","90","","99.874","0.001","90","","1847.21","0.07","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","5α-Androst-3-en-17β-yl acetate","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","WN2371","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","5α-Androst-3-en-17β-yl acetate","Acta Crystallographica Section E","2010","66","1","o184","","10.1107/S1600536809053264","","","0.71073","MoKα","","0.0851","0.0449","","","0.0888","0.1024","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225002","21.581","0.011","6.111","0.003","14.08","0.007","90","","99.129","0.008","90","","1833.4","1.6","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","1α,6β,7β,11α,15β-Pentahydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","HG2628","Feng, Chuang; Guo, Lan-Qing; Yan, Fu-Lin; Cui, Jian-Min; Di, Xue-Mei","1α,6β,7β,11α,15β-Pentahydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene","Acta Crystallographica Section E","2010","66","2","o334","","10.1107/S1600536810000619","","","0.71073","MoKα","","0.0463","0.0385","","","0.0763","0.0786","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225193","33.0059","0.0011","4.0639","0.0001","20.6535","0.0007","90","","111.067","0.002","90","","2585.14","0.14","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(<i>E</i>)-<i>N</i>-Benzylidene-4<i>H</i>-1,2,4-triazol-4-amine","","- C9 H8 N4 -","- C9 H8 N4 -","- C108 H96 N48 -","12","3","CI5006","Thenmozhi, M.; Kavitha, T.; Reddy, B. Palakshi; Vijayakumar, V.; Ponnuswamy, M. N.","(<i>E</i>)-<i>N</i>-Benzylidene-4<i>H</i>-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2010","66","3","o558","","10.1107/S1600536810003946","","","0.71073","MoKα","","0.0575","0.0386","","","0.113","0.1325","","","","","","0.991","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225234","13.8044","0.0003","7.7285","0.0002","8.286","0.0002","90","","126.573","0.0013","90","","709.95","0.03","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","dipotassium zinc tetraiodate(V) dihydrate","","- H4 I4 K2 O14 Zn -","- H4 I4 K2 O14 Zn -","- H8 I8 K4 O28 Zn2 -","2","0.5","FJ2279","Fábry, Jan; Krupková, Radmila; Císařová, Ivana","Dipotassium zinc tetraiodate(V) dihydrate","Acta Crystallographica Section E","2010","66","3","i22","i23","10.1107/S1600536810006008","","","0.71069","MoKα","","0.0194","0.0187","","","0.0508","0.0545","","","","","","1.72","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2225435","12.8652","0.0016","8.7884","0.0014","8.3816","0.0012","90","","114.13","0.001","90","","864.9","0.2","296","","296","","","","","","","","","4","C 1 2 1","C 2y","5","","Poly[[diaqua(μ~4~-L-tartrato)(μ~2~-L-tartrato)dizinc(II)] tetrahydrate]","","- C4 H10 O9 Zn -","- C4 H10 O9 Zn -","- C16 H40 O36 Zn4 -","4","1","BQ2195","Liu, Hou-Ting; Lu, Jing; Wang, Da-Qi","Poly[[diaqua(μ~4~-<small>L</small>-tartrato)(μ~2~-<small>L</small>-tartrato)dizinc(II)] tetrahydrate]","Acta Crystallographica Section E","2010","66","4","m374","","10.1107/S1600536810007543","","","0.71073","MoKα","","0.0252","0.0245","","","0.0706","0.071","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225588","41.381","0.003","5.1744","0.0005","8.7442","0.0009","90","","98.315","0.001","90","","1852.6","0.3","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","(2<i>R</i>,3<i>R</i>)-<i>N</i>-(4-Chlorophenyl)-2,3-dihydroxy-<i>N</i>'-(5- phenyl-1,3,4-thiadiazol-2-yl)succinamide","","- C18 H15 Cl N4 O4 S -","- C18 H15 Cl N4 O4 S -","- C72 H60 Cl4 N16 O16 S4 -","4","1","IM2182","Huang, Hui-Ming; Chen, Gen-Lin; Li, Min; Tu, Guo-Gang; Liu, Cheng-Mei","(2<i>R</i>,3<i>R</i>)-<i>N</i>-(4-Chlorophenyl)-2,3-dihydroxy-<i>N</i>'-(5-phenyl-1,3,4-thiadiazol-2-yl)succinamide","Acta Crystallographica Section E","2010","66","4","o765","","10.1107/S1600536810007919","","","0.71073","MoKα","","0.0443","0.0355","","","0.0844","0.091","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225700","18.9564","0.0019","6.9943","0.0007","18.3388","0.0019","90","","91.833","0.002","90","","2430.2","0.4","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","(6<i>S</i>)-2,4-Di-<i>tert</i>-butyl-6-[(4<i>S/i>,5<i>R</i>)- 3-isopropyl-4-methyl-5-phenyloxazolidin-2-yl]phenol","","- C27 H39 N O2 -","- C27 H39 N O2 -","- C108 H156 N4 O8 -","4","1","SJ2720","Campbell, Ian Sean; Edler, Kate L.; Parrott, II, Raleigh W.; Hitchcock, Shawn R.; Ferrence, Gregory M.","(6<i>S</i>)-2,4-Di-<i>tert</i>-butyl-6-[(4<i>S</i>,5<i>R</i>)-3-isopropyl-4-methyl-5-phenyloxazolidin-2-yl]phenol","Acta Crystallographica Section E","2010","66","4","o900","o901","10.1107/S1600536810009074","","","0.71073","MoKα","","","0.0379","","","","0.0973","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225746","22.43","0.002","5.9566","0.0006","13.467","0.0013","90","","106.396","0.001","90","","1726.1","0.3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","4-phenyldiazenyl-2-[(<i>R</i>)-(1-phenylethyl)iminomethyl]phenol","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","ZQ2030","Aritake, Yoshikazu; Watanabe, Yoshimasa; Akitsu, Takashiro","4-Phenyldiazenyl-2-[(<i>R</i>)-(1-phenylethyl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","4","o749","","10.1107/S1600536810007762","","","0.71073","MoKα","","0.0465","0.0404","","","0.1148","0.1225","","","","","","0.956","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226032","13.888","0.003","6.126","0.0012","23.382","0.005","90","","103.19","0.03","90","","1936.8","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Methyl 12-bromodehydroabietate","(1<i>R</i>)-methyl 6-bromo-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a- octahydrophenanthrene-1-carboxylate","","- C21 H29 Br O2 -","- C21 H29 Br O2 -","- C84 H116 Br4 O8 -","4","1","ZQ2035","Gao, Hong; Song, Zhan-Qian; Shang, Shi-Bin","Methyl 12-bromodehydroabietate","Acta Crystallographica Section E","2010","66","5","o1207","","10.1107/S1600536810012201","","","0.71073","MoKα","","0.0705","0.0466","","","0.1104","0.128","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226120","18.1766","0.0008","7.9808","0.0004","16.0347","0.0008","90","","92.703","0.002","90","","2323.47","0.19","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>N</i>,<i>N</i>'-Bis[(2-hydroxyphenyl)(phenyl)methylidene]propane-1,2-diamine","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","HB5392","Black, Robert S.; Billing, David G.; Bartyzel, Agata; Cukrowska, Ewa M.","<i>N</i>,<i>N</i>'-Bis[(2-hydroxyphenyl)(phenyl)methylidene]propane-1,2-diamine","Acta Crystallographica Section E","2010","66","6","o1256","o1257","10.1107/S1600536810015291","","","0.71073","MoKα","","","0.0335","","","","0.0867","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226182","20.8905","0.0008","5.5751","0.0001","13.5639","0.0005","90","","126.297","0.006","90","","1273.21","0.12","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","5-Fluoro-1-[(1<i>S</i>,2<i>R</i>)-4-hydroxy-1,2-<i>O</i>- isopropylidenebutyl]uracil","5-Fluoro-1-[(4<i>S</i>,5<i>R</i>)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3- dioxolan-4-yl]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C11 H15 F N2 O5 -","- C11 H15 F N2 O5 -","- C44 H60 F4 N8 O20 -","4","1","IS2543","Mendoza, Angel; Sosa-Rivadeneyra, Martha; Sartillo-Piscil, Fernando; Quintero, Leticia; Flores-Alamo, Marcos","5-Fluoro-1-[(4<i>S</i>,5<i>R</i>)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2010","66","6","o1317","","10.1107/S1600536810016065","","","1.54184","CuKα","","0.0284","0.0274","","","0.0705","0.0711","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226249","12.7786","0.0006","6.785","0.0004","19.6242","0.001","90","","106.444","0.005","90","","1631.88","0.15","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","5α-androstane-3,17-dione","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","OM2341","Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.","Redetermination of 5α-androstane-3,17-dione","Acta Crystallographica Section E","2010","66","6","o1517","o1518","10.1107/S1600536810019720","","","0.71073","MoKα","","0.0673","0.0398","","","0.0918","0.0984","","","","","","0.961","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226447","19.296","0.004","8.206","0.0016","19.045","0.004","90","","101.27","0.03","90","","2957.5","1.1","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>p</i>-Tolyl 2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl- 4,6-<i>O</i>-benzylidene-1-thio-α-L-idopyranoside","","- C34 H32 O6 S -","- C34 H32 O6 S -","- C136 H128 O24 S4 -","4","1","GK2277","Gainsford, Graeme J.; Tyler, Peter C.; Zubkova, Olga V.","<i>p</i>-Tolyl 2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-4,6-<i>O</i>-benzylidene-1-thio-α-<small>L</small>-idopyranoside","Acta Crystallographica Section E","2010","66","7","o1598","o1599","10.1107/S1600536810020970","","","1.54178","CuKα","","0.1421","0.0682","","","0.1479","0.2013","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226554","15.077","0.003","5.3913","0.001","12.495","0.002","90","","120.662","0.002","90","","873.7","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Dimethyl 2,2'-[ethane-1,2-diylbis(sulfanediyl)]dibenzoate","","- C18 H18 O4 S2 -","- C18 H18 O4 S2 -","- C36 H36 O8 S4 -","2","0.5","JH2166","Hu, Xiaoming; Yu, Jianghua; Yuan, Limin","Dimethyl 2,2'-[ethane-1,2-diylbis(sulfanediyl)]dibenzoate","Acta Crystallographica Section E","2010","66","7","o1675","","10.1107/S1600536810022403","","","0.71073","MoKα","","0.0335","0.0316","","","0.0797","0.0819","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226561","22.7438","0.0015","13.3986","0.0009","16.3266","0.001","90","","101.324","0.007","90","","4878.4","0.6","115","2","115","2","","","","","","","","6","C 1 2 1","C 2y","5","","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}methanolmanganese(III)) perchlorate hemihydrate","","- C19 H25 Cl Mn N2 O10.5 -","- C19 H24 Cl Mn N2 O10 -","- C152 H192 Cl8 Mn8 N16 O80 -","8","2","JJ2037","Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}methanolmanganese(III)) perchlorate hemihydrate","Acta Crystallographica Section E","2010","66","7","m851","m852","10.1107/S1600536810023366","","","0.71073","MoKα","","0.061","0.0479","","","0.1221","0.1269","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226782","23.725","0.005","4.5109","0.0009","8.2171","0.0017","90","","107.173","0.003","90","","840.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Propane-1,3-diyl bis(4-aminobenzoate)","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","0.5","BT5289","Raza Shah, Muhammad; Ng, Seik Weng","Propane-1,3-diyl bis(4-aminobenzoate)","Acta Crystallographica Section E","2010","66","8","o1940","","10.1107/S1600536810026024","","","0.71073","MoKα","","0.0668","0.0434","","","0.0987","0.1091","","","","","","0.961","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226910","11.4728","0.0005","7.1556","0.0004","11.7882","0.0007","90","","111.23","0.003","90","","902.07","0.09","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 1-{4-[(<i>S</i>)-2-(methoxycarbonyl)pyrrolidin-1-yl]- 3,6-dioxocyclohexa-1,4-dien-1-yl}pyrrolidine-2-carboxylate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C36 H44 N4 O12 -","2","0.5","HB5550","Garden, Simon J.; Skakle, Janet M. S.; Tiekink, Edward R. T.; Wardell, James L.","Methyl 1-{4-[(<i>S</i>)-2-(methoxycarbonyl)pyrrolidin-1-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl}pyrrolidine-2-carboxylate","Acta Crystallographica Section E","2010","66","8","o2071","","10.1107/S1600536810027947","","","0.71073","MoKα","","0.054","0.038","","","0.105","0.136","","","","","","1.23","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227169","26.8973","0.0004","7.907","0.0001","24.7763","0.0005","90","","102.444","0.0006","90","","5145.56","0.14","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","Pentafluorophenyl (3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-{[(3<i>R</i>,4<i>R</i>,5<i>S</i>)-5- azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxamido]methyl}-3,4- dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate","","- C22 H25 F5 N4 O9 -","- C22 H25 F5 N4 O9 -","- C176 H200 F40 N32 O72 -","8","2","BH2308","Simone, Michela I.; Edwards, Alison A.; Parker, Samuel G.; Tranter, George E.; Fleet, George W. J.; Watkin, David J.","Pentafluorophenyl (3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-{[(3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxamido]methyl}-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate","Acta Crystallographica Section E","2010","66","11","o2699","o2700","10.1107/S1600536810038559","","","0.71073","MoKα","","0.064","0.0565","","0.1592","0.1534","0.1592","","","","","","0.9857","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227491","22.216","0.003","11.7576","0.0015","9.6335","0.0013","90","","106.652","0.002","90","","2410.8","0.6","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","3-Methyl-5α-cholest-2-ene","(1<i>S</i>,2<i>S</i>,7<i>R</i>,10<i>R</i>,11<i>R</i>,14<i>R</i>,15<i>R</i>)- 2,5,10,15-tetramethyl-14-[(2<i>R</i>)-6-methylheptan-2- yl]tetracyclo[8.7.0.0^2,7^.0^11,15^]heptadec-4-ene","","- C28 H48 -","- C28 H48 -","- C112 H192 -","4","1","HB5593","Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Methyl-5α-cholest-2-ene","Acta Crystallographica Section E","2010","66","9","o2265","","10.1107/S160053681003117X","","","0.71073","MoKα","","0.064","0.047","","","0.112","0.121","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227677","22.885","0.005","9.34","0.002","7.225","0.0013","90","","101.28","0.006","90","","1514.5","0.5","300","2","300","2","","","","","","","","3","C 1 2 1","C 2y","5","AB-Synthon","(1<i>S</i>,2<i>S</i>,6<i>S</i>,9<i>S</i>)-\ 6-Methyl-5-oxobicyclo[4.4.0]decane-2,9-diyl diacetate","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","IS2600","Aav, Riina; Lippur, Kristin; Lopp, Margus; Werner, Franz","(1<i>S</i>,2<i>S</i>,6<i>S</i>,9<i>S</i>)-6-Methyl-5-oxobicyclo[4.4.0]decane-2,9-diyl diacetate","Acta Crystallographica Section E","2010","66","10","o2584","","10.1107/S1600536810036639","","","0.71073","MoKα","","0.0439","0.0374","","","0.094","0.0991","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227778","18.8909","0.0003","6.8398","0.0001","13.4174","0.0002","90","","107.054","0.001","90","","1657.43","0.04","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","odorine","(<i>S</i>)-<i>N</i>-[(<i>R</i>)-1-cinnamoylpyrrolidin-2-yl]-2-methylbutanamide","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","LH5122","Fun, Hoong-Kun; Chantrapromma, Suchada; Yodsaoue, Orapun; Karalai, Chatchanok","Absolute configuration of odorine","Acta Crystallographica Section E","2010","66","9","o2437","o2438","10.1107/S1600536810034227","","","1.54178","CuKα","","0.0327","0.0326","","","0.0961","0.0963","","","","","","1.157","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227811","20.18","0.007","6.637","0.002","15.316","0.006","90","","113.288","0.009","90","","1884.2","1.1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Quinine sulfate dihydrate","bis{(1<i>S</i>,2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-[(<i>R</i>)-hydroxy(6-methoxy- 4-quinolyl)methyl]-5-vinylquinuclidinium} sulfate dihydrate","","- C40 H54 N4 O10 S -","- C40 H54 N4 O10 S -","- C80 H108 N8 O20 S2 -","2","0.5","LX2164","Mangwala Kimpende, Peter; Van Meervelt, Luc","Redetermination of bis{(1<i>S</i>,2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-[(<i>R</i>)-hydroxy(6-methoxy-4-quinolyl)methyl]-5-vinylquinuclidinium} sulfate dihydrate","Acta Crystallographica Section E","2010","66","9","o2443","o2444","10.1107/S1600536810034288","","","1.54178","CuKα","","0.0416","0.039","","","0.0938","0.0954","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227926","12.8475","0.0016","12.5439","0.0016","8.6095","0.0011","90","","94.906","0.002","90","","1382.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[hexa-μ-acetato-bis(dimethyl sulfoxide)trimanganese(II)]","","- C16 H30 Mn3 O14 S2 -","- C16 H30 Mn3 O14 S2 -","- C32 H60 Mn6 O28 S4 -","2","0.5","PV2332","Wan, Chong-Qing; Xiao, Nai-You; Wang, Zi-Jia","Poly[hexa-μ-acetato-bis(dimethyl sulfoxide)trimanganese(II)]","Acta Crystallographica Section E","2010","66","11","m1478","","10.1107/S1600536810042558","","","0.71073","MoKα","","0.0215","0.021","","","0.0559","0.0563","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228057","8.5867","0.0007","9.5461","0.0007","6.7504","0.0006","90","","97.572","0.003","90","","548.5","0.08","290","1","290","1","","","","","","","","4","C 1 2 1","C 2y","5","","caesium chromium(III) heptathiodiphosphate(V)","","- Cr Cs P2 S7 -","- Cr Cs P2 S7 -","- Cr2 Cs2 P4 S14 -","2","0.5","WM2382","Kim, Kyounghee; Na, Jooran; Yun, Hoseop","The two-dimensional thiophosphate CsCrP~2~S~7~","Acta Crystallographica Section E","2010","66","9","i65","","10.1107/S1600536810030655","","","0.71073","MoKα","","","0.0288","","","","0.0732","","","","","","1.178","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228734","14.668","0.005","7.7356","0.0015","14.72","0.003","90","","104.11","0.04","90","","1619.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 3-(2-furylmethylidene)carbazate","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C56 H64 N16 O24 -","8","2","HB5763","Li, Yu-Feng","Methyl 3-(2-furylmethylidene)carbazate","Acta Crystallographica Section E","2011","67","1","o64","","10.1107/S1600536810051019","","","0.71073","MoKα","","0.0906","0.0716","","","0.1692","0.1858","","","","","","0.89","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228794","16.978","0.003","11.405","0.002","11.164","0.002","90","","108.04","0.03","90","","2055.5","0.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis(2-{2-[2-(benzylcarbamoyl)phenoxy]acetamido}ethyl)ammonium nitrate ethanol disolvate","","- C40 H52 N6 O11 -","- C40 H52 N6 O11 -","- C80 H104 N12 O22 -","2","0.5","KP2291","Liu, Jiaji; Tang, Xiaoliang; Lu, Zhengdan; Zhang, Guolin; Liu, Weisheng","Bis(2-{2-[2-(benzylcarbamoyl)phenoxy]acetamido}ethyl)ammonium nitrate ethanol disolvate","Acta Crystallographica Section E","2011","67","1","o203","o204","10.1107/S1600536810052670","","","0.71073","MoKα","","0.0922","0.063","","","0.1668","0.1904","","","","","","1.031","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228891","23.807","0.002","11.9688","0.0012","12.0192","0.0008","90","","95.672","0.005","90","","3408","0.5","160","1","160","1","","","","","","","","4","C 1 2 1","C 2y","5","(<i>E</i>)-3-(1-naphthylamino)methylene-(+)-camphor","(<i>E</i>)-1,7,7-trimethyl-3-[(1- naphthylamino)methylidene]bicyclo[2.2.1]heptan-2-one","","- C21 H23 N O -","- C21 H23 N O -","- C168 H184 N8 O8 -","8","2","SU2235","Pastrán, Jesús; Ineichen, Emilio; Agrifoglio, Giuseppe; Linden, Anthony; Dorta, Romano","(<i>E</i>)-3-(1-Naphthylamino)methylene-(+)-camphor","Acta Crystallographica Section E","2011","67","1","o188","o189","10.1107/S1600536810052487","","","0.71073","MoKα","","0.0949","0.0592","","","0.1354","0.1553","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228925","22.8919","0.0004","6.8676","0.0001","17.2789","0.0012","90","","111.307","0.008","90","","2530.8","0.2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","3'-O-Acetyl-2'-deoxyuridine","(2<i>R</i>,3<i>S</i>,5<i>R</i>)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)- 2-(hydroxymethyl)tetrahydrofuran-3-yl acetate","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C88 H112 N16 O48 -","8","2","ZL2331","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.","3'-<i>O</i>-Acetyl-2'-deoxyuridine","Acta Crystallographica Section E","2011","67","1","o3","o4","10.1107/S160053681004938X","","","1.54187","CuKα","","0.0952","0.0483","","","0.1036","0.1486","","","","","","1.104","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229126","21.384","0.005","6.7994","0.0016","13.096","0.003","90","","96.796","0.003","90","","1890.8","0.8","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,3,4-tri-<i>O</i>-acetyl-β-L-arabinopyranosyl trichloroacetimidate","","- C13 H16 Cl3 N O8 -","- C13 H16 Cl3 N O8 -","- C52 H64 Cl12 N4 O32 -","4","1","JH2255","Sun, Zu-Li","2,3,4-Tri-<i>O</i>-acetyl-β-<small>L</small>-arabinopyranosyl trichloroacetimidate","Acta Crystallographica Section E","2011","67","2","o454","","10.1107/S1600536811002005","","","0.71073","MoKα","","0.0411","0.0365","","","0.0834","0.0865","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229394","17.4054","0.0004","8.7266","0.0002","15.0105","0.0004","90","","122.219","0.002","90","","1928.87","0.09","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl <i>N</i>-{(1<i>S</i>)-1-[(2,4-dihydroxybenzylidene)hydrazinecarbonyl]- 2-hydroxyethyl}carbamate ethanol monosolvate","","- C17 H27 N3 O7 -","- C17 H27 N3 O7 -","- C68 H108 N12 O28 -","4","1","HB5793","Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","<i>tert</i>-Butyl <i>N</i>-{(1<i>S</i>)-1-[(2,4-dihydroxybenzylidene)hydrazinecarbonyl]-2-hydroxyethyl}carbamate ethanol monosolvate","Acta Crystallographica Section E","2011","67","3","o581","o582","10.1107/S1600536811003795","","","0.71073","MoKα","","0.038","0.036","","","0.098","0.099","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229526","42.976","0.007","5.5763","0.0009","16.072","0.003","90","","92.618","0.002","90","","3847.6","1.1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","[(2<i>R</i>,5<i>R</i>,6<i>S</i>,9<i>R</i>)-6-Isopropyl-9-methyl-1,4- dioxaspiro[4.5]decan-2-yl]methyl 4-bromobenzoate","","- C20 H27 Br O4 -","- C20 H27 Br O4 -","- C160 H216 Br8 O32 -","8","2","TK2718","Kiessling, Anthony; Zeller, Matthias","[(2<i>R</i>,5<i>R</i>,6<i>S</i>,9<i>R</i>)-6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]decan-2-yl]methyl 4-bromobenzoate","Acta Crystallographica Section E","2011","67","3","o733","o734","10.1107/S1600536811006428","","","0.71073","MoKα","","0.0849","0.0579","","","0.1324","0.1481","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229816","11.755","0.003","20.653","0.005","13.202","0.003","90","","96.935","0.004","90","","3181.7","1.3","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","{2-(4-Hydroxyphenyl)-2-[(3-methoxy-2-oxidobenzylidene)amino- κ^2^<i>O</i>^2^,<i>N</i>]propanoato-κ<i>O</i>}(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","","- C29 H27 Cu N3 O7 -","- C29 H27 Cu N3 O7 -","- C116 H108 Cu4 N12 O28 -","4","1","RN2083","Pu, Xuewei; Li, Lianzhi; Dong, Jianfang; Jing, Buqin","{2-(4-Hydroxyphenyl)-2-[(3-methoxy-2-oxidobenzylidene)amino-κ^2^<i>O</i>^2^,<i>N</i>]propanoato-κ<i>O</i>}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","Acta Crystallographica Section E","2011","67","4","m465","m466","10.1107/S1600536811009627","","","0.71073","MoKα","","0.0963","0.0711","","","0.175","0.2019","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229927","11.335","0.002","5.4467","0.0011","26.508","0.005","90","","101.4","0.03","90","","1604.3","0.6","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C56 H88 N8 O24 -","8","2","BT5507","Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","Acta Crystallographica Section E","2011","67","5","o1116","o1117","10.1107/S1600536811013055","","","1.54178","CuKα","","0.035","0.0333","","","0.0876","0.0911","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230007","24.3084","0.0016","7.7235","0.0005","26.6479","0.0018","90","","114.292","0.001","90","","4560.1","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]‒methanol (3/1)","13-methyl-6,7,8,9,11,12,13,14,15,16- decahydrocyclopenta[<i>a</i>]phenanthren-3-ol‒methanol (3/1)","","- C18.33333 H25.33333 O1.33333 -","- C18.3333 H25.3333 O1.33333 -","- C220 H304 O16 -","12","3","HB5844","Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T.","17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]‒methanol (3/1)","Acta Crystallographica Section E","2011","67","5","o1160","o1161","10.1107/S1600536811013651","","","0.71073","MoKα","","0.0717","0.052","","","0.1282","0.141","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2230042","13.0197","0.0002","6.746","0.0001","32.0674","0.0005","90","","100.645","0.0004","90","","2768.04","0.07","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","3β-acetoxyolean-11,12-aziridin-28,13-β-olide","","- C32 H49 N O4 -","- C32 H49 N O4 -","- C128 H196 N4 O16 -","4","1","IS2699","Tan, Wen Nee; Wong, Keng Chong; Khairuddean, Melati; Hemamalini, Madhukar; Fun, Hoong-Kun","Absolute configuration of 3β-acetoxyolean-11,12-aziridin-28,13-β-olide","Acta Crystallographica Section E","2011","67","5","o1220","","10.1107/S1600536811014875","","","1.54178","CuKα","","0.0325","0.0325","","","0.0871","0.0872","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230236","19.035","0.002","6.5908","0.0007","14.3001","0.0015","90","","129.454","0.001","90","","1385.2","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,6-Bis[(4<i>R</i>,5<i>R</i>)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","","- C35 H27 N3 O2 -","- C35 H27 N3 O2 -","- C70 H54 N6 O4 -","2","0.5","BT5522","Lin, Ning; Deng, Yan-Qiu; Chen, Miao-Miao; Luo, Ren-Shi; Ng, Seik Weng","2,6-Bis[(4<i>R</i>,5<i>R</i>)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","Acta Crystallographica Section E","2011","67","6","o1344","","10.1107/S1600536811014668","","","0.71073","MoKα","","0.0371","0.0337","","","0.0952","0.0994","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230274","27.248","0.004","5.8241","0.0008","14.275","0.002","90","","94.192","0.003","90","","2259.3","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","(2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-(benzhydrylcarbamoyl)-6- methylmorpholine-4-carboxylate","(2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-[(diphenylmethyl)carbamoyl]-6-methylmorpholine-4-carboxylate","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","CV5082","Wang, Haiyang; Xia, Guangxin; Liu, Xuejun; Shen, Jingkang","(2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-(benzhydrylcarbamoyl)-6-methylmorpholine-4-carboxylate","Acta Crystallographica Section E","2011","67","6","o1437","","10.1107/S1600536811017764","","","0.71073","MoKα","","0.0547","0.0476","","","0.1048","0.1093","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230417","13.089","0.0014","7.667","0.0007","14.69","0.0014","90","","106.671","0.001","90","","1412.2","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","4-Bromoanilinium hydrogen phthalate","4-Bromoanilinium 2-carboxybenzoate","","- C14 H12 Br N O4 -","- C14 H12 Br N O4 -","- C56 H48 Br4 N4 O16 -","4","1","LH5245","Liang, Zu Pei","4-Bromoanilinium hydrogen phthalate","Acta Crystallographica Section E","2011","67","6","o1430","","10.1107/S1600536811017727","","","0.71073","MoKα","","0.0805","0.0537","","","0.1175","0.1266","","","","","","0.939","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230551","15.309","0.002","4.5653","0.0006","11.8332","0.0015","90","","113.253","0.007","90","","759.85","0.18","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-{2-[2-(4-Formylphenoxy)ethoxy]ethoxy}benzaldehyde","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","0.5","ZL2368","Ma, Zhen; Cao, Yiqun","4-{2-[2-(4-Formylphenoxy)ethoxy]ethoxy}benzaldehyde","Acta Crystallographica Section E","2011","67","6","o1503","","10.1107/S1600536811018150","","","0.71073","MoKα","","0.0448","0.0364","","","0.0964","0.1014","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230995","18.0155","0.0003","7.6776","0.0001","18.1506","0.0004","90","","109.324","0.001","90","","2369.08","0.07","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","(9<i>S</i>,13<i>R</i>,14<i>S</i>)-7,8-Didehydro-4-(4-fluorobenzyloxy)-3,7- dimethoxy-17-methylmorphinan-6-one sesquihydrate","","- C26 H31 F N O5.5 -","- C26 H31 F N O5.5 -","- C104 H124 F4 N4 O22 -","4","1","BH2361","Zheng, Xing-Liang; Jiang, Ning-Fei; Luo, Dan; Gao, Hong-Sheng; Ding, Ai-Shun","(9<i>S</i>,13<i>R</i>,14<i>S</i>)-7,8-Didehydro-4-(4-fluorobenzyloxy)-3,7-dimethoxy-17-methylmorphinan-6-one sesquihydrate","Acta Crystallographica Section E","2011","67","8","o1988","","10.1107/S1600536811026183","","","1.54178","CuKα","","0.0282","0.0281","","","0.0807","0.0809","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231497","19.4238","0.0007","5.1275","0.0002","22.4815","0.0008","90","","114.319","0.002","90","","2040.38","0.13","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl <i>N</i>-[3-hydroxy-1-phenyl-4-(pyrimidin-2- ylsulfanyl)butan-2-yl]carbamate monohydrate","","- C19 H27 N3 O4 S -","- C19 H27 N3 O4 S -","- C76 H108 N12 O16 S4 -","4","1","HB6348","Gomes, Claudia R. B.; Vasconcelos, Thatyana R. A.; Vellasco, Jr, Walcimar T.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>tert</i>-Butyl <i>N</i>-[3-hydroxy-1-phenyl-4-(pyrimidin-2-ylsulfanyl)butan-2-yl]carbamate monohydrate","Acta Crystallographica Section E","2011","67","9","o2313","o2314","10.1107/S1600536811031850","","","0.71073","MoKα","","0.071","0.0549","","","0.1037","0.1124","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231626","24.5822","0.0012","6.1121","0.0003","16.5557","0.001","90","","121.119","0.006","90","","2129.5","0.2","120.2","","120","","","","","","","","","5","C 1 2 1","C 2y","5","4,4'-Diiodo-2,2'-[(3a<i>R</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","2-({3-[(2-hydroxy-5-iodophenyl)methyl]-octahydro-1<i>H</i>- 1,3-benzodiazol-1-yl}methyl)-4-iodophenol","","- C21 H24 I2 N2 O2 -","- C21 H24 I2 N2 O2 -","- C84 H96 I8 N8 O8 -","4","1","NC2238","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","4,4'-Diiodo-2,2'-[(3a<i>R</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","Acta Crystallographica Section E","2011","67","9","o2256","","10.1107/S1600536811030054","","","1.5418","CuKα","","0.043","0.0401","","","0.1025","0.1063","","","","","","1.3","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231917","33.514","0.003","5.7514","0.0006","7.7172","0.0008","90","","93.808","0.007","90","","1484.2","0.3","126","2","126","2","","","","","","","","5","C 1 2 1","C 2y","5","","(<i>R</i>)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","HG5095","Caracelli, Ignez; Coelho, Daniel C. S.; Olivato, Paulo R.; Correra, Thiago C.; Rodrigues, Alessandro; Tiekink, Edward R. T.","(<i>R</i>)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone","Acta Crystallographica Section E","2011","67","10","o2755","o2756","10.1107/S160053681103858X","","","0.71073","MoKα","","0.0807","0.066","","","0.1687","0.1795","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232350","73.342","0.004","9.6065","0.0004","11.8737","0.0007","90","","92.432","0.004","90","","8358.2","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2- carboxylate 0.2-hydrate","","- C19 H14.4 Cl N O3.2 -","- C19 H14 Cl N O3.2 -","- C380 H280 Cl20 N20 O64 -","20","5","IM2327","Raja, Sadiya; Bolte, Michael","(1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2-carboxylate 0.2-hydrate","Acta Crystallographica Section E","2011","67","11","o2991","","10.1107/S1600536811042358","","","0.71073","MoKα","","0.0774","0.0552","","","0.1353","0.1443","","","","","","0.9","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2232431","27.282","0.003","9.4315","0.001","11.5884","0.001","90","","110.729","0.001","90","","2788.8","0.5","86","0.5","86","0.5","101.3","","","","","","","4","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl (2<i>S</i>)-2-{3-[(<i>R</i>)-bis(<i>tert</i>- butoxycarbonyl)amino]-2-oxopiperidin-1-yl}-3-methylbutanoate","","- C24 H42 N2 O7 -","- C24 H42 N2 O7 -","- C96 H168 N8 O28 -","4","1","PV2462","Kangas, Michael J.; Fronczek, Frank R.; Watkins, Steven F.","<i>tert</i>-Butyl (2<i>S</i>)-2-{3-[(<i>R</i>)-bis(<i>tert</i>-butoxycarbonyl)amino]-2-oxopiperidin-1-yl}-3-methylbutanoate","Acta Crystallographica Section E","2011","67","11","o3057","","10.1107/S1600536811043212","","","1.54178","CuKα","","0.0265","0.0262","","","0.0704","0.0707","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232463","41.128","0.002","5.7205","0.0005","18.9783","0.0011","90","","90.94","0.004","90","","4464.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","(<i>S</i>)-<i>N</i>-[1-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2- phenylethyl]-4-methylbenzenesulfonamide","","- C24 H23 N3 O3 S2 -","- C24 H23 N3 O3 S2 -","- C192 H184 N24 O24 S16 -","8","2","SU2319","Syed, Tayyaba; Hameed, Shahid; Jones, Peter G.","(<i>S</i>)-<i>N</i>-[1-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2875","o2876","10.1107/S1600536811040669","","","1.54184","CuKα","","0.0353","0.031","","","0.078","0.08","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232841","10.495","0.005","6.283","0.003","19.247","0.01","90","","97.029","0.008","90","","1259.6","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C48 H80 N8 O12 -","4","1","LH5363","Yang, Jie","<i>tert</i>-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate","Acta Crystallographica Section E","2011","67","12","o3492","","10.1107/S160053681105046X","","","0.71073","MoKα","","0.0542","0.0499","","","0.1017","0.1045","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233000","39.151","0.003","10.71","0.0007","12.7446","0.0009","90","","106.113","0.002","90","","5134","0.6","183","2","183","2","","","","","","","","7","C 1 2 1","C 2y","5","","Di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)- 1κ^4^<i>N</i>,3κ^4^<i>N</i>-bis(perchlorato-2κ^2^<i>O</i>,<i>O</i>')- 2-sodium-1,3-dizinc perchlorate","","- C36 H77 Cl3 N8 Na O16 Zn2 -","- C36 H77 Cl3 N8 Na O16 Zn2 -","- C144 H308 Cl12 N32 Na4 O64 Zn8 -","4","1","XU5351","Ou, Guang-Chuan; Ng, Seik Weng","Di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)-1κ^4^<i>N</i>,3κ^4^<i>N</i>-bis(perchlorato-2κ^2^<i>O</i>,<i>O</i>')-2-sodium-1,3-dizinc perchlorate","Acta Crystallographica Section E","2011","67","12","m1664","","10.1107/S1600536811045363","","","0.71073","MoKα","","0.0977","0.062","","","0.1475","0.1785","","","","","","1.124","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233189","20.331","0.009","5.07","0.003","17.58","0.009","90","","108.489","0.008","90","","1718.6","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","(<i>S</i>)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","HG5150","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(<i>S</i>)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate","Acta Crystallographica Section E","2012","68","1","o177","","10.1107/S1600536811052767","","","0.71073","MoKα","","0.1413","0.0773","","","0.1801","0.2186","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233515","15.6732","0.0009","7.4208","0.0004","11.0544","0.0006","90","","103.169","0.006","90","","1251.9","0.12","180","2","180","2","","","","","","","","3","C 1 2 1","C 2y","5","","9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b- hexahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","IM2349","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Mellouki, Fouad; Berraho, Moha","9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","2","o386","","10.1107/S1600536812000165","","","0.71073","MoKα","","0.0311","0.0297","","","0.0789","0.0799","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233688","30.5551","0.0008","5.3132","0.0001","17.8757","0.0005","90","","98.267","0.002","90","","2871.88","0.12","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2<i>H</i>- furo[2,3-<i>d</i>][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1<i>H</i>- 1,3-benzodiazol-2-one","","- C27 H38 N2 O11 -","- C27 H38 N2 O11 -","- C108 H152 N8 O44 -","4","1","XU5430","Lakhrissi, Brahim; Massoui, Mohamed; Ramli, Youssef; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2012","68","2","o351","","10.1107/S160053681105625X","","","0.71073","MoKα","","0.0658","0.0436","","","0.1168","0.1335","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233823","11.9274","0.0011","5.3995","0.0005","14.8194","0.0014","90","","111.692","0.001","90","","886.81","0.14","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","<i>catena</i>-Poly[(diaquacadmium)- μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","","- C16 H16 Cd O10 S -","- C16 H16 Cd O10 S -","- C32 H32 Cd2 O20 S2 -","2","0.5","HB6572","Ma, Zhan-Ling","<i>catena</i>-Poly[(diaquacadmium)-μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2012","68","3","m267","","10.1107/S160053681200445X","","","0.71073","MoKα","","0.0207","0.0199","","","0.0436","0.0439","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233906","18.033","0.004","9.3127","0.0019","11.061","0.002","90","","123.58","0.03","90","","1547.5","0.8","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","1,2-Bis[(3,6,9-trimethyl-3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10,12,12a- dodecahydropyrano[4,3-<i>j</i>][1,2]benzodioxepin-4-yl)oxy]ethane","","- C32 H50 O10 -","- C32 H50 O10 -","- C64 H100 O20 -","2","0.5","JJ2118","Jia, Liwei; Yue, Zhengyu; Lv, Dongying; Gao, Po","1,2-Bis[(3,6,9-trimethyl-3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10,12,12a-dodecahydropyrano[4,3-<i>j</i>][1,2]benzodioxepin-4-yl)oxy]ethane","Acta Crystallographica Section E","2012","68","3","o661","","10.1107/S1600536812005089","","","0.71073","MoKα","","0.0585","0.042","","","0.1075","0.1286","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234316","12.159","0.002","4.5893","0.0009","17.666","0.004","90","","104.98","0.03","90","","952.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[μ~2~-aqua-bis[μ~4~-2-(1<i>H</i>-1,2,3-benzotriazol-1- yl)acetato]dipotassium]","","- C8 H7 K N3 O2.5 -","- C8 H7 K N3 O2.5 -","- C32 H28 K4 N12 O10 -","4","1","LH5422","Liu, Qiong","Poly[μ~2~-aqua-bis[μ~4~-2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetato]dipotassium]","Acta Crystallographica Section E","2012","68","4","m379","","10.1107/S1600536812008963","","","0.71073","MoKα","","0.1053","0.0693","","","0.1231","0.1354","","","","","","1.054","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2234909","16.696","0.0016","5.933","0.0003","13.524","0.0012","90","","117.804","0.003","90","","1184.99","0.17","298","","298","","","","","","","","","6","C 1 2 1","C 2y","5","","Aquabis[<i>N</i>'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5-)- κ^2^<i>N</i>',<i>O</i>]sodium(I)","","- C20 H21 N4 Na O5 S4 -","- C20 H21 N4 Na O5 S4 -","- C40 H42 N8 Na2 O10 S8 -","2","0.5","BQ2359","Bouchameni, Chahra; Beghidja, Chahrazed; Beghidja, Adel; Boutebdja, Mehdi","Aquabis[<i>N</i>'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5{-})-κ^2^<i>N</i>',<i>O</i>]sodium(I)","Acta Crystallographica Section E","2012","68","6","m827","m828","10.1107/S1600536812023239","","","0.71073","MoKα","","0.0618","0.0467","","","0.1042","0.1262","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235005","35.7118","0.0006","6.17734","0.00011","7.48599","0.00015","90","","93.0377","0.0015","90","","1649.12","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","(2<i>R</i>,3<i>R</i>)-3-<i>O</i>-Benzoyl-<i>N</i>-benzyltartramide","(2<i>R</i>,3<i>R</i>)-4-benzylamino-2-benzoyloxy-3-hydroxy-4-oxobutanoic acid","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","GK2491","Madura, Izabela D.; Zachara, Janusz; Bernaś, Urszula; Hajmowicz, Halina; Synoradzki, Ludwik","(2<i>R</i>,3<i>R</i>)-3-<i>O</i>-Benzoyl-<i>N</i>-benzyltartramide","Acta Crystallographica Section E","2012","68","6","o1891","o1892","10.1107/S1600536812022933","","","1.5418","CuKα","","0.0265","0.0264","","","0.0709","0.0709","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235470","19.345","0.003","6.487","0.0013","21.145","0.003","90","","97.617","0.014","90","","2630.1","0.8","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl α-<i>L</i>-rhamnosyl-(1→2)[α-<i>L</i>-rhamnosyl- (1→3)]-α-<i>L</i>-rhamnoside pentahydrate","","- C19 H44 O18 -","- C19 H44 O18 -","- C76 H176 O72 -","4","1","HB6841","Eriksson, Lars; Widmalm, Göran","Methyl α-<small>L</small>-rhamnosyl-(1\ρightarrow 2)[α-<small>L</small>-rhamnosyl-(1\ρightarrow 3)]-α-<small>L</small>-rhamnoside pentahydrate: synchrotron study","Acta Crystallographica Section E","2012","68","7","o2221","o2222","10.1107/S1600536812027390","","","0.897","synchrotron","","0.0365","0.0334","","","0.0859","0.0867","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235509","9.7821","0.0004","7.962","0.0003","11.5472","0.0004","90","","109.837","0.002","90","","845.99","0.06","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4<i>R</i>,5<i>S</i>)-4-Hydroxymethyl-5-[(methylsulfanyl)methyl]- 1,3-oxazolidin-2-one","","- C6 H11 N O3 S -","- C6 H11 N O3 S -","- C24 H44 N4 O12 S4 -","4","1","IM2379","Gainsford, Graeme J.; Clinch, Keith","(4<i>R</i>,5<i>S</i>)-4-Hydroxymethyl-5-[(methylsulfanyl)methyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","7","o2082","","10.1107/S1600536812025809","","","0.71073","MoKα","","0.0232","0.0223","","","0.0591","0.0597","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235682","42.077","0.004","5.9274","0.0005","12.0737","0.0011","90","","105.665","0.009","90","","2899.4","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-<i>N</i>-phenyl- 5-[4-(piperidin-1-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide dimethylformamide hemisolvate","","- C32.5 H36.5 N7.6 O0.5 S -","- C32.5 H36.5 N7.5 O0.5 S -","- C130 H146 N30 O2 S4 -","4","1","XU5554","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-<i>N</i>-phenyl-5-[4-(piperidin-1-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide dimethylformamide hemisolvate","Acta Crystallographica Section E","2012","68","7","o1985","","10.1107/S1600536812024488","","","1.54184","CuKα","","0.0925","0.0911","","","0.2132","0.2139","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235830","13.5714","0.001","8.4621","0.0006","11.4547","0.0009","90","","93.83","0.002","90","","1312.55","0.17","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>N</i>'-(2,4-Dinitrophenyl)benzohydrazide","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","HB6871","Saeed, Aamer; Arshad, Ifzan; Flörke, Ulrich","<i>N</i>'-(2,4-Dinitrophenyl)benzohydrazide","Acta Crystallographica Section E","2012","68","8","o2418","","10.1107/S1600536812030619","","","0.71073","MoKα","","0.0313","0.0297","","","0.0815","0.083","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235873","20.5577","0.0015","5.5281","0.0003","13.1315","0.0009","90","","118.477","0.009","90","","1311.77","0.19","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-[(<i>E</i>)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","IS5154","Yu, Hong; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei","2-[(<i>E</i>)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol","Acta Crystallographica Section E","2012","68","8","o2401","","10.1107/S1600536812027419","","","0.71073","MoKα","","0.0451","0.0415","","","0.1221","0.1249","","","","","","1.165","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236025","19.3402","0.0014","5.9467","0.0003","11.1761","0.0009","90","","116.263","0.01","90","","1152.68","0.17","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)","","- C22 H23 Cl N6 O6 -","- C22 H23 Cl N6 O6 -","- C44 H46 Cl2 N12 O12 -","2","0.5","XU5583","Gao, Shan; Ng, Seik Weng","2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)","Acta Crystallographica Section E","2012","68","8","o2475","","10.1107/S1600536812031558","","","0.71073","MoKα","","0.0604","0.0467","","","0.1072","0.116","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236174","14.6277","0.0011","9.8273","0.0003","13.0879","0.001","90","","133.49","0.013","90","","1364.9","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}zinc","","- C28 H18 Br4 F2 N2 O2 Zn -","- C28 H18 Br4 F2 N2 O2 Zn -","- C56 H36 Br8 F4 N4 O4 Zn2 -","2","0.5","DS2215","Zhang, Dingjun; Yu, Hong; Jin, Yue-Bao; Lei, Ke-Wei","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc","Acta Crystallographica Section E","2012","68","11","m1424","","10.1107/S1600536812043930","","","0.71073","MoKα","","0.0172","0.0167","","","0.0404","0.0406","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236207","11.5904","0.0013","7.057","0.0008","16.4519","0.0018","90","","107.445","0.002","90","","1283.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","5-[(<i>Z</i>)-2,3-Dimethoxybenzylidene]-1,2,4- triazolo[3,2-<i>b</i>][1,3]thiazol-6(5<i>H</i>)-one","","- C13 H11 N3 O3 S -","- C13 H11 N3 O3 S -","- C52 H44 N12 O12 S4 -","4","1","FY2070","Guo, Lu; Lin, Gao-Tong; Wang, Jia; Ni, Li; Ge, Ren-Shan","5-[(<i>Z</i>)-2,3-Dimethoxybenzylidene]-1,2,4-triazolo[3,2-<i>b</i>][1,3]thiazol-6(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3139","","10.1107/S1600536812042559","","","0.71073","MoKα","","0.0544","0.0499","","","0.1343","0.1353","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236276","14.6921","0.0014","9.7598","0.0003","13.1195","0.0013","90","","133.608","0.017","90","","1362.2","0.4","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}cobalt(II)","","- C28 H18 Br4 Co F2 N2 O2 -","- C28 H18 Br4 Co F2 N2 O2 -","- C56 H36 Br8 Co2 F4 N4 O4 -","2","0.5","HB6941","Yu, Hong; Chen, Zhu-Jun; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1423","","10.1107/S1600536812043929","","","0.71073","MoKα","","0.0448","0.0374","","","0.0749","0.0787","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236412","23.6627","0.0017","7.1449","0.0005","12.2265","0.0009","90","","117.47","0.001","90","","1834","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(2<i>S</i>,4<i>S</i>)-3-Benzoyl-4-benzyl-2-(<i>tert</i>-butyl)-1,3- oxazolidin-5-one","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","KJ2203","Dungan, Victoria J.; Mueller-Bunz, Helge; Rutledge, Peter J.","(2<i>S</i>,4<i>S</i>)-3-Benzoyl-4-benzyl-2-<i>tert</i>-butyl-1,3-oxazolidin-5-one","Acta Crystallographica Section E","2012","68","9","o2747","","10.1107/S1600536812035556","","","0.71073","MoKα","","0.0347","0.034","","","0.0871","0.0878","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236573","27.8848","0.0007","6.2415","0.0002","12.8212","0.0003","90","","107.351","0.001","90","","2129.9","0.1","193","2","193","2","","","","","","","","3","C 1 2 1","C 2y","5","Salvinorin B methoxymethyl ether","Methyl (2<i>S</i>,4a<i>R</i>,6a<i>R</i>,7<i>R</i>,9<i>S</i>,10a<i>S</i>,10b<i>R</i>)- 2-(3-furyl)-9-methoxymethoxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a- octahydro-1<i>H</i>-benzo[<i>f</i>]isochromene-7-carboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","QM2086","Munro, Thomas A.; Ho, Douglas M.; Cohen, Bruce M.","Salvinorin B methoxymethyl ether","Acta Crystallographica Section E","2012","68","11","o3225","o3226","10.1107/S1600536812043449","","","0.71073","MoKα","","0.0496","0.04","","","0.1024","0.1081","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237053","38.8848","0.0008","13.5741","0.0003","10.8871","0.0002","90","","103.967","0.001","90","","5576.6","0.2","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","[(<i>R</i>)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl- κ^2^<i>P</i>,<i>P</i>']{2-[(2<i>R</i>)-1,2-diamino-1-(4-methoxyphenyl)- 3-methylbutyl]-5-methoxyphenyl-κ<i>C</i>^1^}hydridoruthenium(II) benzene monosolvate","","- C69 H64 N2 O2 P2 Ru -","- C69 H64 N2 O2 P2 Ru -","- C276 H256 N8 O8 P8 Ru4 -","4","1","VM2180","Abdur-Rashid, Kamaluddin; Lough, Alan J.","[(<i>R</i>)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']{2-[(2<i>R</i>)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]-5-methoxyphenyl-κ<i>C</i>^1^}hydridoruthenium(II) benzene monosolvate","Acta Crystallographica Section E","2012","68","12","m1486","m1487","10.1107/S1600536812046065","","","0.71073","MoKα","","0.051","0.0392","","","0.0835","0.0888","","","","","","1.036","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2237107","28.317","0.002","9.4539","0.0005","13.7684","0.001","90","","111.017","0.009","90","","3440.7","0.4","297.5","","297.5","","","","","","","","","3","C 1 2 1","C 2y","5","methandrostenolone","17β-Hydroxy-17α-methylandrosta-1,4-dien-3-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C160 H224 O16 -","8","2","BG2491","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrosta-1,4-dien-3-one","Acta Crystallographica Section E","2013","69","1","o60","","10.1107/S1600536812049860","","","0.7107","MoKα","","0.1191","0.0716","","","0.1649","0.1994","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237377","20.057","0.004","7.3816","0.0015","13.7","0.003","90","","112.324","0.004","90","","1876.3","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(7a<i>R</i>)-1-[(2<i>R</i>,5<i>S</i>,<i>E</i>)-6-Hydroxy-5,6-dimethylhept- 3-en-2-yl]-7a-methylhexahydro-1<i>H</i>-inden-4(2<i>H</i>)-one","","- C19 H32 O2 -","- C19 H32 O2 -","- C76 H128 O8 -","4","1","PV2614","Rivadulla, Marcos L.; Sene, Massene; González, María; Covelo, Berta","(7a<i>R</i>)-1-[(2<i>R</i>,5<i>S</i>,<i>E</i>)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methylhexahydro-1<i>H</i>-inden-4(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","2","o218","","10.1107/S1600536812051343","","","0.71073","MoKα","","0.0712","0.0477","","","0.1314","0.1515","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237670","20.7448","0.0004","6.393","0.0001","15.7434","0.0003","90","","124.309","0.001","90","","1724.64","0.06","124","2","124","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3<i>R</i>,4<i>S</i>)-1-(4-Methoxyphenyl)-2-oxo-4-(3-vinylphenyl)azetidin-3-yl acetate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","MW2104","Hao, Xiao-Dong; Xie, Cheng; Hao, Yun-Peng; Chang, Jun; Sun, Xun","(3<i>R</i>,4<i>S</i>)-1-(4-Methoxyphenyl)-2-oxo-4-(3-vinylphenyl)azetidin-3-yl acetate","Acta Crystallographica Section E","2013","69","4","o601","","10.1107/S1600536813007897","","","1.54178","CuKα","","0.026","0.0255","","","0.0688","0.0693","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2238000","13.939","0.005","12.37","0.005","15.321","0.005","90","","90.646","0.005","90","","2641.6","1.7","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis(2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate","","- C54 H76 N4 O21 -","- C54 H76 N4 O21 -","- C108 H152 N8 O42 -","2","0.5","RK2399","Krishnan, P.; Gayathri, K.; Sivakumar, N.; Gunasekaran, B.; Anbalagan, G.","Bis(2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate","Acta Crystallographica Section E","2013","69","6","o870","","10.1107/S160053681301204X","","","0.71073","MoKα","","0.0701","0.0488","","","0.1119","0.1251","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238065","18.377","0.016","6.519","0.006","30.82","0.03","90","","93.233","0.016","90","","3686","6","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Bibromo-2,2-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H24 Br2 Cl2 -","- C17 H24 Br2 Cl2 -","- C136 H192 Br16 Cl16 -","8","2","VM2192","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Dibromo-2,2-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","5","o739","","10.1107/S1600536813010040","","","0.71073","MoKα","","0.0649","0.041","","","0.0949","0.1026","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238209","22.6192","0.0003","5.5649","0.0001","19.0631","0.0003","90","","104.696","0.002","90","","2321.04","0.07","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","1-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-6-<i>O</i>-tosyl-α-L-sorbofuranose","{(3a<i>S</i>,5<i>S</i>,6<i>R</i>,6a<i>S</i>)-3a-[(Benzyloxy)methyl]-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl}methyl 4-methylbenzenesulfonate","","- C23 H28 O8 S -","- C23 H28 O8 S -","- C92 H112 O32 S4 -","4","1","LH5615","Reed, John H.; Turner, Peter; Kato, Atsushi; Houston, Todd A.; Simone, Michela I.","1-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-6-<i>O</i>-tosyl-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section E","2013","69","7","o1069","o1070","10.1107/S1600536813015638","","","1.5418","CuKα","","0.0447","0.0437","","","0.1248","0.1268","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238320","22.1681","0.0018","6.6134","0.0005","10.7358","0.0008","90","","108.277","0.003","90","","1494.5","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,10,10-Trimethyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-en-2-ol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","BT6921","Boualy, Brahim; Harrad, Mohamed Anouar; Oudahmane, Abdelghani; Benharref, Ahmed; Berraho, Moha","1,10,10-Trimethyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-en-2-ol","Acta Crystallographica Section E","2013","69","8","o1314","","10.1107/S160053681302000X","","","0.71073","MoKα","","0.0483","0.0422","","","0.0976","0.1059","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238803","24.9063","0.0008","4.7226","0.0001","8.318","0.0003","90","","105.432","0.001","90","","943.11","0.05","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')barium]-bis(μ-<i>L</i>-histidine-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","","- C12 H18 Ba N8 O10 -","- C12 H18 Ba N8 O10 -","- C24 H36 Ba2 N16 O20 -","2","0.5","TK5259","Arularasan, P.; Chakkaravarthi, G.; Mohan, R.","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')barium]-bis(μ-<small>L</small>-histidine-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","Acta Crystallographica Section E","2013","69","11","m597","","10.1107/S1600536813027402","","","0.71073","MoKα","","0.0189","0.0189","","","0.0484","0.0484","","","","","","1.15","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239210","21.5717","0.0017","6.1097","0.0005","17.0838","0.0014","90","","93.222","0.0017","90","","2248","0.3","100","0.5","100","0.5","","","","","","","","5","C 1 2 1","C 2y","5","weixch01","Bis{(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2-benzyloxy-1-(4-<i>tert</i>-butylphenyl)ethyl]-2-methylpropane-2-sulfinamide} monohydrate","","- C23 H34 N O2.5 S -","- C23 H34 N O2.5 S -","- C92 H136 N4 O10 S4 -","4","1","GK2604","Humes, Charlotte L.; Banker, Tyler J.; Dorn, Stephanie C. M.; Shanahan, James P.; Brennessel, William W.; Weix, Daniel J.","Bis{(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2-benzyloxy-1-(4-<i>tert</i>-butylphenyl)ethyl]-2-methylpropane-2-sulfinamide} monohydrate","Acta Crystallographica Section E","2014","70","4","o405","o406","10.1107/S1600536814004589","","","0.71073","MoKα","","0.0741","0.0504","","","0.0999","0.1101","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2239315","29.88","0.005","6.841","0.005","11.999","0.005","90","","102.307","0.005","90","","2396","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","9α-Hydroxy-12-{[4-(4-hydroxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","SJ5394","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","9α-Hydroxy-12-{[4-(4-hydroxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2014","70","5","o530","o531","10.1107/S1600536814007430","","","0.71073","MoKα","","0.0878","0.0444","","","0.0853","0.1017","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239376","11.7872","0.0012","5.3498","0.0005","13.8817","0.0014","90","","99.913","0.001","90","","862.3","0.15","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Diaquabis(cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium","","- C18 H18 Cd O6 -","- C18 H18 Cd O6 -","- C36 H36 Cd2 O12 -","2","0.5","LH5688","Chooset, Sirinart; Cunningham, Bryan; Kantacha, Anob; Zeller, Matthias; Wongnawa, Sumpun","Diaquabis(cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium","Acta Crystallographica Section E","2014","70","3","m106","m107","10.1107/S160053681400364X","","","0.71073","MoKα","","0.0198","0.0197","","","0.0458","0.0459","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239417","24.5329","0.0015","5.9762","0.0005","7.5944","0.0005","90","","98.536","0.006","90","","1101.11","0.14","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,5-Bis{[(‒)-(<i>S</i>)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 Br2 N2 S -","- C22 H20 Br2 N2 S -","- C44 H40 Br4 N4 S2 -","2","0.5","IS5340","Mendoza, Angel; Bernès, Sylvain; Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René","2,5-Bis{[({-})-(<i>S</i>)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene","Acta Crystallographica Section E","2014","70","3","o345","","10.1107/S1600536814003651","","","0.71073","MoKα","","0.0556","0.0364","","","","0.072","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239956","19.5872","0.0012","6.5263","0.0004","14.7598","0.0009","90","","120.846","0.002","90","","1619.89","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3<i>R</i>)-3-Benzyl-4-[(<i>tert</i>-butoxycarbonyl)amino]butanoic acid","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Jedrzejczak, Karol; Szczesio, Małgorzata; Oracz, Monika; Jankowski, Stefan; Główka, Marek L.","Crystal structure of (3<i>R</i>)-3-benzyl-4-[(<i>tert</i>-butoxycarbonyl)amino]butanoic acid","Acta Crystallographica Section E","2014","70","10","o1081","o1082","10.1107/S1600536814019497","","","1.54178","CuKα","","0.0299","0.029","","","0.0727","0.0733","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240137","19.93","0.002","6.25","0.0007","30.645","0.004","90","","98.715","0.007","90","","3773.1","0.8","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>S</i>,<i>N</i>-Dibenzyl-<i>D</i>-penicillamine monohydrate","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C152 H200 N8 O24 S8 -","8","2","","Yoshinari, Nobuto; Konno, Takumi","Crystal structure of <i>S</i>,<i>N</i>-dibenzyl-<small>D</small>-penicillamine monohydrate","Acta Crystallographica Section E","2014","70","11","o1209","","10.1107/S1600536814023459","","","0.71075","MoKα","","0.0473","0.041","","","0.0906","0.0934","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240149","19.3211","0.0013","4.8198","0.0002","16.1795","0.001","90","","122.694","0.007","90","","1267.99","0.16","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","1<i>H</i>,1'<i>H</i>-[2,2'-Biimidazol]-3-ium hydrogen tartrate hemihydrate","1<i>H</i>,1'<i>H</i>-[2,2'-Biimidazol]-3-ium 3-carboxy-2,3-dihydroxypropanoate hemihydrate","","- C10 H13 N4 O6.5 -","- C10 H13 N4 O6.5 -","- C40 H52 N16 O26 -","4","1","","Gao, Xiao-Li; Bian, Li-Fang; Guo, Shao-Wei","Crystal structure of 1<i>H</i>,1'<i>H</i>-[2,2'-biimidazol]-3-ium hydrogen tartrate hemihydrate","Acta Crystallographica Section E","2014","70","11","o1221","o1222","10.1107/S160053681402371X","","","0.71073","MoKα","","0.0461","0.0412","","","0.093","0.099","","","","","","1.106","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240177","17.783","0.005","9.6993","0.0019","12.796","0.003","90","","107.868","0.01","90","","2100.6","0.9","110","","110","","","","","","","","","5","C 1 2 1","C 2y","5","","(<i>R</i>)-<i>N</i>-benzyl-1-phenylethanaminium (<i>R</i>)-4-chloromandelate","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Peng, Yangfeng; Rohani, Sohrab; Boyle, Paul D.; He, Quan","Crystal structure of (<i>R</i>)-<i>N</i>-benzyl-1-phenylethanaminium (<i>R</i>)-4-chloromandelate","Acta Crystallographica Section E","2014","70","12","o1223","o1224","10.1107/S1600536814023204","","","0.71073","MoKα","","0.0427","0.0359","","","0.0879","0.0915","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240641","38.3346","0.0013","8.0744","0.0003","16.1659","0.0006","90","","91.222","0.002","90","","5002.7","0.3","118","2","118","2","","","","","","","","4","C 1 2 1","C 2y","5","Benzoic acid 4-benzyloxy-6-(2-methoxyacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-\ 3-yl ester; acetic acid 5-azido-3,4-bis-benzyloxy-6-methoxy -tetrahydro-pyran-2-ylmethyl ester 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy- α-<i>D</i>-glucopyranosyl]-2-<i>O </i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D </i>-glucopyranoside","4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D</i>-glucopyranoside","","- C52 H55 N3 O15 -","- C52 H55 N3 O15 -","- C208 H220 N12 O60 -","4","1","SJ5456","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.","Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides","Acta Crystallographica Section E","2015","71","6","582","587","10.1107/S2056989015008518","","","0.71073","MoKα","","0.0525","0.0484","","","0.1254","0.1285","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240798","18.8045","0.0016","5.2529","0.0004","7.2719","0.0006","90","","102.219","0.001","90","","702.03","0.1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Seleno-<i>L</i>-cystine dihydrochloride","(<i>R</i>,<i>R</i>)-1,1'-Dicarboxy-2,2'-(diselanediyl)diethanaminium dichloride","","- C6 H14 Cl2 N2 O4 Se2 -","- C6 H14 Cl2 N2 O4 Se2 -","- C12 H28 Cl4 N4 O8 Se4 -","2","0.5","WM5154","Görbitz, Carl Henrik; Levchenko, Vladimir; Semjonovs, Jevgenijs; Sharif, Mohamed Yusuf","Crystal structure of seleno-<small>L</small>-cystine dihydrochloride","Acta Crystallographica Section E","2015","71","6","726","729","10.1107/S205698901501021X","","","0.71073","MoKα","","0.0242","0.0233","","","0.0613","0.0616","","","","","","1.103","","","","has coordinates,has Fobs","137559","2020-10-21","18:00:00",""
"2240963","27.9186","0.0007","17.2843","0.0005","10.757","0.0003","90","","98.204","0.002","90","","5137.7","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Tetrakis(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(nicotinamide-κ<i>N</i>^1^)copper(II)]","","- C52 H56 Cu2 N4 O10 -","- C52 H56 Cu2 N4 O10 -","- C208 H224 Cu8 N16 O40 -","4","1","XU5858","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Dilek, Nefise; Hökelek, Tuncer","Crystal structure of tetrakis(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(nicotinamide-κ<i>N</i>^1^)copper(II)]","Acta Crystallographica Section E","2015","71","8","989","992","10.1107/S2056989015013882","","","0.71073","MoKα","","0.0696","0.0416","","","0.0878","0.0993","","","","","","1.025","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240987","11.1983","0.0003","14.6094","0.0004","16.3263","0.0004","90","","92.622","0.002","90","","2668.19","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2'-Bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene","","- C34 H24 Cl2 O2 -","- C34 H24 Cl2 O2 -","- C136 H96 Cl8 O8 -","4","1","SU5184","Raja, Rajamani; Jayanthi, Mani; Rajakumar, Perumal; SubbiahPandi, A.","Crystal structure of 2,2'-bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene","Acta Crystallographica Section E","2015","71","9","o637","o638","10.1107/S2056989015014322","","","0.71073","MoKα","","0.047","0.0424","","","0.1112","0.1162","","","","","","1.039","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241019","11.3928","0.0008","6.6476","0.0004","21.4219","0.0013","90","","95.801","0.003","90","","1614.07","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Tryptophan‒fumaric acid‒water (1/1/1)","","- C15 H18 N2 O7 -","- C15 H18 N2 O7 -","- C60 H72 N8 O28 -","4","1","SU5176","Caroline, M. Lydia; Kumaresan, S.; Aravindan, P. G.; Mohamed, M. Peer; Mani, G.","Crystal structure of <small>L</small>-tryptophan‒fumaric acid‒water (1/1/1)","Acta Crystallographica Section E","2015","71","9","o661","o662","10.1107/S205698901501484X","","","0.71073","MoKα","","0.0438","0.0335","","","0.0788","0.0842","","","","","","1.042","","","","has coordinates,has Fobs","153464","2020-10-21","18:00:00",""
"2241107","8.3398","0.0012","9.6725","0.001","8.0671","0.001","90","","95.175","0.005","90","","648.09","0.14","297","","297","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-2-Methylaspardic acid","(<i>S</i>)-2-Amino-2-methylsuccinic acid","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C20 H36 N4 O16 -","4","1","SU5203","Fujii, Isao","Crystal structure of (<i>S</i>)-2-amino-2-methylsuccinic acid","Acta Crystallographica Section E","2015","71","10","o731","o732","10.1107/S2056989015016709","","","1.54178","CuKα","","0.034","0.034","","","0.0963","0.0964","","","","","","1.266","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241560","25.3917","0.0013","5.9488","0.0003","7.5623","0.0004","90","","97.174","0.004","90","","1133.34","0.1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,5-Bis{[(<i>R</i>)-(-)-1-(4-methoxyphenyl)ethyl]iminomethyl}thiophene","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C48 H52 N4 O4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0487","0.0363","","","0.0768","0.0845","","","","","","1.02","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241717","9.036","0.0003","6.1683","0.0002","11.9601","0.0004","90","","91.433","0.002","90","","666.41","0.04","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Ruizite","Dicalcium dimanganese(III) tetrasilicate tetrahydroxide dihydrate","","- Ca2 H8 Mn2 O17 Si4 -","- Ca2 H8 Mn2 O17 Si4 -","- Ca4 H16 Mn4 O34 Si8 -","2","0.5","WM5291","Fendrich, Kim V.; Downs, Robert T.; Origlieri, Marcus J.","Redetermination of ruizite, Ca~2~Mn^3+^~2~[Si~4~O~11~(OH)~2~](OH)~2~·2H~2~O","Acta Crystallographica Section E","2016","72","7","959","963","10.1107/S2056989016009129","","","0.71073","MoKα","","0.0413","0.03","","","0.0617","0.0653","","","","","","1.061","","","","has coordinates,has Fobs","183675","2020-10-21","18:00:00",""
"2241873","16.0785","0.001","5.7927","0.0005","8.9262","0.0007","90","","107.542","0.004","90","","792.71","0.11","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","Pentastrontium tetrakis[oxotellurate(IV)] dihydroxide","","- H2 O14 Sr5 Te4 -","- H2 O14 Sr5 Te4 -","- H4 O28 Sr10 Te8 -","2","0.5","HB7619","Weil, Matthias; Shirkhanlou, Mahdi","Crystal structure of Sr~5~Te~4~O~12~(OH)~2~, the first basic strontium oxotellurate(IV)","Acta Crystallographica Section E","2016","72","11","1532","1535","10.1107/S2056989016015577","","","0.71073","MoKα","","0.0816","0.0418","","","0.075","0.0851","","","","","","1.019","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2241977","19.27","0.004","7.795","0.0016","14.834","0.003","90","","91.71","0.03","90","","2227.2","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","{(<i>S</i>)-1-Phenyl-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C22 H21 N5 S2 Zn -","- C22 H21 N5 S2 Zn -","- C88 H84 N20 S8 Zn4 -","4","1","IS5466","Lee, Dong Won; Shin, Jong Won","Crystal structure of {(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc from synchrotron data","Acta Crystallographica Section E","2017","73","1","17","19","10.1107/S2056989016019253","","","0.63","synchrotron","","0.0511","0.0393","","","0.0874","0.0933","","","","","","0.988","","","","has coordinates,has Fobs","189031","2020-10-21","18:00:00",""
"2241988","13.8447","0.0006","9.2316","0.0004","14.7018","0.0006","90","","99.605","0.002","90","","1852.68","0.14","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate","","- C36 H52 Cl4 Co N2 O2 -","- C36 H52 Cl4 Co N2 O2 -","- C72 H104 Cl8 Co2 N4 O4 -","2","0.5","SJ5517","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0454","0.0342","","","0.0785","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2241989","13.8066","0.0016","9.2934","0.0012","14.651","0.003","90","","99.318","0.006","90","","1855.1","0.5","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocuprate","","- C36 H52 Cl4 Cu N2 O2 -","- C36 H52 Cl4 Cu N2 O2 -","- C72 H104 Cl8 Cu2 N4 O4 -","2","0.5","","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0585","0.0391","","","0.0907","0.0999","","","","","","1.077","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2242409","10.2069","0.0003","6.3761","0.0002","23.2265","0.0007","90","","101.454","0.001","90","","1481.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","2-Oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","FF2152","Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher","Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate","Acta Crystallographica Section E","2018","74","4","458","460","10.1107/S205698901800333X","","","1.34139","GaKα","","0.0767","0.0697","","","0.1913","0.2008","","","","","","1.096","","","","has coordinates,has Fobs","206840","2020-10-21","18:00:00",""
"2242410","20.113","0.0015","10.3898","0.0007","15.5934","0.0012","90","","97.452","0.002","90","","3231","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(20<i>S</i>)-21-[4-(2-Hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol","","- C32 H53 N3 O2 -","- C32 H53 N3 O2 -","- C128 H212 N12 O8 -","4","1","","Santalla, Hugo; Argibay, Saray","Crystal structure of (20<i>S</i>)-21-[4-(2-hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol with an unknown solvate","Acta Crystallographica Section E","2018","74","4","465","468","10.1107/S2056989018003286","","","0.71073","MoKα","","0.0471","0.0444","","","0.1195","0.122","","","","","","1.024","","","","has coordinates,has disorder","206841","2020-10-21","18:00:00",""
"2242473","16.228","0.0015","6.4392","0.0005","15.5937","0.0015","90","","104.289","0.004","90","","1579.1","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-1-cyclohexylethylammonium 2-chloro-4-nitrobenzoate","(<i>S</i>)-1-Cyclohexylethan-1-aminium 2-chloro-4-nitrobenzoate","","- C15 H21 Cl N2 O4 -","- C15 H21 Cl N2 O4 -","- C60 H84 Cl4 N8 O16 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0358","0.0315","","","0.0692","0.0714","","","","","","1.043","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242863","21.3758","0.0006","9.2781","0.0003","13.9722","0.0005","90","","102.654","0.003","90","","2703.75","0.15","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Idelalisib t-BuOH monosolvate dihydrate","5-Fluoro-3-phenyl-2-[(1<i>S</i>)-1-(9<i>H</i>-purin-6-ylamino)propyl]quinazolin-4(3<i>H</i>)-one <i>tert</i>-butanol monosolvate dihydrate","","- C26 H32 F N7 O4 -","- C26 H32 F N7 O4 -","- C104 H128 F4 N28 O16 -","4","1","WM5487","Nerdinger, Sven; Stefinovic, Marijan; Richter, Frank; Olma, Jacek; Brysz, Michal; Walker, Tracy; Kahlenberg, Volker; Gelbrich, Thomas","Crystal structure of idelalisib <i>tert</i>-butanol monosolvate dihydrate","Acta Crystallographica Section E","2019","75","3","414","417","10.1107/S2056989019002743","","x-ray","0.71073","MoKα","","0.0429","0.0388","","","0.095","0.098","","","","","","1.067","","","","has coordinates,has Fobs","213918","2020-10-21","18:00:00",""
"2243063","34.882","0.004","6.5332","0.0011","13.6021","0.0016","90","","100.599","0.014","90","","3046.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3a<i>S</i>,5<i>S</i>,7a<i>S</i>,7b<i>S</i>,9a<i>R</i>,10<i>R</i>,12a<i>R</i>,12b<i>S</i>)-7b-Hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'<i>R</i>)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[<i>d</i>]indeno[4,5-<i>b</i>]azepin-5-yl acetate","","- C32 H51 N O6 -","- C32 H51 N O6 -","- C128 H204 N4 O24 -","4","1","EX2022","Suescun, Leopoldo; Heinzen, Horacio","Absolute structure of (3a<i>S</i>,5<i>S</i>,7a<i>S</i>,7b<i>S</i>,9a<i>R</i>,10<i>R</i>,12a<i>R</i>,12b<i>S</i>)-7b-hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'<i>R</i>)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[<i>d</i>]indeno[4,5-<i>b</i>]azepin-5-yl acetate from 62-year-old crystals","Acta Crystallographica Section E","2019","75","9","1348","1351","10.1107/S205698901901140X","","","1.54178","CuKα","","0.0549","0.0504","","","0.1306","0.1346","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","217675","2020-10-21","18:00:00",""
"2243524","11.7405","0.0006","5.3589","0.0002","8.342","0.0004","90","","98.661","0.003","90","","518.86","0.04","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper iron digermanium heptasulfide","","- Cu4 Fe Ge2 S7 -","- Cu4 Fe Ge2 S7 -","- Cu8 Fe2 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.042","0.0339","","","0.0872","0.0938","","","","","","1.064","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243525","11.728","0.0002","5.33987","0.0001","8.33133","0.00014","90","","98.668","0.0012","90","","515.798","0.016","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper cobalt digermanium heptasulfide","","- Co Cu4 Ge2 S7 -","- Co Cu4 Ge2 S7 -","- Co2 Cu8 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.0348","0.0298","","","0.0713","0.0746","","","","","","1.111","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243603","27.505","0.003","12.3814","0.0012","14.6346","0.0014","90","","99.999","0.003","90","","4908.1","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-(6,6'-dimethyl-[1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate","","- C52 H60.5 N6 O10.25 -","- C52 H60.5 N6 O10.25 -","- C208 H242 N24 O41 -","4","1","VM2240","Nguyen, Xuan Tu; Le, Thuy Quynh; Bui Thi, Tra My; Mac, Dinh Hung; Bui, Thai Thanh Thu","Synthesis and crystal structure of peptide dimethyl biphenyl hybrid C~52~H~60~N~6~O~10~·0.25H~2~O","Acta Crystallographica Section E","2020","76","10","1675","1678","10.1107/S2056989020012931","","","0.71073","MoKα","","0.052","0.0381","","","0.0807","0.0862","","","","","","1.064","","","","has coordinates,has disorder","256796","2020-10-21","18:00:00",""
"2243789","15.7469","0.0005","13.2627","0.0004","17.8602","0.0006","90","","106.376","0.0013","90","","3578.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate 0.476-hydrate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate 0.476-hydrate","","- C36 H35.96 Br N2 O6.48 -","- C36 H35.952 Br N2 O6.476 -","- C144 H143.808 Br4 N8 O25.904 -","4","1","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","1.54178","CuKα","","0.0445","0.0413","","","0.1041","0.1065","","","","","","1.084","","","","has coordinates,has Fobs","263391","2021-03-27","06:13:53",""
"2243790","16.4119","0.0006","13.5643","0.0006","17.8475","0.0008","90","","107.318","0.003","90","","3793","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate tetetrahydrofuran sesquihydrate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate tetrahydrofuran sesquihydrate","","- C84 H94 Br2 N4 O15 -","- C84 H94 Br2 N4 O15 -","- C168 H188 Br4 N8 O30 -","2","0.5","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","1.54178","CuKα","","0.0592","0.0538","","","0.1223","0.127","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","263391","2021-03-27","06:13:56",""
"2243792","16.0678","0.0009","13.644","0.0008","17.872","0.0008","90","","107.635","0.0018","90","","3733.9","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate‒hexane‒acetone (1/0.248/1)","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate‒hexane‒acetone (1/0.248/1)","","- C81 H89 Br2 N4 O14 -","- C81 H88.99 Br2 N4 O14.01 -","- C162 H177.98 Br4 N8 O28.02 -","2","0.5","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.0815","0.0466","","","0.1096","0.1261","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","263391","2021-03-27","06:13:56",""
"2243793","15.7494","0.0012","13.3568","0.0011","17.8634","0.0014","90","","106.5","0.003","90","","3603","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","1","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.0691","0.0477","","","0.1305","0.1424","","","","","","1.055","","","","has coordinates,has Fobs","263391","2021-03-27","06:13:56",""
"2243794","15.7494","0.0012","13.3568","0.0011","17.8634","0.0014","90","","106.5","0.003","90","","3603","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","1","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.0615","0.0415","","","0.1103","0.1193","","","","","","1.063","","","","has coordinates,has Fobs","263391","2021-03-27","06:13:56",""
"2243821","18.9105","0.0006","15.7993","0.0005","21.5738","0.0007","90","","98.727","0.001","90","","6371","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","((<i>S</i>,<i>S</i>)-2,2'-{(1,2-diphenylethane-1,2-diyl)bis[(azaniumylylidene)methanylylidene]}bis(6-methoxyphenolato))trinitratosamarium(III)","","- C30 H28 N5 O13 Sm -","- C30 H28 N5 O13 Sm -","- C240 H224 N40 O104 Sm8 -","8","2","","Okumura, Yuta; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of ((<i>S</i>,<i>S</i>)-2,2'-{[(1,2-diphenylethane-1,2-diyl)bis[(azaniumylylidene)methanylylidene]}bis(6-methoxyphenolato))trinitratosamarium(III)","Acta Crystallographica Section E","2021","77","5","579","582","10.1107/S2056989021004424","","","0.71073","MoKα","","0.0429","0.0334","","","0.0989","0.1163","","","","","","0.834","","","","has coordinates,has Fobs","264755","2021-05-01","05:56:39",""
"2300047","29.033","0.002","5.943","0.002","16.753","0.002","90","","90.562","0.007","90","","2890.5","1.1","296","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 Fe O -","- C18 H18 Fe O -","- C144 H144 Fe8 O8 -","8","2","","T. Koganezawa; K. Uno; H. Iwasaki; N. Nakamura; Y. Yoshimura; T. Shoji","A wide-bandpass multilayer monochromator and its application to the determination of absolute structure","Journal of Applied Crystallography","2004","37","1","136","142","10.1107/S002188980302630X","","","1.54178","CuKα","","","0.029","","","","0.066","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300048","29.042","0.002","5.946","0.003","16.753","0.002","90","","90.587","0.008","90","","2892.8","1.5","296","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 Fe O -","- C18 H18 Fe O -","- C144 H144 Fe8 O8 -","8","2","","T. Koganezawa; K. Uno; H. Iwasaki; N. Nakamura; Y. Yoshimura; T. Shoji","A wide-bandpass multilayer monochromator and its application to the determination of absolute structure","Journal of Applied Crystallography","2004","37","1","136","142","10.1107/S002188980302630X","","","1.54178","CuKα","","","0.035","","","","0.077","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2310572","9.19","","6.9","","8.92","","90","","101.2","","90","","554.854","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","As (C N)3","","- C3 As N3 -","- C3 As N3 -","- C12 As4 N12 -","4","1","","Emerson, K.; Britton, D.","The Crystal and Molecular Structure of Arsenic Tricyanide","Acta Crystallographica (1,1948-23,1967)","1963","16","","113","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310579","9.357","","3.3823","","7.792","","90","","119.46","","90","","214.717","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Nb As2","","- As2 Nb -","- As2 Nb -","- As8 Nb4 -","4","1","","Furuseth, S.; Kjekshus, A.","The crystal structures of Nb As2 and Nb Sb2","Acta Crystallographica (1,1948-23,1967)","1965","18","","320","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310640","12.66","","3.7921","","6.6147","","90","","107.9","","90","","302.187","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Ga Nb O4 -","- Ga Nb O4 -","- Ga4 Nb4 O16 -","4","1","","Morosin, B.; Rosenzweig, A.","The crystal structure of Ga Nb O4","Acta Crystallographica (1,1948-23,1967)","1965","18","","874","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310657","29.78","","3.821","","21.12","","90","","94.9","","90","","2394.45","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Ti Nb24 O62","","- Nb24 O62 Ti -","- Nb24 O62 Ti -","- Nb48 O124 Ti2 -","2","0.5","","Roth, R.S.; Wadsley, A.D.","Mixed oxides of titanium and niobium: the crystal structure of Ti Nb24 O62 (Ti O2.12 Nb2 O5)","Acta Crystallographica (1,1948-23,1967)","1965","18","","724","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310724","29.74","","3.824","","25.97","","90","","92.3","","90","","2951.08","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","W4 Nb26 O77","","- Nb26 O77 W4 -","- Nb26.0008 O77 W3.9992 -","- Nb52.0016 O154 W7.9984 -","2","0.5","","Andersson, S.; Mumme, W.G.; Wadsley, A.D.","Multiple phase formation in the binary system Nb2 O5-W O3. V. The structure of W4 Nb26 O77 an ordered intergrowth of the adjoining compounds W Nb12 O33 and W3 Nb14 O44","Acta Crystallographica (1,1948-23,1967)","1966","21","","802","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","160657","2020-10-21","18:00:00",""
"2311032","8.66","","4.52","","4.75","","90","","117.9","","90","","164.319","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Os O4","","- O4 Os -","- O4 Os -","- O8 Os2 -","2","0.5","","Zalkin, A.; Templeton, D.H.","The Crystal Structure of Osmium Tetroxide","Acta Crystallographica (1,1948-23,1967)","1953","6","","106","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311091","48.275","0.01","8.932","0.0018","24.604","0.005","90","","119.72","0.03","90","","9214","4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C73 H120 N16 O19.5 -","- C73 H120 N16 O19.5 -","- C292 H480 N64 O78 -","4","1","","Gessmann, Renate; Axford, Danny; Brückner, Hans; Berg, Albrecht; Petratos, Kyriacos","A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution","Acta Crystallographica Section F","2017","73","2","95","100","10.1107/S2053230X17001236","","","0.7293","","","0.1026","0.0673","","","0.1521","0.1721","","","","","","0.954","","","","has coordinates,has Fobs","193939","2020-10-21","18:00:00",""
"2311632","21.931","0.004","8.6541","0.0017","11.797","0.002","90","","117.57","0.03","90","","1984.7","0.8","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H22 Cl N O8 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.0439","0.0428","","","0.1182","0.1191","","","","","","1.087","","","","has coordinates","246065","2020-10-21","18:00:00",""
"4000017","10.802","0.006","34.644","0.006","4.981","0.008","90","","117.44","0.05","90","","1654","3","298.2","","298.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H16 Ag N2 S8 Se8 -","- C20 H16 Ag0.5 N2 S8 Se8 -","- C40 H32 Ag N4 S16 Se16 -","2","0.5","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0577","","","0.0432","","","","","2.103","2.103","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000048","40.131","0.008","7.9554","0.0016","7.2309","0.0014","90","","91.71","0.03","90","","2307.5","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C40 H72 Cl4 Cu N2 -","- C20 H36 Cl2.003 Cu0.501 N -","- C80 H144 Cl8.012 Cu2.004 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1277","0.0797","","","0.2465","0.2803","","","","","","0.941","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000090","19.615","0.005","7.239","0.002","12.064","0.003","90","","127.929","0.004","90","","1351.2","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Cl Cs3 H12 O25 U6 -","- Cl Cs3 O25 U6 -","- Cl2 Cs6 O50 U12 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1024","0.072","","","0.1596","0.1705","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000320","17.368","0.009","15.817","0.008","9.204","0.004","90","","106.3","0.009","90","","2427","2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H26 Cl4.5 Cu2.5 N2 O2 -","- C20 H26 Cl4.5 Cu2.5 N2 O2 -","- C80 H104 Cl18 Cu10 N8 O8 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034301u","","","0.71073","MoKα","","0.1642","0.0477","","","0.1164","0.1617","","","","","","0.532","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000321","17.931","0.003","14.611","0.002","9.5135","0.0015","90","","106.905","0.003","90","","2384.6","0.6","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H27 Br3.5 Cu1.5 N2 O2.5 -","- C20 H26 Br3.5 Cu1.5 N2 O2.5 -","- C80 H104 Br14 Cu6 N8 O10 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034301u","","","0.71073","MoKα","","0.1408","0.0434","","","0.1023","0.1418","","","","","","0.503","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000539","15.089","0.003","5.4096","0.0011","8.0336","0.0016","90","","93.31","0.03","90","","654.7","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Ag2 N2 O6 S2 -","- C10 H8 Ag2 N2 O6 S2 -","- C20 H16 Ag4 N4 O12 S4 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm048471y","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001043","20.652","0.003","6.798","0.001","9.954","0.001","90","","92.145","0.006","90","","1396.5","0.3","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 O5 V -","- C14 O5 V -","- C56 O20 V4 -","4","1","","Djerdj, Igor; Cao, Minhua; Rocquefelte, Xavier; Černý, Radovan; Jagličić, Zvonko; Arčon, Denis; Potočnik, Anton; Gozzo, Fabia; Niederberger, Markus","Structural Characterization of a Nanocrystalline Inorganic−Organic Hybrid with Fiberlike Morphology and One-Dimensional Antiferromagnetic Properties","Chemistry of Materials","2009","21","14","3356","","10.1021/cm901345h","powder diffraction","","1.03469","synchrotron","","","","","","","","","1.02","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001075","17.25","0.01","19.467","0.009","14.031","0.012","90","","95.22","0.05","90","","4692","5","233","2","233","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Cu3 N3 O12 -","- C51 H30 Cu3 N3 O12 -","- C204 H120 Cu12 N12 O48 -","4","1","","Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar","New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties","Chemistry of Materials","2009","21","24","5860","","10.1021/cm9025683","","","0.71073","MoKα","","0.0507","0.0395","","","0.0902","0.0994","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001257","14.501","0.003","15.714","0.003","18.541","0.004","90","","111.17","0.03","90","","3939.8","1.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H66 O8 Pt Si2 -","- C32 H66 O8 Pt Si2 -","- C128 H264 O32 Pt4 Si8 -","4","1","","Ruddy, Daniel A.; Jarupatrakorn, Jonggol; Rioux, Robert M.; Miller, Jeffrey T.; McMurdo, Meredith J.; McBee, Jennifer L.; Tupper, Karl A.; Tilley, T. Don","Site-Isolated Pt-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pt(II) and Pt(IV)","Chemistry of Materials","2008","20","20","6517","","10.1021/cm801598k","","","0.71073","MoKα","","0.0439","0.0343","","","0.0659","0.0679","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001443","21.2692","0.0016","12.5647","0.0006","13.4995","0.001","90","","121.843","0.002","90","","3064.7","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H36 Cu2 N2 O8 -","- C30 H36 Cu2 N2 O8 -","- C120 H144 Cu8 N8 O32 -","4","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0402","","","0.1085","0.1112","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001748","11.043","","6.563","","9.129","","90","","91.47","","90","","661.408","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","La2 Ca (B10 O19)","","- B10 Ca La2 O19 -","- B10 Ca La2 O19 -","- B20 Ca2 La4 O38 -","2","0.5","","Wang, J.-X.; Liu, J.-G.; Fu, P.-Z.; Wu, Y.-C.; Wang, G.-F.; Zhou, H.-Y.; Chen, C.-T.","A new lanthanum and calcium borate La2 Ca Bi10 O19","Chemistry of Materials (1,1989-)","2001","13","","753","755","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002063","12.6509","0.0003","5.6642","0.0002","8.9319","0.0004","90","","98.125","0.004","90","","633.61","0.04","295","","295","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- Cu5 Se7 Sn2 -","- Cu5 Se7 Sn2 -","- Cu10 Se14 Sn4 -","2","0.5","","Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri","Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms","Chemistry of Materials","2014","26","18","5244","","10.1021/cm501899q","powder diffraction","","0.430459","synchrotron","","","","","","","","","0.0589","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003296","22.28","0.02","22.2","0.02","11.198","0.01","90","","90.931","0.008","90","","5538","9","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.33 H26.67 Cu1.33 N5.33 O8 S2.67 -","- C29.3333 H26.6667 Cu1.33333 N5.33333 O8 S2.66667 -","- C176 H160 Cu8 N32 O48 S16 -","6","1.5","","Zhang, Guiyang; Wei, Guangfeng; Liu, Zhipan; Oliver, Scott R. J.; Fei, Honghan","A Robust Sulfonate-Based Metal‒Organic Framework with Permanent Porosity for Efficient CO2 Capture and Conversion","Chemistry of Materials","2016","28","17","6276","","10.1021/acs.chemmater.6b02511","","","0.71073","MoKα","","0.0444","0.0371","","","0.0916","0.0951","","","","","","1.052","","","","has coordinates","231500","2020-10-21","18:00:00",""
"4003668","35.45","0.004","5.4065","0.0006","5.3466","0.0006","90","","94.108","0.011","90","","1022.1","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0925","0.0772","","","0.208","0.2256","","","","","","1.105","","","","has coordinates","255837","2020-10-21","18:00:00",""
"4003669","35.47","0.002","5.4017","0.0003","5.3432","0.0003","90","","94.15","0.005","90","","1021.06","0.1","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0507","0.0503","","","0.1356","0.1362","","","","","","1.047","","","","has coordinates","255838","2020-10-21","18:00:00",""
"4004055","15.2567","0.003","8.8952","0.0002","8.8314","0.0011","90","","124.806","0.0028","90","","984.1","0.2","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Trisodium manganese(II) titanium(IV) phosphate","","- Mn2 Na6 O24 P6 Ti2 -","- Mn2 Na6 O24 P6 Ti2 -","- Mn4 Na12 O48 P12 Ti4 -","2","0.5","","Snarskis, G; Pilipavicius, J; Gryaznov, D; Mikoliunaite, L; Vilciauskas, L","Peculiarities of Phase Formation in Mn-based NASICON Systems: The Case of Na1+2xMnxTi2-x(PO4)3(0.0<=x<=1.5)","Chemistry of Materials","2021","33","","8394","8403","10.1021/acs.chemmater.1c02775","","","","","","0.0702","","","","","","","","","","","","","","","has coordinates","271681","2022-01-03","08:57:02",""
"4004074","38.6306","0.0011","7.3226","0.0003","7.2843","0.0002","90","","90.585","0.003","90","","2060.45","0.12","173","0.1","173","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H48 Ag Cl8 Fe N4 -","- C32 H48 Ag Cl8 Fe N4 -","- C64 H96 Ag2 Cl16 Fe2 N8 -","2","0.5","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0718","0.0642","","","0.1678","0.1769","","","","","","1.053","","","","has coordinates,has disorder","274281","2022-04-03","21:50:45",""
"4020043","9.741","0.006","4.787","0.004","27.44","0.02","90","","97.63","0.06","90","","1268","1","93.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H17 N O3 -","- C14 H12 N O3 -","- C56 H48 N4 O12 -","4","1","","Azusa Sato; Hisanaka Ito; Takeo Taguchi","","Journal of Organic Chemistry","2005","70","","709","712","10.1021/jo0489216","","","0.7107","MoKα","","","0.072","","","","0.154","","","","","","1.051","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020069","19.55","0.003","14.449","0.002","14.925","0.002","90","","96.767","0.003","90","","4186.7","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H42 N2 O4.5 -","- C52 H42 N2 O4.5 -","- C208 H168 N8 O18 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1289","0.0908","","","0.26","0.2954","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020078","17.069","0.006","5.886","0.002","12.681","0.005","90","","102.407","0.003","90","","1244.3","0.8","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 F O2 -","- C13 H17 F O2 -","- C52 H68 F4 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0749","0.0598","","","0.1515","0.1696","","","","","","1.111","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020085","33.157","0.0006","8.369","0.0002","17.171","0.0004","90","","96.033","0.001","90","","4738.41","0.18","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C56 H54 O11 -","- C56 H54 O11 -","- C224 H216 O44 -","4","1","","Suvarn S. Kulkarni; Yi-Hung Liu; Shang-Cheng Hung","","Journal of Organic Chemistry","2005","70","","2808","2811","10.1021/jo047794a","","","0.71073","MoKα","","0.1441","0.093","","","0.2369","0.26","","","","","","1.593","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020136","31.545","0.005","6.9687","0.001","11.2953","0.0017","90","","94.753","0.003","90","","2474.5","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.5 H28 Cl N O3 -","- C29.5 H28 Cl N O3 -","- C118 H112 Cl4 N4 O12 -","4","1","","Yong-Gui Zhou; Peng-Yu Yang; Xiu-Wen Han","","Journal of Organic Chemistry","2005","70","","1679","1683","10.1021/jo048212s","","","0.71073","MoKα","","0.1198","0.0711","","","0.1675","0.198","","","","","","0.888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020172","15.123","0.003","12.592","0.003","25.895","0.005","90","","94.988","0.003","90","","4912.4","1.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H32 Br N O3 -","- C26 H32 Br N O3 -","- C208 H256 Br8 N8 O24 -","8","2","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020208","17.9579","0.0019","7.8494","0.0009","11.428","0.0015","90","","120.223","0.001","90","","1391.9","0.3","243","2","243","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H17 N O7 -","- C12 H17 N O7 -","- C48 H68 N4 O28 -","4","1","","Rena Bodner; Bridget K. Marcellino; Alexandra Severino; Abigail L. Smenton; Christian M. Rojas","","Journal of Organic Chemistry","2005","70","","3988","3996","10.1021/jo0500129","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020274","31.656","0.008","6.3516","0.0014","18.371","0.005","90","","124.109","0.004","90","","3058.3","1.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H42 N2 O5 -","- C32 H42 N2 O5 -","- C128 H168 N8 O20 -","4","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020310","14.764","0.002","17.671","0.003","11.94","0.002","90","","103.858","0.006","90","","3024.4","0.8","90","2","90","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C27.3895 H44.779 B Cl0.407 F4 O0.2965 P2 Rh S -","- C27.3895 H44.78 B Cl0.407 F4 O0.2965 P2 Rh S -","- C109.558 H179.12 B4 Cl1.628 F16 O1.186 P8 Rh4 S4 -","4","1","","Tiziana Benincori; Tullio Pilati; Simona Rizzo; Franco Sannicoló; Mark J. Burk; Lorenzo de Ferra; Elio Ullucci; Oreste Piccolo","The 2,5-Dimethyl-3,4-bis[(2R,5R)-2,5-dimethylpospholano]thiophene (UluPHOS):the First Member of the Hetero-DuPHOS Family.","Journal of Organic Chemistry","2005","70","","5436","5441","10.1021/jo050390d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020387","14.013","0.002","13.884","0.002","12.1079","0.0018","90","","120.106","0.002","90","","2037.9","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H21 Br Cl3 N O Pd -","- C16 H21 Br Cl3 N O Pd -","- C64 H84 Br4 Cl12 N4 O4 Pd4 -","4","1","","Ke Yuan; Ting Ke Zhang; Xue Long Hou","","Journal of Organic Chemistry","2005","70","","6085","6088","10.1021/jo050491b","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020549","29.185","0.019","5.098","0.004","12.366","0.009","90","","90.209","0.016","90","","1840","2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020641","26.2553","0.0017","11.3176","0.0008","11.8892","0.0008","90","","112.159","0.001","90","","3271.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H44 O9 S Si -","- C26 H44 O9 S Si -","- C104 H176 O36 S4 Si4 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020702","28.197","0.007","6.3152","0.0017","22.247","0.006","90","","127.911","0.004","90","","3125.5","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H50 O5 Si -","- C28.6 H50 O5 Si -","- C114.4 H200 O20 Si4 -","4","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020837","18.076","0.0005","8.1759","0.0003","14.5553","0.0005","90","","110.453","0.005","90","","2015.5","0.1","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Sini<sa Marinkovi<c; Cédric Brulé; Norbert Hoffmann; Elise Prost; Jean-Marc Nuzillard; Véonique Bulach","Origin of Chiral Induction in Radical Reactions with the Diastereoisomers (5R)- and (5S)-5-l-Menthyloxyfuran-2[5H]-one","Journal of Organic Chemistry","2004","69","","1646","1651","10.1021/jo030292x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021073","22.837","0.004","6.394","0.002","14.408","0.003","90","","95.328","0.016","90","","2094.9","0.9","294","2","294","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 N O2 S2 -","- C23 H25 N O2 S2 -","- C92 H100 N4 O8 S8 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates","219295","2020-10-21","18:00:00",""
"4021075","24.638","0.001","11.824","0.001","11.166","0.001","90","","112.08","","90","","3014.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H38 Cl N2 O7.5 -","- C29 H37 Cl N2 O7.5 -","- C116 H148 Cl4 N8 O30 -","4","1","","Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett","Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662","Journal of Organic Chemistry","2004","69","","7875","7879","10.1021/jo048711t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021078","26.977","0.003","7.4394","0.0009","18.917","0.002","90","","130.916","0.002","90","","2868.8","0.6","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H17.5 N0.5 O2 Si0.5 -","- C15 H17.5 N0.5 O2 Si0.5 -","- C120 H140 N4 O16 Si4 -","8","2","","Tahar Ayad; Vanessa Faugeroux; Yves Génisson; Chantal André; Michel Baltas; Liliane Gorrichon","Stereoselective Access to the Versatile 4-Aminohex-5-ene-1,2,3-triol Pattern","Journal of Organic Chemistry","2004","69","","8775","8779","10.1021/jo048766v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021143","32.185","0.006","6.201","0.0012","9.169","0.0018","90","","96.37","0.03","90","","1818.6","0.6","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 N O4 P -","- C16 H22 N O4 P -","- C64 H88 N4 O16 P4 -","4","1","","William H. Hersh; Lauren Klein; Louis J. Todaro","Stereoselective Synthesis of P-Chiral Phosphorus Compounds from N-tert-Butoxycarbonyl Amino Acids","Journal of Organic Chemistry","2004","69","","7355","7358","10.1021/jo049057k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021145","18.5623","0.0015","13.087","0.0012","24.018","0.002","90","","97.433","0.003","90","","5785.5","0.9","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30.5 H35.25 O7.125 -","- C30.5 H35.25 O7.125 -","- C244 H282 O57 -","8","2","","Julien Beignet; James Tiernan; Chang H. Woo; Benson M. Kariuki; Liam R. Cox","Stereoselective Synthesis of Allyl-C-mannosyl Compounds: Use of a Temporary Silicon Connection in Intramolecular Allylation Strategies with Allylsilanes","Journal of Organic Chemistry","2004","69","","6341","6356","10.1021/jo049061w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021157","27.813","0.002","6.2336","0.0004","13.4923","0.0009","90","","109.808","0.001","90","","2200.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H27 N O3 Si2 -","- C19 H27 N O3 Si2 -","- C76 H108 N4 O12 Si8 -","4","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021383","32.809","0.01","9.945","0.003","8.492","0.003","90","","104.72","0.006","90","","2679.9","1.4","88","2","88","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C52 H78 O11 -","- C52 H78 O11 -","- C104 H156 O22 -","2","0.5","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0907","0.0618","","","0.1501","0.1611","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021549","59.445","0.003","10.5079","0.0005","25.8107","0.0011","90","","95.554","0.002","90","","16046.8","1.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C96 H100 O20 -","- C96 H100 O20 -","- C768 H800 O160 -","8","2","","Enrique M. Rubio; M. Isabel García-Moreno; Patricia Balbuena; Fernando J. Lahoz; Eleuterio Álvarez; Carmen Ortiz Mellet; José M. García Fernández","Spacer-Mediated Synthesis of Contra-Thermodynamic Spiroacetals: Stereoselective Synthesis of C~2~-Symmetric Difructose Dianhydrides","Journal of Organic Chemistry","2006","71","","2257","2266","10.1021/jo052184b","","","0.6934","synchrotron","","0.1122","0.0874","","","0.2239","0.2532","","","","","","1.063","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021576","19.899","0.001","20.987","0.001","21.619","0.001","90","","111.143","0.001","90","","8420.8","0.8","100","2","100","2","","","","","","","","10","C 1 2 1","C 2y","5","","","","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C308 H384 Cl24 F48 Fe8 N8 O8 P8 Pd8 Sb8 -","8","2","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0319","0.0271","","","0.0625","0.0645","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021711","14.553","0.004","13.477","0.003","11.77","0.003","90","","108.896","0.005","90","","2184","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0761","0.0524","","","0.1311","0.148","","","","","","0.931","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021785","31.54","0.005","5.608","0.005","8.403","0.005","90","0.005","102.653","0.005","90","0.005","1450.2","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-hydroxy-3-methyl-6-phenyl-5-en-2-yl acetate","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0667","0.0609","","","0.1728","0.1854","","","","","","1.125","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021797","20.5888","0.0005","6.8523","0.0002","15.1405","0.0003","90","","111.949","0.001","90","","1981.19","0.08","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H18 Br2 O5 -","- C22 H18 Br2 O5 -","- C88 H72 Br8 O20 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0186","0.0179","","","0.045","0.0452","","","","","","1.044","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021852","29.66","0.012","4.99","0.002","22.643","0.01","90","","126.593","0.006","90","","2691","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C36 H36 O4 -","- C36 H36 O4 -","- C144 H144 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.1146","0.0594","","","0.096","0.1109","","","","","","0.916","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021887","31.582","0.0008","7.466","0.0002","11.068","0.0002","90","","109.485","0.002","90","","2460.27","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O -","- C30 H31 N O -","- C120 H124 N4 O4 -","4","1","","José M. Concellón; Pablo L. Bernad; Virginia del Solar; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Synthesis of Enantiopure (αS,βS)- or (αR,βR)-Amino Alcohols by Complete Regioselective Opening of Aminoepoxides by Organolithium Reagents LiAlH~4~ ir LiAlD~4~","Journal of Organic Chemistry","2006","71","","6420","6426","10.1021/jo0606756","","","1.54184","CuKα","","0.0513","0.0338","","","0.0778","0.0883","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021897","10.709","0.005","18.515","0.005","53.426","0.005","90","0.005","90.282","0.005","90","0.005","10593","6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C528 H384 O48 P24 -","12","3","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71069","MoKα","","0.0686","0.0555","","","0.132","0.1391","","","","","","1.018","","","","has coordinates","259535","2020-12-04","06:04:52",""
"4021898","24.535","0.006","6.0496","0.0015","23.504","0.006","90","","98.006","0.005","90","","3454.6","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C176 H128 O16 P8 -","4","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1402","0.0703","","","0.1147","0.1389","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021919","25.46","0.008","10.292","0.006","16.264","0.006","90","","98.503","0.011","90","","4215","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H46 Mn3 N4 O12 -","- C40 H41 Mn2.989 N4 O12 -","- C160 H164 Mn11.956 N16 O48 -","4","1","","Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang","Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes","Journal of Organic Chemistry","2006","71","","6721","6727","10.1021/jo060709+","","","0.71073","MoKα","","0.0553","0.0414","","","0.0964","0.1041","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021945","15.3035","0.0016","10.3641","0.0011","14.1931","0.0015","90","","101.189","0.002","90","","2208.3","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H29 N O5.5 P -","- C18 H29 N O5.5 P -","- C72 H116 N4 O22 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.073","0.0438","","","0.1042","0.1168","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021962","39.149","0.008","9.736","0.002","9.566","0.002","90","","96.414","0.005","90","","3623.3","1.3","293.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C39 H40 Cl N2 O2 P Pd -","- C39 H40 Cl N2 O2 P Pd -","- C156 H160 Cl4 N8 O8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.05","","","","0.055","","","","","","4.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021966","38.3957","0.0012","9.6498","0.0003","9.6342","0.0003","90","","101.35","","90","","3499.74","0.19","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H38 Cl N2 P Pd -","- C37 H38 Cl N2 P Pd -","- C148 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.71073","MoKα","","0.0611","0.0601","","","0.1932","0.1951","","","","","","1.705","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4022066","17.111","0.009","8.01","0.005","11.588","0.006","90","","105.1","0.02","90","","1533.4","1.4","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 Cl2 Rh2 -","- C38 H32 Cl2 Rh2 -","- C76 H64 Cl4 Rh4 -","2","0.5","","Guillaume Berthon-Gelloz; Tamio Hayashi","Expanding the C2-Symmetric Bicyclo[2.2.1]hepta-2,5-diene Ligand Family: Concise Synthesis and Catalytic Activity in Rhodium-Catalyzed Asymmetric Addition","Journal of Organic Chemistry","2006","71","","8957","8960","10.1021/jo061385s","","","0.71075","MoKα","","","0.0217","","","","0.0322","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022263","25.073","0.003","17.012","0.003","13.935","0.002","90","","91.307","0.004","90","","5942.6","1.6","294","2","294","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H58 Cl2 N4 O4 P2 Ru -","- C56 H58 Cl2 N4 O4 P2 Ru -","- C224 H232 Cl8 N16 O16 P8 Ru4 -","4","1","","Jing Wu; Hua Chen; Waihim Kwok; Rongwei Guo; Zhongyuan Zhou; Chihung Yeung; Albert S. C. Chan","Air-Stable Catalysts for Highly Efficient and Enantioselective Hydrogenation of Aromatic Ketones","Journal of Organic Chemistry","2002","67","","7908","7910","10.1021/jo026168f","","","0.71073","MoKα","","0.0723","0.0579","","","0.1647","0.1748","","","","","","1.161","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022396","17.92","0.001","7.3606","0.0005","17.285","0.001","90","","115.6","0.2","90","","2057","2","273.2","","273.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19.35 H29.7 Cl0.7 O5.5 -","- C19.175 H29.7 Cl0.7 O5.25 -","- C76.7 H118.8 Cl2.8 O21 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","0.7107","MoKα","","0.0875","0.0875","","0.1156","","0.1156","","","1.977","","","1.977","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022454","16.749","0.004","6.2476","0.0015","17.816","0.004","90","","106.363","0.005","90","","1788.8","0.7","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Jeffrey Marrero; Abimael D. Rodríguez; Peter Baran; Raphael G. Raptis","Isolation and Characterization of Kallosin A, a Novel Rearranged Pseudopterane Diterpenoid from the Caribbean Sea Plume Pseudopterogorgia kallos (Bielschowsky)","Journal of Organic Chemistry","2003","68","","4977","4979","10.1021/jo0343329","","","0.71073","MoKα","","0.1204","0.0534","","","0.1091","0.1339","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022492","19.21","0.02","24.62","0.03","15.707","0.019","90","","109.97","0.03","90","","6982","14","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C49 H90 O45 -","- C49 H74 O44.5 -","- C196 H296 O178 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.3059","0.1248","","","0.2469","0.3366","","","","","","0.978","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022511","18.601","0.013","6.823","0.002","15.622","0.007","90","","124.96","0.04","90","","1624.9","1.4","293","2","293","2","","","","","","","synthesized by the authors, see text","4","C 1 2 1","C 2y","5","(3S,5R,8S)-methyl 3-[N-(Boc)] amino-1-azabicyclo[3.3.0]octan-2-one 8-carboxylate","","","- C14 H22 N2 O5 -","- C14 H22 N2 O5 -","- C56 H88 N8 O20 -","4","1","","Evelyne Dietrich; William D. Lubell","Efficient Synthesis of Enantiopure Pyrrolizidinone Amino Acid","Journal of Organic Chemistry","2003","68","","6988","6996","10.1021/jo034739d","","","1.54056","CuKα","","0.0594","0.0472","","0.1134","","0.1091","","","0.847","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022608","10.4913","0.0005","7.4193","0.0003","21.3289","0.001","90","","95.36","0.002","90","","1652.94","0.13","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C14 H22 N2 O6 -","- C14 H22 N2 O6 -","- C56 H88 N8 O24 -","4","1","","Mallem H. V. Ramana Rao; Eulàlia Pinyol; William D. Lubell","Rigid Dipeptide Mimics: Synthesis of Enantiopure C6-Functionalized Pyrrolizidinone Amino Acids","Journal of Organic Chemistry","2007","72","","736","743","10.1021/jo0616761","","","1.54178","CuKα","","0.0596","0.0411","","","0.1056","0.123","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022613","11.689","0.001","9.363","0.001","11.234","0.001","90","","99.153","0.007","90","","1213.8","0.2","296.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H31 Cl2 N3 Zn -","- C49 H61 Cl4 N5 Zn -","- C98 H122 Cl8 N10 Zn2 -","2","0.5","","Jun'ichi Uenishi; Sachiko Aburatani; Taro Takami","Stereocomplexity and Stereoselective Synthesis of Triamine Molecules Bearing Four Chiral Carbon Centers: Stereodifferentiated Preparation of All 10 Stereoisomers of 2,6-Bis[1-(1-phenylethylamino)ethyl]pyridines","Journal of Organic Chemistry","2007","72","","132","138","10.1021/jo061729e","","","1.5418","CuKα","","","0.0242","","","","0.0683","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022682","37.875","0.003","7.1179","0.0005","6.4111","0.0004","90","","90.101","0.001","90","","1728.4","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H50 O17 -","- C34 H48 O17 -","- C68 H96 O34 -","2","0.5","","Marie-Christine Matos; Paul V. Murphy","Synthesis of Macrolide-Saccharide Hybrids by Ring-Closing Metathesis of Precursors Derived from Glycitols and Benzoic Acids","Journal of Organic Chemistry","2007","72","","1803","1806","10.1021/jo062159l","","","0.71073","MoKα","","0.0458","0.0419","","","0.1067","0.1114","","","","","","1.073","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022745","46.587","0.007","5.9312","0.0009","10.3447","0.0015","90","","94.075","0.002","90","","2851.2","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C33 H50 O2 -","- C33 H50 O2 -","- C132 H200 O8 -","4","1","","Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore","Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt","Journal of Organic Chemistry","2007","72","","1765","1769","10.1021/jo062300q","","","0.71073","MoKα","","0.0487","0.0441","","","0.1153","0.1192","","","","","","1.033","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022794","21.186","0.002","7.5405","0.001","12.8359","0.0012","90","","119.475","0.008","90","","1785.2","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H31 O3.5 -","- C19 H31 O3.5 -","- C76 H124 O14 -","4","1","","Marcin Górecki; Ewa Jabłońska; Anna Kruszewska; Suszczyńska; Zofia Urbańczyk-Lipkowska; Michael Gerards; Jacek W. Morzycki; Wojciech J. Szczepek; Jadwiga Frelek","Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo~2~(OAc)~4~","Journal of Organic Chemistry","2007","72","","2906","2916","10.1021/jo062445x","","","1.54178","CuKα","","0.1331","0.0505","","","0.1474","0.1815","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022926","21.1387","0.0009","5.0292","0.0002","14.2143","0.0006","90","","124.921","0.002","90","","1239.04","0.09","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C64 H48 N4 O4 -","2","0.5","","Karl B. Lindsay; Francesc Ferrando; Kasper L. Christensen; Jacob Overgaard; Tomàs Roca; M.-Lluïsa Bennasar; Troels Skrydstrup","SmI~2~-Promoted Radical Addition Reactions with N-(2-Indolylacyl)oxazolidinones: Synthesis of Bisindole Compounds","Journal of Organic Chemistry","2007","72","","4181","4188","10.1021/jo070273d","","","0.71073","MoKα","","","0.06","","","","0.047","","","","","","1.13","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022953","11.5256","0.001","7.2982","0.0004","33.073","0.003","90","","96.248","0.003","90","","2765.5","0.4","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2 1","C 2y","5","","2alpha,3beta-(3'-oxocyclohexano)-5beta-cholestane","","- C31 H52 O -","- C31 H52 O -","- C124 H208 O4 -","4","1","","Qiuling Song; Douglas M. Ho; Robert A. Pascal Jr.","The Supertristeroids: Large, Chiral, Molecular Bowls Prepared by Trimerization of Pentacyclic Steroidal Ketones","Journal of Organic Chemistry","2007","72","","4449","4453","10.1021/jo070458k","","","0.71073","MoKα","","0.0805","0.0639","","0.1217","","0.1142","","","1.125","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022954","11.3299","0.0007","7.5129","0.0004","32.62","0.002","90","","91.18","0.002","90","","2776","0.3","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2 1","C 2y","5","","4alpha,3beta-(3'-oxocyclohexano)-5beta-cholestane","","- C31 H52 O -","- C31 H52 O -","- C124 H208 O4 -","4","1","","Qiuling Song; Douglas M. Ho; Robert A. Pascal Jr.","The Supertristeroids: Large, Chiral, Molecular Bowls Prepared by Trimerization of Pentacyclic Steroidal Ketones","Journal of Organic Chemistry","2007","72","","4449","4453","10.1021/jo070458k","","","0.71073","MoKα","","0.0606","0.0478","","0.13","","0.1046","","","1.071","","","1.099","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022955","12.5645","0.0005","6.7283","0.0003","33.721","0.002","90","","91.284","0.002","90","","2850","0.2","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2 1","C 2y","5","","2alpha,3alpha-(3'-oxocyclohexano)-5beta-cholestane","","- C31 H52 O -","- C31 H52 O -","- C124 H208 O4 -","4","1","","Qiuling Song; Douglas M. Ho; Robert A. Pascal Jr.","The Supertristeroids: Large, Chiral, Molecular Bowls Prepared by Trimerization of Pentacyclic Steroidal Ketones","Journal of Organic Chemistry","2007","72","","4449","4453","10.1021/jo070458k","","","0.71073","MoKα","","0.0927","0.07","","0.2034","","0.186","","","1.026","","","1.11","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022956","30.363","0.008","11.064","0.003","8.571","0.002","90","","101.599","0.015","90","","2820.4","1.2","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H39 Al O5 -","- C33 H39 Al O5 -","- C132 H156 Al4 O20 -","4","1","","Christopher R. Graves; Hongying Zhou; Charlotte L. Stern; SonBinh T. Nguyen","A Mechanistic Investigation of the Asymmetric Meerwein-Schmidt-Ponndorf-Verley Reduction Catalyzed by BINOL/AlMe~3~-Structure, Kinetics, and Enantioselectivity","Journal of Organic Chemistry","2007","72","","9121","9133","10.1021/jo070563u","","","0.71073","MoKα","","0.0511","0.0419","","","0.1064","0.113","","","","","","1.044","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022957","26.568","0.0009","6.663","0.0002","12.383","0.0005","90","","107.242","0.002","90","","2093.56","0.13","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H27 N O6 V -","- C18 H27 N O6 V -","- C72 H108 N4 O24 V4 -","4","1","","Chien-Tien Chen; Sampada Bettigeri; Shiue-Shien Weng; Vijay D. Pawar; Ya-Hui Lin; Cheng-Yuan Liu; Way-Zen Lee","Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C~4~-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates","Journal of Organic Chemistry","2007","72","","8175","8185","10.1021/jo070575f","","","0.71073","MoKα","","0.0742","0.0601","","","0.1592","0.1764","","","","","","1.061","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022958","32.065","0.0003","6.57","0.0005","12.411","0.0008","90","0.002","104.904","0.002","90","0.002","2526.6","0.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H36 N O6 V -","- C22 H36 N O6 V -","- C88 H144 N4 O24 V4 -","4","1","","Chien-Tien Chen; Sampada Bettigeri; Shiue-Shien Weng; Vijay D. Pawar; Ya-Hui Lin; Cheng-Yuan Liu; Way-Zen Lee","Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C~4~-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates","Journal of Organic Chemistry","2007","72","","8175","8185","10.1021/jo070575f","","","0.71073","MoKα","","0.1089","0.0664","","","0.1516","0.1804","","","","","","1.012","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4023222","27.5649","0.0017","5.7448","0.0004","26.7615","0.0017","90","","115.727","0.001","90","","3817.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C49 H48 Fe P2 -","- C49 H48 Fe P2 -","- C196 H192 Fe4 P8 -","4","1","","Martin E. Fox; Mark Jackson; Ian C. Lennon; Jerzy Klosin; Khalil A. Abboud","Bis-(2,5-diphenylphospholanes) with sp^2^ Carbon Linkers: Synthesis and Application in Asymmetric Hydrogenation","Journal of Organic Chemistry","2008","73","","775","784","10.1021/jo7014938","","","0.71073","MoKα","","0.0398","0.0325","","","0.0688","0.0711","","","","","","0.99","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023298","31.045","0.01","5.649","0.003","10.113","0.004","90","","95.89","0.02","90","","1764.3","1.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Michael T. Crimmins; J. Michael Ellis","An Intramolecular Diels-Alder Strategy for the Asbestinins: Enantioselective Total Syntheses of 11-Acetoxy-4-deoxyasbestinin D and Asbestinin-12","Journal of Organic Chemistry","2008","73","","1649","1660","10.1021/jo0712695","","","0.71073","MoKα","","0.0749","0.0508","","","0.1137","0.1237","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023375","73.38","0.008","5.931","0.002","7.879","0.004","90","","90","0.04","90","","3429","2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H31 Br3 O8 -","- C36 H31 Br3 O8 -","- C144 H124 Br12 O32 -","4","1","","Douglass F. Taber; P. Ganapati Reddy; Kyle O. Arneson","A Potential Route to Neuroprostanes and Isoprostanes: Preparation of the Four Enantiomerically Pure Diastereomers of 13-F~4t~-NeuroP","Journal of Organic Chemistry","2008","73","","3467","3474","10.1021/jo702600v","","","0.71073","MoKα","","0.0461","0.0419","","","0.1018","0.1046","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023426","16.4478","0.0008","6.2864","0.0003","16.1368","0.0008","90","","95.529","0.002","90","","1660.74","0.14","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H25 N O4 Si -","- C14 H25 N O4 Si -","- C56 H100 N4 O16 Si4 -","4","1","","Carmen R. Alonso-Cruz; Alan R. Kennedy; María S. Rodríguez; Ernesto Suárez","Synthesis of Polyhydroxylated 2H-Azirines and 2-Halo-2H-azirines from 3-Azido-2,3-dideoxyhexopyranoses by Alkoxyl Radical Fragmentation","Journal of Organic Chemistry","2008","73","","4116","4122","10.1021/jo800182y","","","0.71073","MoKα","","0.0614","0.0413","","","0.0734","0.0798","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023441","25.7719","0.0003","9.74588","0.00016","18.1938","0.0002","90","","95.8354","0.0012","90","","4546.05","0.1","100","2","100","2","","","101","","","","synthesis","3","C 1 2 1","C 2y","5","trans,trans 1,3-bis-styrylepoxycalix[4]arene","5,17-bis-[(2R,3R)-3-phenyl-2-oxiranyl)-25,26,27,28-tetrapropyloxycalix[4]arene","","- C56 H60 O6 -","- C56 H60 O6 -","- C224 H240 O24 -","4","1","","Carlo Bonini; Lucia Chiummiento; Maria Funicello; Maria Teresa Lopardo; Paolo Lupattelli; Alessandro Laurita; Andrea Cornia","Novel Chiral Calix[4]arenes by Direct Asymmetric Epoxidation Reaction","Journal of Organic Chemistry","2008","73","","4233","4236","10.1021/jo800301m","","","1.54184","CuKα","","0.0422","0.034","","","0.0939","0.1022","","","","","","1.094","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023454","20.5404","0.0013","7.9786","0.0005","14.1152","0.001","90","","105.377","0.005","90","","2230.4","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","KOB12","","","- C24 H27 N3 O7 -","- C24 H27 N3 O7 -","- C96 H108 N12 O28 -","4","1","","Cynthia B. Gilley; Yoshihisa Kobayashi","2-Nitrophenyl Isocyanide as a Versatile Convertible Isocyanide: Rapid Access to a Fused γ-Lactam β-Lactone Bicycle","Journal of Organic Chemistry","2008","73","","4198","4204","10.1021/jo800486k","","","1.54178","CuKα","","0.0693","0.049","","","0.1034","0.1145","","","","","","1.021","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4023463","30.474","0.006","10.554","0.002","11.801","0.002","90","","94.31","0.03","90","","3784.7","1.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C62 H92 O24 P2 S2 Se2 -","- C62 H92 O24 P2 S2 Se2 -","- C124 H184 O48 P4 S4 Se4 -","2","0.5","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","","0.71073","MoKα","","0.0471","0.0448","","","0.1315","0.1353","","","","","","1.177","","","","has coordinates","189768","2020-10-21","18:00:00",""
"4023465","29.875","0.001","10.4","0.001","11.628","0.001","90","","93.891","0.001","90","","3604.5","0.5","103","1","103","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C62 H92 O24 P2 S2.79 Se1.22 -","- C62 H92 O24 P2 S2.792 Se1.208 -","- C124 H184 O48 P4 S5.584 Se2.416 -","2","0.5","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","single crystal","x-ray","0.71074","MoKα","K-L~2,3~","0.0597","0.0377","","","0.0941","0.1015","","","","","","1.105","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023831","22.551","0.01","8.405","0.003","15.485","0.007","90","","93.528","0.008","90","","2929","2","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H33 Cl4 N3 O2 S -","- C24 H33 Cl4 N3 O2 S -","- C96 H132 Cl16 N12 O8 S4 -","4","1","","Xue-Li Geng; Jia Wang; Guo-Xing Li; Peng Chen; Shu-Fang Tian; Jin Qu","Kinetic Resolution of Racemic Alcohols Using Thioamide Modified 1-Methyl-histidine Methyl Ester","Journal of Organic Chemistry","2008","73","","8558","8562","10.1021/jo801859m","","","0.7107","MoKα","","0.0989","0.0791","","","0.2095","0.2272","","","","","","1.078","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023941","18.451","0.003","8.185","0.001","13.7757","0.0017","90","","101.249","0.004","90","","2040.4","0.4","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O -","- C27 H29 N O -","- C108 H116 N4 O4 -","4","1","","Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto","Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B","Journal of Organic Chemistry","2007","72","","4611","4620","10.1021/jo062423a","","","0.71069","MoKα","","0.0346","0.0313","","","0.0708","0.0724","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023953","14.4454","0.0004","7.211","0.0002","14.2431","0.0005","90","","105.992","0.001","90","","1426.23","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","1-Benzoyl-2(S)-iso-propyl-5-bromo-2,3-dihydro-4(H)-pyrimidin-4-one","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Blanca R. Díaz-Sánchez; Martín A. Iglesias-Arteaga; Roberto Melgar-Fernández; Eusebio Juaristi","Synthesis of 2-Substituted-5-halo-2,3-dihydro-4(H)-pyrimidin-4-ones and Their Derivatization Utilizing the Sonogashira Coupling Reaction in the Enantioselective Synthesis of α-Substituted β-Amino Acids","Journal of Organic Chemistry","2007","72","","4822","4825","10.1021/jo0705115","","","0.71073","MoKα","","0.0447","0.0405","","","0.0987","0.1022","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024084","45.0275","0.0016","7.2114","0.0003","6.1034","0.0002","90","","95.116","0.002","90","","1973.95","0.13","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 N2 O S -","- C23 H19 F3 N2 O S -","- C92 H76 F12 N8 O4 S4 -","4","1","","José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso","Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2007","72","","5994","6005","10.1021/jo0705519","","","1.54178","CuKα","","0.0502","0.0436","","","0.1078","0.1125","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024238","15.423","0.002","13.0638","0.0018","16.267","0.002","90","","100.976","0.002","90","","3217.6","0.8","30","2","30","2","","","","","","","","3","C 1 2 1","C 2y","5","tetraphenylene","Dideuteriotetraphenylene","","- C24 H12 D4 -","- C24 H12 D4 -","- C192 H96 D32 -","8","2","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","neutron","0","polychromaticbeamofneutrons","","0.079","0.079","","","0.1991","0.1991","","","","","","1.023","","","","has coordinates","190777","2020-10-21","18:00:00",""
"4024383","17.6506","0.0003","5.65986","0.00009","19.6269","0.0003","90","","112.271","0.002","90","","1814.46","0.06","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 Br3 Cl O3 -","- C15 H18 Br3 Cl O3 -","- C60 H72 Br12 Cl4 O12 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0436","0.0306","","","0.0577","0.0604","","","","","","0.901","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024443","12.651","0.003","5.5009","0.0011","19.408","0.004","90","","92.321","0.016","90","","1349.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H17 N O5 S -","- C12 H17 N O5 S -","- C48 H68 N4 O20 S4 -","4","1","","Appu Aravind; Muthukumar Gomathi Sankar; Babu Varghese; Sundarababu Baskaran","Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol","Journal of Organic Chemistry","2009","74","","2858","2861","10.1021/jo900030p","","","0.71073","MoKα","","0.0701","0.0572","","","0.1517","0.1704","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024473","27.856","0.003","6.5846","0.0007","10.3007","0.0011","90","","104.099","0.002","90","","1832.4","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0535","0.0474","","","0.1181","0.1222","","","","","","1.052","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024526","19.0217","0.0005","6.1365","0.0001","20.6038","0.0005","90","","106.897","0.003","90","","2301.19","0.1","123","","123","","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0463","0.0432","","","0.1151","0.1175","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024530","19.0053","0.0005","6.12864","0.00016","20.606","0.0007","90","","106.886","0.003","90","","2296.64","0.12","123","","123","","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0376","0.0336","","","0.0855","0.0878","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024534","12.5603","0.0011","18.4561","0.0011","12.4825","0.0009","90","","90","","90","","2893.6","0.4","446","2","446","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H44 N4 O2 S2 -","- C28 H44 N4 O2 S2 -","- C112 H176 N16 O8 S8 -","4","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","","0.71073","MoKα","","0.0326","0.0279","","","0.0525","0.0541","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024567","23.982","0.004","6.0546","0.0007","12.621","0.002","90","","92.222","0.019","90","","1831.1","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","N. Deppermann; A. H. G. P. Prenzel; A. Beitat; W. Maison","Synthesis of Proline-Based Diketopiperazine Scaffolds","Journal of Organic Chemistry","2009","74","","4267","4271","10.1021/jo9004876","","","0.71073","MoKα","","0.1146","0.0761","","","0.1554","0.1805","","","","","","0.948","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024730","18.7017","0.0009","5.9044","0.0003","9.0335","0.0005","90","","95.768","0.001","90","","992.45","0.09","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0354","0.0318","","","0.0815","0.0838","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024774","18.73","0.003","9.237","0.0013","25.6","0.004","90","","110.787","0.002","90","","4140.7","1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O6 -","- C25 H22 N O6 -","- C200 H176 N8 O48 -","8","2","","Chunyong Ding; Shanghui Tu; Fuying Li; Yuanxiang Wang; Qizheng Yao; Wenxiang Hu; Hua Xie; Linghua Meng; Ao Zhang","Synthesis Study on Marmycin A: Preparation of the C3'-Desmethyl Analogues","Journal of Organic Chemistry","2009","74","","6111","6119","10.1021/jo9011078","","","0.71073","MoKα","","0.1741","0.1104","","","0.222","0.2538","","","","","","1.115","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024904","24.413","0.003","5.8853","0.0009","19.075","0.002","90","","126.069","0.002","90","","2215.3","0.5","173.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 F3 N O3 S -","- C24 H20 F3 N O3 S -","- C96 H80 F12 N4 O12 S4 -","4","1","","Gaku Hattori; Akiko Yoshida; Yoshihiro Miyake; Yoshiaki Nishibayashi","Enantioselective Ring-Opening Reactions of Racemic Ethynyl Epoxides via Copper-Allenylidene Intermediates: Efficient Approach to Chiral β-Amino Alcohols","Journal of Organic Chemistry","2009","74","","7603","7607","10.1021/jo901064n","","","0.71075","MoKα","","","0.0517","","","","0.1203","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025422","25.32","0.005","5.5127","0.001","13.832","0.002","90","","113.078","0.003","90","","1776.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Ben-Hu Zhu; Rui Zhou; Jun-Cheng Zheng; Xian-Ming Deng; Xiu-Li Sun; Qi Shen; Yong Tang","Highly Selective Ylide-Initiated Michael Addition/Cyclization Reaction for Synthesis of Cyclohexadiene Epoxide and Vinylcyclopropane Derivatives","Journal of Organic Chemistry","2010","75","","3454","3457","10.1021/jo100306z","","","0.71073","MoKα","","0.0932","0.0647","","","0.1471","0.1558","","","","","","0.866","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025493","29.1468","0.0005","8.29097","0.00015","15.9705","0.0003","90","","111.328","0.0007","90","","3595.05","0.11","299.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H51 N O6 -","- C36 H51 N O6 -","- C144 H204 N4 O24 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0427","","","","0.1169","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025497","18.25","0.003","5.7487","0.001","18.732","0.003","90","","106.099","0.004","90","","1888.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 Br O3 -","- C20 H20 Br O3 -","- C80 H80 Br4 O12 -","4","1","","Soumitra Maity; Kiran Matcha; Subrata Ghosh","Synthetic Studies on Schisandra nortriterpenoids. Stereocontrolled Synthesis of Enantiopure C-5-epiABC Ring Systems of Micrandilactone A and Lancifodilactone G Using RCM","Journal of Organic Chemistry","2010","75","","4192","4200","10.1021/jo1006448","","","0.71073","MoKα","","0.0909","0.0601","","","0.1566","0.1691","","","","","","1.027","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025525","30.054","0.009","8.076","0.003","16.13","0.005","90","","109.472","0.01","90","","3691","2","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 O Si -","- C21 H23 O Si -","- C168 H184 O8 Si8 -","8","2","","Ryota Wakabayashi; Daishi Fujino; Sayuri Hayashi; Hideki Yorimitsu; Koichiro Oshima","Palladium-Catalyzed Allylation of Aryl Halides with Homoallyl Alcohols Bearing a Trisubstituted Double Bond: Application to Chirality Transfer from Hydroxylated Carbon to Benzylic One","Journal of Organic Chemistry","2010","75","","4337","4343","10.1021/jo100857d","","","0.71075","MoKα","","0.1073","0.048","","","0.1149","0.17","","","","","","1.153","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025551","18.5535","0.0005","10.3706","0.0003","11.6952","0.0003","90","","110.934","0.001","90","","2101.75","0.1","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H25 Cl3 N2 O5 -","- C17 H25 Cl3 N2 O5 -","- C68 H100 Cl12 N8 O20 -","4","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0574","0.0417","","","0.1076","0.1171","","","","","","1.039","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025645","26.5869","0.0012","5.4737","0.0003","14.5005","0.0007","90","","95.769","0.001","90","","2099.55","0.18","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H28 Cl N O2 -","- C24 H28 Cl N O2 -","- C96 H112 Cl4 N4 O8 -","4","1","","Stijn Dekeukeleire; Matthias D'hooghe; Karl Wilhelm Törnroos; Norbert De Kimpe","Stereoselective Synthesis of Chiral 4-(1-Chloroalkyl)-β-Lactams Starting from Amino Acids and Their Transformation into Functionalized Chiral Azetidines and Pyrrolidines","Journal of Organic Chemistry","2010","75","","5934","5940","10.1021/jo101220q","","","0.71073","MoKα","","0.0298","0.0292","","","0.0838","0.0845","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025700","14.93","0.001","6.9429","0.0005","15.804","0.001","90","","90.334","0.007","90","","1638.18","0.19","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C64 H76 N4 O24 -","4","1","","Patricia Y. Hayes; Sharon Chow; Fredrik Rahm; Paul V. Bernhardt; James J. De Voss; William Kitching","Synthesis of the Sponge-Derived Plakortone Series of Bioactive Compounds","Journal of Organic Chemistry","2010","75","","6489","6501","10.1021/jo101224w","","x-ray","0.71073","MoKα","","0.0738","0.0413","","","0.1035","0.1193","","","","","","1.049","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025804","29.496","0.006","8.2267","0.0018","10.584","0.002","90","","108.523","0.005","90","","2435.2","0.9","144","2","144","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H15 N5 O2 -","- C11 H15 N5 O2 -","- C88 H120 N40 O16 -","8","2","","Hisao Saneyoshi; Jeffrey R. Deschamps; Victor E. Marquez","Synthesis of Conformationally Locked l-Deoxythreosyl Phosphonate Nucleosides Built on a Bicyclo[3.1.0]hexane Template","Journal of Organic Chemistry","2010","75","","7659","7669","10.1021/jo101475p","","","0.71073","MoKα","","0.0959","0.0757","","","0.2187","0.2388","","","","","","1.166","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025813","41.893","0.002","6.8695","0.0003","8.4203","0.0003","90","","90.833","0.002","90","","2422.97","0.18","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O4 -","- C28 H34 N2 O4 -","- C112 H136 N8 O16 -","4","1","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.1232","0.0752","","","0.1224","0.1414","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026063","36.417","0.012","13.382","0.005","11.873","0.004","90","","102.36","0.004","90","","5652","3","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45.28 H80.47 N11 O13.5 -","- C45.26 H80.44 N11 O13.5 -","- C181.04 H321.76 N44 O54 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.0489","0.0392","","","0.0998","0.1076","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026068","21.304","0.004","4.046","0.001","17.685","0.004","90","","107.05","0.03","90","","1457.4","0.6","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","methyloxycarbonyl epoxide","","","- C6 H8 O5 -","- C6 H8 O5 -","- C48 H64 O40 -","8","2","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.71068","MoKα","","0.0562","0.0341","","","","0.0359","0.0555","","","","","1.246","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026110","17.42","0.0003","11.1931","0.0002","19.4979","0.0005","90","","113.113","0.001","90","","3496.62","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 N O6 Si -","- C39 H41 N O6 Si -","- C156 H164 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0308","0.0305","","","0.081","0.0813","","","","","","1.024","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026111","18.2912","0.0004","10.635","0.0002","15.6481","0.0003","90","","92.608","0.001","90","","3040.82","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H35 N O6 Si -","- C33 H35 N O6 Si -","- C132 H140 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0246","0.0246","","","0.0653","0.0654","","","","","","1.052","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026126","14.6662","0.0004","10.1239","0.0003","19.1996","0.0005","90","","92.428","0.002","90","","2848.18","0.14","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-6-(2-Methoxynaphthalen-1-yl)-4,7-dimethyl-2-(toluene-4- sulfonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid isopropyl ester","","- C32 H33 N O5 S -","- C32 H33 N O5 S -","- C128 H132 N4 O20 S4 -","4","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0754","0.0537","","","0.1246","0.1443","","","","","","1.09","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026219","15.1192","0.0007","8.3556","0.0003","9.8683","0.0003","90","","90.894","0.003","90","","1246.51","0.08","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 N O4 -","- C15 H16 N O4 -","- C60 H64 N4 O16 -","4","1","","Jutatip Boonsompat; Albert Padwa","An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine","Journal of Organic Chemistry","2011","76","","2753","2761","10.1021/jo200125c","","","1.54178","CuKα","","0.0405","0.0378","","","0.1066","0.108","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026224","21.235","0.017","8.271","0.007","13.904","0.011","90","","92.777","0.011","90","","2439","3","173.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C104 H108 Br4 O16 -","4","1","","Shuji Yamashita; Kentaro Iso; Kazuki Kitajima; Masafumi Himuro; Masahiro Hirama","Total Synthesis of Cortistatins A and J","Journal of Organic Chemistry","2011","76","","2408","2425","10.1021/jo2002616","","","0.7107","MoKα","","","0.0687","","","","0.1967","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026292","26.598","0.002","5.0807","0.0007","20.974","0.0018","90","","111.055","0.013","90","","2645.1","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C120 H112 O40 -","8","2","","Tao Liu; Youming Wang; Guiping Wu; Haibin Song; Zhenghong Zhou; Chuchi Tang","Organocatalyzed Enantioselective Michael Addition of 2-Hydroxy-1,4-naphthoquinone to β,γ-Unsaturated α-Ketophosphonates","Journal of Organic Chemistry","2011","76","","4119","4124","10.1021/jo2002825","","","1.54187","CuKα","","0.058","0.0547","","","0.1394","0.1458","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026349","22.19","0.006","6.1816","0.0015","9.337","0.002","90","","91.448","0.004","90","","1280.3","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H11 Cl F4 N2 O S -","- C8 H11 Cl F4 N2 O S -","- C32 H44 Cl4 F16 N8 O4 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0671","0.0574","","","0.1544","0.1739","","","","","","1.011","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026350","25.2","0.005","5.6924","0.0011","11.547","0.002","90","","106.213","0.003","90","","1590.5","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H10 Cl F4 N O3 S -","- C12 H10 Cl F4 N O3 S -","- C48 H40 Cl4 F16 N4 O12 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0913","0.0843","","","0.2141","0.225","","","","","","1.053","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026367","24.184","0.005","12.837","0.003","7.0688","0.0015","90","","92.193","0.004","90","","2192.9","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl2 N3 O -","- C25 H19 Cl2 N3 O -","- C100 H76 Cl8 N12 O4 -","4","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0676","0.0533","","","0.1085","0.1169","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026374","5.73792","0.00011","7.6761","0.0002","42.7479","0.0009","90","","90.9711","0.0018","90","","1882.55","0.07","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H38 F N O -","- C18 H38 F N O -","- C72 H152 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","1.54184","CuKα","","0.0736","0.0728","","0.0805","0.0792","0.0788","","","","","","0.9582","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026396","29.779","0.003","12.9861","0.0015","8.9843","0.001","90","","92.459","0.002","90","","3471.1","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 N O7 S2 -","- C34 H37 N O6 S2 -","- C136 H148 N4 O24 S8 -","4","1","","Virginia M. Mastranzo; Francisco Yuste; Benjamín Ortiz; Rubén Sánchez-Obregón; Rubén A. Toscano; José L. García Ruano","Asymmetric Synthesis of (S)-(-)-Xylopinine. Use of the Sulfinyl Group as an Ipso Director in Aromatic SE","Journal of Organic Chemistry","2011","76","","5036","5041","10.1021/jo2007237","","","0.71073","MoKα","","0.0369","0.0357","","","0.0875","0.0882","","","","","","1.066","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026521","21.995","0.004","5.7088","0.0009","35.394","0.005","90","","102.439","0.009","90","","4339.9","1.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H26 F N O4 -","- C27 H26 F N O4 -","- C216 H208 F8 N8 O32 -","8","2","","Michał Michalak; Maciej Stodulski; Sebastian Stecko; Adam Mames; Irma Panfil; Magdalena Soluch; Bartłomiej Furman; Marek Chmielewski","A Formal Synthesis of Ezetimibe via Cycloaddition/Rearrangement Cascade Reaction","Journal of Organic Chemistry","2011","76","","6931","6936","10.1021/jo2010846","","","0.71073","MoKα","","0.0473","0.0399","","","0.0864","0.0897","","","","","","1.05","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026554","18.534","0.004","8.8696","0.0017","13.761","0.003","90","","97.078","0.008","90","","2244.9","0.8","100","","100","","","","","","","","methanol/dichloromethane,","5","C 1 2 1","C 2y","5","","ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl- amido-(R)-1-ethyl-methylsulfonate","","- C21 H21 N7 O5 S -","- C21 H21 N7 O5 S -","- C84 H84 N28 O20 S4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.1295","0.0408","","","0.0883","0.0922","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026579","34.92","0.005","9.8441","0.0015","16.837","0.002","90","","116.653","0.002","90","","5172.8","1.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","Dan Eddings Ag-1","Silver(I) chloride complex with chiral (all R) pyrazol","","- C31 H28 Ag Cl N2 -","- C31 H28 Ag Cl N2 -","- C248 H224 Ag8 Cl8 N16 -","8","2","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0634","0.0409","","","0.0753","0.0857","","","","","","0.998","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026580","15.7516","0.0011","11.2673","0.0008","14.1985","0.001","90","","115.097","0.001","90","","2282","0.3","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Chiral Cu(I)-Cl-pyrazolyl-complex","","- C53 H58 Cl Cu N2 O -","- C53 H58 Cl Cu N2 O -","- C106 H116 Cl2 Cu2 N4 O2 -","2","0.5","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0579","0.0438","","","0.1031","0.1118","","","","","","1.03","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026716","27.166","0.0014","7.5426","0.0004","17.829","0.0009","90","","108.241","0.003","90","","3469.6","0.3","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H53 N6 O10.5 -","- C28 H46 N6 O10.5 -","- C112 H184 N24 O42 -","4","1","","Sujeewa Ranatunga; Jinsoo S. Kim; Ujjwal Pal; Juan R. Del Valle","An Ester Enolate-Claisen Rearrangement Route to Substituted 4-Alkylideneprolines. Studies toward a Definitive Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2011","76","","8962","8976","10.1021/jo201727g","","","0.71073","MoKα","","0.0637","0.0501","","","0.1195","0.128","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026822","26.3811","0.0009","6.9702","0.0003","11.4961","0.0005","90","","96.058","0.002","90","","2102.12","0.15","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0335","0.0322","","","0.0824","0.0844","","","","","","1.042","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026868","23.18","0.03","5.353","0.006","12.036","0.013","90","","90.93","0.03","90","","1493","3","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Christopher J. Bartlett; David P. Day; Yohan Chan; Steven M. Allin; Michael J. McKenzie; Alexandra M. Z. Slawin; Philip C. Bulman Page","Enantioselective Total Synthesis of (+)-Scuteflorin A Using Organocatalytic Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","772","774","10.1021/jo2021407","","","0.71073","MoKα","","0.2189","0.1817","","","0.4014","0.4379","","","","","","1.187","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026913","18.913","0.011","6.478","0.004","22.834","0.013","90","","110.889","0.007","90","","2614","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H34 N2 O2 S -","- C27 H34 N2 O2 S -","- C108 H136 N8 O8 S4 -","4","1","","Zhihua Liu; Sukeshi J. Mehta; Kwang-Soo Lee; Bryan Grossman; Hongchang Qu; Xuyuan Gu; Gary S. Nichol; Victor J. Hruby","Thio-Claisen Rearrangement Used in Preparing Anti-β-Functionalized γ,δ-Unsaturated Amino Acids: Scope and Limitations","Journal of Organic Chemistry","2012","77","","1289","1300","10.1021/jo201753q","","","0.71073","MoKα","","0.1276","0.066","","","0.1528","0.1939","","","","","","1.005","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026997","20.919","0.0009","24.1923","0.0016","15.2145","0.0007","90","","121.565","0.003","90","","6560.5","0.6","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C63.5 H47 N2 O12.5 -","- C63.5 H47 N2 O12.5 -","- C254 H188 N8 O50 -","4","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1101","0.0967","","","0.2725","0.2931","","","","","","1.304","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027040","58.012","0.006","6.97","0.0006","10.0048","0.0009","90","","95.132","0.003","90","","4029.2","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H60 N4 -","- C51 H60 N4 -","- C204 H240 N16 -","4","1","","Andrzej Rajca; Przemysław J. Boratyński; Arnon Olankitwanit; Kouichi Shiraishi; Maren Pink; Suchada Rajca","Ladder Oligo(m-aniline)s: Derivatives of Azaacenes with Cross-Conjugated π-Systems","Journal of Organic Chemistry","2012","77","","2107","2120","10.1021/jo2025948","","","0.49595","","","0.1696","0.0786","","","0.1798","0.2202","","","","","","0.892","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027083","17.5575","0.0009","5.9446","0.0003","19.3228","0.001","90","","109.387","0.0012","90","","1902.41","0.17","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0373","","","","0.0918","","","","","","1.083","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027139","29.312","0.003","7.4728","0.0014","28.123","0.003","90","","116.015","0.008","90","","5536","1.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H42 Si4 -","- C24 H42 Si4 -","- C192 H336 Si32 -","8","2","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.1726","0.1204","","","0.2865","0.3277","","","","","","0.985","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027184","22.202","0.005","5.6791","0.0011","16.357","0.003","90","","103.799","0.014","90","","2002.9","0.7","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H23 N -","- C27 H23 N -","- C108 H92 N4 -","4","1","","Yilin Liu; Ziping Cao; Haifeng Du","Asymmetric Allylic Alkylation of Pyrroles and 4,7-Dihydroindoles with Alkene-Phosphine Ligands","Journal of Organic Chemistry","2012","77","","4479","4483","10.1021/jo300539y","","","1.54186","CuKα","","0.083","0.0649","","","0.1406","0.1529","","","","","","1.141","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027233","20.0342","0.0007","8.4347","0.0003","6.9512","0.0002","90","","95.392","0.002","90","","1169.43","0.07","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 F N2 O4 -","- C12 H15 F N2 O4 -","- C48 H60 F4 N8 O16 -","4","1","","Punit P. Seth; Jinghua Yu; Ali Jazayeri; Pradeep S. Pallan; Charles R Allerson; Michael E. Østergaard; Fengwu Liu; Piet Herdewijn; Martin Egli; Eric E. Swayze","Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA","Journal of Organic Chemistry","2012","77","","5074","5085","10.1021/jo300594b","","","1.54178","CuKα","","0.0254","0.0249","","","0.0645","0.0649","","","","","","1.054","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027259","19.998","0.002","5.522","0.001","18.252","0.005","90","","96.127","0.005","90","","2004","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4S,5S,6S)-N-benzyl-5-(benzylamino)-6-hydroxy-1,2,3-oxathiazepane -4-carboxamide 2,2-dioxide","","- C19 H23 N3 O5 S -","- C19 H23 N3 O5 S -","- C76 H92 N12 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71069","MoKα","","0.0841","0.0564","","","0.099","0.1123","","","","","","1.104","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027328","10.855","0.002","6.9558","0.0014","20.812","0.004","90","","93.333","0.004","90","","1568.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Sritama Bose; Manju Ghosh; Subrata Ghosh","Domino Ring-Opening Metathesis-Ring-Closing Metathesis of Bicyclo[2.2.2]octene Derivatives: Scope and Limitations","Journal of Organic Chemistry","2012","77","","6345","6350","10.1021/jo300945b","","","0.71073","MoKα","","0.0549","0.0471","","","0.1222","0.1337","","","","","","0.904","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027364","29.1512","0.0011","10.2639","0.0007","8.9612","0.0004","90","","96.206","0.004","90","","2665.5","0.2","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H22 Br2 N2 O5 -","- C29 H22 Br2 N2 O5 -","- C116 H88 Br8 N8 O20 -","4","1","","Wenguo Yang; Davin Tan; Lixin Li; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Choon-Hong Tan; Zhiyong Jiang","Direct Asymmetric Allylic Alkenylation of N-Itaconimides with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2012","77","","6600","6607","10.1021/jo3012539","","","1.5418","CuKα","","0.0375","0.0358","","","0.0944","0.0967","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027472","21.3898","0.0014","9.7688","0.0008","12.5363","0.0009","90","","109.462","0.005","90","","2469.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C96 H120 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1331","0.0663","","","0.1291","0.1847","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027510","19.6136","0.0012","7.3535","0.0004","16.0097","0.001","90","","100.394","0.004","90","","2271.2","0.2","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H33 N O2 Si -","- C24 H33 N O2 Si -","- C96 H132 N4 O8 Si4 -","4","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0401","0.0347","","","0.0795","0.0828","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027638","29.813","0.004","9.5757","0.0016","11.6715","0.0018","90","","111.443","0.008","90","","3101.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C31 H33 N3 O9 -","- C31 H33 N3 O9 -","- C124 H132 N12 O36 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1183","0.0951","","","0.2455","0.2649","","","","","","1.09","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027642","17.8975","0.0007","7.3027","0.0003","28.5293","0.0011","90","","103.955","0.002","90","","3618.7","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C33 H38 N4 O5 Si -","- C33 H38 N4 O5 Si -","- C132 H152 N16 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0643","0.0612","","","0.1641","0.1676","","","","","","1.048","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027703","14.2526","0.0012","8.9791","0.001","9.7106","0.0005","90","","129.481","0.004","90","","959.17","0.15","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H8 Cl2 O4 -","- C7 H8 Cl2 O4 -","- C28 H32 Cl8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0341","0.0301","","","0.0652","0.0664","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027775","19.234","0.004","12.276","0.003","10.907","0.002","90","","114.84","0.03","90","","2337.1","1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H25 N2 O7 P S -","- C15 H25 N2 O7 P S -","- C60 H100 N8 O28 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","1.54178","CuKα","","0.076","0.0726","","","0.1906","0.1983","","","","","","1.122","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027846","18.527","0.0003","7.489","0.0001","11.4673","0.0002","90","","96.453","0.002","90","","1580.99","0.04","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0364","0.0351","","","0.0974","0.0986","","","","","","1.05","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027892","24.705","0.009","6.725","0.003","11.915","0.004","90","","97.458","0.009","90","","1962.8","1.3","117","2","117","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H33 N O3.1 Si -","- C19 H33 N O3.098 Si -","- C76 H132 N4 O12.392 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.0482","0.0373","","","0.0793","0.0845","","","","","","1.024","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027974","14.202","0.002","6.261","0.0009","19.724","0.003","90","","94.402","0.002","90","","1748.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0687","0.0461","","","0.0892","0.0989","","","","","","1.015","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028061","55.846","0.012","6.9266","0.0014","44.338","0.01","90","","95.087","0.017","90","","17083","6","120","2","120","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C38 H32 -","- C38 H32 -","- C912 H768 -","24","6","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.2051","0.1536","","","0.4004","0.4437","","","","","","1.708","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028093","29.031","0.002","6.2194","0.0003","13.9536","0.0007","90","","110.789","0.007","90","","2355.4","0.3","135","0.1","135","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25.5 H30 Cl N3 O4 -","- C25.5 H30 Cl N3 O4 -","- C102 H120 Cl4 N12 O16 -","4","1","","Liang Xia; Sheng Li; Ruijiao Chen; Kai Liu; Xiaochuan Chen","Catalytic Ugi-Type Condensation of α-Isocyanoacetamide and Chiral Cyclic Imine: Access to Asymmetric Construction of Several Heterocycles","Journal of Organic Chemistry","2013","78","","3120","3131","10.1021/jo4000702","","","0.7107","MoKα","","0.0526","0.037","","","0.0669","0.0705","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028153","19.4022","0.0008","8.942","0.0004","14.2378","0.0006","90","","93.347","0.001","90","","2465.97","0.18","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H31 N O3 S Si -","- C26 H31 N O3 S Si -","- C104 H124 N4 O12 S4 Si4 -","4","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.1345","0.134","","","0.3943","0.3947","","","","","","4.123","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028316","21.2731","0.0016","5.6491","0.0005","12.1122","0.0008","90","","98.13","0.002","90","","1440.94","0.19","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Hsin-Yi Wu; Chih-Wei Chang; Rong-Jie Chein","Enantioselective Synthesis of (Thiolan-2-yl)diphenylmethanol and Its Application in Asymmetric, Catalytic Sulfur Ylide-Mediated Epoxidation","Journal of Organic Chemistry","2013","78","","5788","5793","10.1021/jo400648f","","","0.71073","MoKα","","0.0684","0.0461","","","0.0851","0.0942","","","","","","1.019","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028437","19.18","0.05","9.99","0.03","7.58","0.02","90","","94.11","0.03","90","","1449","7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.1573","0.1117","","","0.3156","0.3815","","","","","","0.96","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028475","26.6463","0.0003","8.8622","0.0001","13.5771","0.0001","90","","119.908","0.001","90","","2779.19","0.06","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H3 Br Cl2 I2 N2 -","- C10 H3 Br Cl2 I2 N2 -","- C80 H24 Br8 Cl16 I16 N16 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0158","0.0152","","","0.0348","0.035","","","","","","1.08","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028624","16.8589","0.0008","5.7629","0.0002","17.1929","0.0008","90","","97.666","0.003","90","","1655.47","0.12","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C76 H72 Cl4 N12 O4 -","4","1","","Takahiro Sawano; Keiyu Ou; Takahiro Nishimura; Tamio Hayashi","Cobalt-Catalyzed Asymmetric Addition of Silylacetylenes to 1,1-Disubstituted Allenes","Journal of Organic Chemistry","2013","78","","8986","8993","10.1021/jo401604n","","","1.54187","CuKα","","0.1483","0.0734","","","0.1445","0.2062","","","","","","1.087","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028741","15.67","0.003","10.967","0.003","21.785","0.006","90","","107.289","0.008","90","","3574.7","1.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H38 N4 Ni O3 -","- C42 H38 N4 Ni O3 -","- C168 H152 N16 Ni4 O12 -","4","1","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1402","0.0738","","","0.1478","0.1694","","","","","","0.911","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028751","20.014","0.004","6.1055","0.0012","20.653","0.004","90","","101.36","0.03","90","","2474.3","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N3 O6 P -","- C21 H32 N3 O6 P -","- C84 H128 N12 O24 P4 -","4","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.1079","0.0821","","","0.1732","0.1898","","","","","","1.133","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028833","48.52","0.005","9.321","0.0009","37.635","0.004","90","","107.421","0.002","90","","16240","3","200","2","200","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","Boc-(Leu-Aib-D-Leu-Aib)3-OMe","","- C66 H120 N12 O15 -","- C66 H120 N12 O15 -","- C528 H960 N96 O120 -","8","2","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.1112","0.0983","","","0.2628","0.2682","","","","","","2.232","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028880","18.621","0.006","9.489","0.003","11.431","0.003","90","","96.732","0.008","90","","2005.9","1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H38 Cl6 F6 N4 O2 -","- C38 H38 Cl6 F6 N4 O2 -","- C76 H76 Cl12 F12 N8 O4 -","2","0.5","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.1","0.0882","","","0.1975","0.2049","","","","","","1.058","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028920","23.6192","0.001","6.7822","0.0003","16.8873","0.0006","90","","119.234","0.004","90","","2360.63","0.19","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","(5S,6S)-1,4-Dimethyl-5,6-diphenyl-2,3-piperazinedione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C108 H108 N12 O12 -","6","1.5","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0415","0.0314","","","0.0794","0.0867","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029032","14.549","0.003","5.7568","0.0012","14.436","0.003","90","","91.193","0.006","90","","1208.8","0.4","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H12 N3 O2 S -","- C14 H13.5 O2 S -","- C56 H54 O8 S4 -","4","1","","Kamimura, Akio; Nokubi, Tomomi; Watanabe, Ryusuke; Ishikawa, Mari; Nasu, Kotaro; Uno, Hidemitsu; Sumimoto, Michinori","4,4'-Diarylsulfanyl-2,2',5,5'-tetraoxybiaryl Derivatives as a Water-Soluble Fluorescent Dye.","The Journal of organic chemistry","2014","79","3","1068","","10.1021/jo402522y","","","0.71075","MoKα","","","0.0548","","","","0.0561","","","","","","5.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029428","41.527","0.006","11.0922","0.0017","26.113","0.004","90","","123.323","0.003","90","","10051","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 Br N4 O4 -","- C25 H25 Br N4 O4 -","- C400 H400 Br16 N64 O64 -","16","4","","Li, Tian-Ze; Wang, Xi-Bo; Sha, Feng; Wu, Xin-Yan","Organocatalyzed enantioselective mannich reaction of pyrazoleamides with isatin-derived ketimines.","The Journal of organic chemistry","2014","79","10","4332","4339","10.1021/jo500145w","","","0.71073","MoKα","","0.1365","0.0568","","","0.1117","0.1387","","","","","","0.969","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029481","18.609","0.004","20","0.004","21.577","0.004","90","","107.06","0.03","90","","7677","3","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C58 H111 N19 O11 -","- C58 H111 N19 O11 -","- C232 H444 N76 O44 -","4","1","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0899","0.0827","","","0.2159","0.2237","","","","","","1.06","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029592","29.1632","0.0011","6.6782","0.0003","14.5294","0.0006","90","","98.666","0.001","90","","2797.4","0.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","0.71075","MoKα","","0.0388","0.036","","","0.095","0.0964","","","","","","1.052","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029605","9.981","0.013","8.448","0.01","15.97","0.02","90","","103.21","0.02","90","","1311","3","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Ishihara, Jun; Tsuru, Hiroaki; Hatakeyama, Susumi","Total synthesis of (-)-dihydrosporothriolide utilizing an indium-mediated reformatsky-claisen rearrangement.","The Journal of organic chemistry","2014","79","12","5908","5913","10.1021/jo5008948","","","0.71075","MoKα","","","0.0386","","","","0.083","","","","","","0.995","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029672","33.742","0.002","7.9547","0.0003","9.8768","0.0007","90","","97.566","0.002","90","","2627.9","0.3","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0572","0.0382","","","0.0789","0.0842","","","","","","0.937","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029684","20.83","0.008","5.635","0.002","12.122","0.007","90","","108.75","0.02","90","","1347.3","1.1","123.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miyahara, Yuji; Ito, Yoshio N.","AlCl3-Mediated Aldol Cyclocondensation of 1,6- and 1,7-Diones to Cyclopentene and Cyclohexene Derivatives.","The Journal of organic chemistry","2014","79","15","6801","6807","10.1021/jo5006137","","","0.7107","MoKα","","","0.0353","","","","0.115","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029787","29.889","0.003","5.2454","0.0005","31.439","0.003","90","","96.584","0.005","90","","4896.5","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C56 H48 N4 O12 -","- C56 H48 N4 O12 -","- C224 H192 N16 O48 -","4","1","","Castilla, Ana Maria; Morgan Conn, M.; Ballester, Pablo","Synthesis and binding studies of two new macrocyclic receptors for the stereoselective recognition of dipeptides.","Beilstein journal of organic chemistry","2010","6","","5","","10.3762/bjoc.6.5","","","0.71073","MoKα","","0.1867","0.0943","","","0.2314","0.2944","","","","","","1.038","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029851","15.457","0.003","9.311","0.002","15.892","0.003","90","","110.108","0.013","90","","2147.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","1.54176","CuKα","","0.0954","0.0756","","","0.1855","0.2075","","","","","","1.004","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029856","42.4851","0.0007","7.7388","0.0001","14.2913","0.0002","90","","103.844","0.002","90","","4562.25","0.12","290","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C208 H216 N24 O24 -","8","2","","Peng, Jixing; Gao, Huquan; Li, Jing; Ai, Jing; Geng, Meiyu; Zhang, Guojian; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Prenylated Indole Diketopiperazines from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2014","79","17","7895","7904","10.1021/jo5010179","","","1.54184","CuKα","","0.0399","0.0361","","","0.0918","0.0957","","","","","","1.025","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029932","23.4217","0.0018","7.2389","0.0004","8.3178","0.0006","90","","110.206","0.006","90","","1323.47","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Br2 N4 O2 -","- C26 H36 Br2 N4 O2 -","- C52 H72 Br4 N8 O4 -","2","0.5","","Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio","Chiral imidazolium receptors for citrate and malate: the importance of the preorganization.","The Journal of organic chemistry","2014","79","19","9141","9149","10.1021/jo5014977","","","0.71073","MoKα","","0.0406","0.0392","","","0.1053","0.1063","","","","","","1.063","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4030115","18.4924","0.0004","10.2023","0.0003","11.8598","0.0003","90","","100.565","0.002","90","","2199.6","0.1","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.029","0.0282","","0.0738","0.0732","0.0738","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030200","24.266","0.017","5.72","0.004","13.017","0.01","90","","120.428","0.01","90","","1558","2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.1849","0.0749","","","0.1801","0.2653","","","","","","1.007","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030291","16.8112","0.0002","4.9796","0.0001","23.1742","0.0003","90","","105.11","0.0015","90","","1872.91","0.05","150","","150","","","","","","","","Research School of Chemistry","3","C 1 2 1","C 2y","5","","","","- C19 H26 O8 -","- C19 H26 O8 -","- C76 H104 O32 -","4","1","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0321","0.0307","","0.0771","0.0759","0.0771","","","","","","1.002","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030297","28.65","0.011","4.9547","0.0018","22.409","0.008","90","","97.901","0.013","90","","3151","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C128 H152 Br8 O32 -","8","2","","Risi, Roberto M.; Maza, Andrew M.; Burke, Steven D.","Asymmetric Hydroformylation-Initiated Tandem Sequences for Syntheses of (+)-Patulolide C, (-)-Pyrenophorol, (+)-Decarestrictine L, and (+)-Prelog Djerassi Lactone.","The Journal of organic chemistry","2014","80","1","204","","10.1021/jo502301k","","x-ray","0.71073","MoKα","K-L~3~","0.0379","0.0305","","","0.0595","0.0616","","","","","","1.021","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030455","22.299","0.003","9.1978","0.0011","15.934","0.002","90","","131.994","0.004","90","","2428.9","0.6","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H23 Br2 N O5 -","- C25 H23 Br2 N O5 -","- C100 H92 Br8 N4 O20 -","4","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.058","0.0454","","","0.1207","0.1638","","","","","","1.167","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030464","20.259","0.003","5.923","0.001","17.597","0.003","90","","115.345","0.011","90","","1908.3","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 Cl3 N O3 S -","- C17 H22 Cl3 N O3 S -","- C68 H88 Cl12 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1104","0.0884","","","0.2071","0.2476","","","","","","1.158","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030608","16.763","0.003","11.142","0.002","15.694","0.003","90","","101.35","0.02","90","","2873.9","0.9","","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H31 Cl17 Mo4 O6 -","- C45 Cl17 Mo4 O6 -","- C90 Cl34 Mo8 O12 -","2","0.5","","Wei Qiu; Li Li; Juzheng Liu; Xiaofeng Zheng; Yuguo Fan; Chunting Sun; Qijun Huang; Jingweng Zhang","Synthesis and characterization of a dimolybdenum (V) complex","European Journal of Solid State and Inorganic Chemistry","1993","30","","1039","1048","","","x-ray","0.71069","MoKα","","","0.057","","","","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030799","27.793","0.002","9.7527","0.0004","27.915","0.002","90","","120.11","0.01","90","","6545.5","1","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H46 N6 O4 -","- C32 H46 N6 O4 -","- C256 H368 N48 O32 -","8","2","","Moussodia, Ralph-Olivier; Acherar, Samir; Romero, Eugénie; Didierjean, Claude; Jamart-Grégoire, Brigitte","Evidence of Nanotubular Self-Organization in Solution and Solid States of Heterochiral Cyclo 1:1 [α/α-N(α)-Bn-hydrazino]mers Series.","The Journal of organic chemistry","2015","80","6","3022","3029","10.1021/jo502684g","","x-ray","0.71073","MoKα","","0.1338","0.1132","","","0.2899","0.3126","","","","","","1.31","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030837","20.529","0.018","6.669","0.006","12.889","0.011","90","","95.761","0.013","90","","1756","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.1072","0.0407","","","0.0661","0.0744","","","","","","0.778","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4031008","23.139","0.005","7.1275","0.0015","23.454","0.005","90","","96.439","0.007","90","","3843.7","1.4","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H63 N O2 Si -","- C40 H63 N O2 Si -","- C160 H252 N4 O8 Si4 -","4","1","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.1594","0.0653","","","0.1086","0.137","","","","","","1.013","","","","has coordinates","140159","2020-10-21","18:00:00",""
"4031027","19.9653","0.0005","11.0573","0.0005","19.3517","0.0006","90","","111.054","0.003","90","","3986.9","0.3","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C176 H136 Br8 N16 O8 -","8","2","","You, Yong; Cui, Bao-Dong; Zhou, Ming-Qiang; Zuo, Jian; Zhao, Jian-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Friedel-Crafts Cascade Reaction of 3-Pyrrolyl-oxindoles and α,β-Unsaturated Aldehydes for the Construction of Chiral Spiro[5,6-dihydropyrido[1,2-a]pyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2015","80","11","5951","5957","10.1021/acs.joc.5b00597","","","1.54184","CuKα","","0.0378","0.035","","","0.0892","0.0921","","","","","","1.034","","","","has coordinates","154707","2020-10-21","18:00:00",""
"4031035","22.497","0.003","5.437","0.0007","16.731","0.003","90","","110.762","0.017","90","","1913.6","0.5","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Ruiz-Olalla, Andrea; Retamosa, María de Gracia; Cossío, Fernando P","Densely Substituted l-Proline Esters as Catalysts for Asymmetric Michael Additions of Ketones to Nitroalkenes.","The Journal of organic chemistry","2015","80","11","5588","5599","10.1021/acs.joc.5b00495","","x-ray","1.54184","CuKα","","0.0924","0.0658","","","0.1475","0.1674","","","","","","0.998","","","","has coordinates,has disorder","141372","2020-10-21","18:00:00",""
"4031159","15.584","0.002","12.3431","0.0019","13.574","0.002","90","","121.346","0.001","90","","2229.9","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound 5bh","","","- C23 H24 Br N2 O5.5 -","- C23 H24 Br N2 O5.5 -","- C92 H96 Br4 N8 O22 -","4","1","","Di Iorio, Nicola; Righi, Paolo; Ranieri, Silvia; Mazzanti, Andrea; Margutta, Riccardo G.; Bencivenni, Giorgio","Vinylogous Reactivity of Oxindoles Bearing Nonsymmetric 3-Alkylidene Groups.","The Journal of organic chemistry","2015","80","14","7158","7171","10.1021/acs.joc.5b01022","","","0.71073","MoKα","","0.0402","0.0356","","","0.0901","0.0929","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031626","13.33","","6.827","","4.68","","90","","97.63","","90","","422.127","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Ba (O2 C N H (N H2))2 (N2 H4)","","- C2 H10 Ba N6 O4 -","- C2 H10 Ba N6 O4 -","- C4 H20 Ba2 N12 O8 -","2","0.5","","Edwards, D. A.; Keily, J. F.; Thompsett, D.; Molloy, K. C.; Mahon, M. F.","New group 2 metal hydrazinecarboxylates: a novel coordination mode for hydrazinecarboxylate in a polymeric, ten-co-ordinate barium complex","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1993","1993","","3471","3474","","","","","","","","","","","","","","","","","","","","","","has coordinates","189193","2020-10-21","18:00:00",""
"4031753","26.012","0.001","7.214","0.001","20.211","0.001","90","","128.649","0.001","90","","2962","0.5","150","2","150","","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1-Acetyl-6-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C25.5 H41 N6 O4.5 S2 -","- C25.5 H41 N6 O4.5 S2 -","- C102 H164 N24 O18 S8 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0406","0.038","","","0.1022","0.1064","","","","","","1.07","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031757","30.1333","0.0007","7.7644","0.0002","12.9297","0.0003","90","","105.7","0.003","90","","2912.26","0.13","190","2","190","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H40 N O12.5 -","- C32 H40 N O12.5 -","- C128 H160 N4 O50 -","4","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","Viridicatumtoxins: Expanding on a Rare Tetracycline Antibiotic Scaffold.","The Journal of organic chemistry","2015","80","24","12501","12508","10.1021/acs.joc.5b02367","","x-ray","1.54184","CuKα","","0.0484","0.0466","","","0.1326","0.1348","","","","","","1.069","","","","has coordinates,has disorder","173588","2020-10-21","18:00:00",""
"4031867","26.355","0.005","5.4089","0.0003","14.346","0.003","90","","136.39","0.04","90","","1410.6","1.1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C56 H68 N12 O8 -","2","0.5","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0343","0.0338","","","0.0904","0.0917","","","","","","1.057","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031972","21.203","0.004","5.8478","0.0009","20.613","0.004","90","","118.361","0.012","90","","2249.1","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Cl N2 O4 -","- C24 H25 Cl N2 O4 -","- C96 H100 Cl4 N8 O16 -","4","1","","Liu, Hua-Chao; Tao, Hai-Yan; Cong, Hengjiang; Wang, Chun-Jiang","Silver(I)-Catalyzed Atroposelective Desymmetrization of N-Arylmaleimide via 1,3-Dipolar Cycloaddition of Azomethine Ylides: Access to Octahydropyrrolo[3,4-c]pyrrole Derivatives.","The Journal of organic chemistry","2016","81","9","3752","3760","10.1021/acs.joc.6b00396","","","1.54178","CuKα","","0.0652","0.0593","","","0.1559","0.1624","","","","","","1.074","","","","has coordinates","183592","2020-10-21","18:00:00",""
"4031997","33.3","0.1","5.412","0.005","15","0.03","90","","91.1","0.5","90","","2703","10","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar","Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.","The Journal of organic chemistry","2016","81","10","4179","4189","10.1021/acs.joc.6b00514","","","0.71073","MoKα","","0.0927","0.0526","","","0.1307","0.1441","","","","","","1.013","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4032051","28.515","0.018","7.53","0.005","15.194","0.01","90","","115.987","0.01","90","","2933","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H25 Br O3 -","- C33 H25 Br O3 -","- C132 H100 Br4 O12 -","4","1","","Wang, Gang; Wang, Zhan-Yong; Niu, Shuang-Shuo; Rao, Yin; Cheng, Ying","The Reaction of 2-Aroylvinylcinnamaldehydes with Aromatic Aldehydes by Dual Catalysis with a Chiral N-Heterocyclic Carbene and a Lewis Acid: Enantioselective Construction of Tetrahydroindeno[1,2-c]furan-1-ones.","The Journal of organic chemistry","2016","","","","","10.1021/acs.joc.6b01362","","","0.71073","MoKα","","0.0949","0.0672","","","0.1786","0.1922","","","","","","1.059","","","","has coordinates","186097","2020-10-21","18:00:00",""
"4032099","25.807","0.003","16.852","0.003","13.031","0.0014","90","","112.568","0.003","90","","5233.2","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C55.5 H81 N2 O8.5 -","- C55.5 H81 N2 O8.5 -","- C222 H324 N8 O34 -","4","1","","Shi, Yong; Jiang, Xiao-Ling; Tian, Wei-Sheng","Synthesis of 12,12'-azo-13,13'-diepi-Ritterazine N.","The Journal of organic chemistry","2017","82","1","269","275","10.1021/acs.joc.6b02391","","","0.71073","MoKα","","0.0817","0.0666","","","0.1738","0.1878","","","","","","1.015","","","","has coordinates","193530","2020-10-21","18:00:00",""
"4032221","16.8154","0.0008","4.5652","0.0002","15.701","0.0008","90","","120.592","0.0019","90","","1037.53","0.09","200","","200","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0339","0.0306","","0.0734","0.0708","0.0734","","","","","","0.9928","","","","has coordinates","193223","2020-10-21","18:00:00",""
"4032222","17.5832","0.0015","4.7115","0.0001","13.4131","0.0008","90","","111.36","0.012","90","","1034.86","0.14","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0222","0.0217","","0.0594","0.0587","0.0594","","","","","","1.0009","","","","has coordinates","193224","2020-10-21","18:00:00",""
"4032438","23.3708","0.0009","14.0581","0.0006","16.9479","0.0007","90","","93.186","0.002","90","","5559.6","0.4","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H37.66 N9 O4.66 -","- C24 H35 N9 O4.6645 -","- C192 H280 N72 O37.316 -","8","2","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0569","0.0397","","","0.0896","0.0986","","","","","","1.052","","","","has coordinates,has disorder","196143","2020-10-21","18:00:00",""
"4032658","18.9377","0.0005","6.2442","0.0001","14.6275","0.0005","90","","105.95","0.003","90","","1663.12","0.08","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C15 H26 O3 Si -","- C15 H26 O3 Si -","- C60 H104 O12 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0344","0.0319","","0.0802","0.0787","0.0802","","","","","","0.9905","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032694","25.2712","0.001","5.6984","0.0002","18.5928","0.0007","90","","129.237","0.0018","90","","2073.8","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C80 H96 N8 O40 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Ai, Yanran; Lee, Jihoon; Kishi, Yoshito","Stereocontrolled Synthesis of Left Halves of Halichondrins.","The Journal of organic chemistry","2017","82","17","8808","8830","10.1021/acs.joc.7b01284","","","1.54178","CuKα","","0.0308","0.0293","","","0.0759","0.0773","","","","","","1.046","","","","has coordinates","200277","2020-10-21","18:00:00",""
"4032868","21.23","0.03","4.782","0.007","16.45","0.03","90","","96.883","0.019","90","","1658","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Yang, Xing; Pang, Shuai; Cheng, Feng; Zhang, Yue; Lin, Ya-Wei; Yuan, Quan; Zhang, Fang-Lin; Huang, Yi-Yong","Enantioselective Synthesis of 1,3-Disubstituted 1,3-Dihydroisobenzofurans via a Cascade Allylboration/Oxo-Michael Reaction of o-Formyl Chalcones Catalyzed by a Chiral Phosphoric Acid.","The Journal of organic chemistry","2017","82","19","10388","10397","10.1021/acs.joc.7b01856","","","0.71073","MoKα","","0.175","0.0628","","","0.1323","0.1821","","","","","","0.952","","","","has coordinates","202694","2020-10-21","18:00:00",""
"4033072","27.4647","0.0017","9.7877","0.0006","17.8406","0.0011","90","","98.419","0.003","90","","4744.2","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H35 O5.5 -","- C25 H35 O5.5 -","- C200 H280 O44 -","8","2","","Jiménez, Fermín; Fernández, Antonio; Boulifa, Ettahir; Mansour, Ahmed Ibn; Alvarez-Manzaneda, Ramón; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Diastereoselective Intramolecular Heck Reaction Assisted by an Acetate Group: Synthesis of the Decahydrobenzofluorene Derivative Dasyscyphin E.","The Journal of organic chemistry","2017","82","18","9550","9559","10.1021/acs.joc.7b01551","","","0.71069","MoKα","","0.0373","0.0322","","","0.0721","0.0751","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033096","18.2219","0.0007","8.5559","0.0003","21.5811","0.0008","90","","90.875","0.002","90","","3364.2","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H33 Br N2 O8 S -","- C32 H33 Br N2 O8 S -","- C128 H132 Br4 N8 O32 S4 -","4","1","","Zheng, Yu; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Xiao, Jun-An; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Organocatalytic Asymmetric Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Diethyl 2-Aminomalonate Assisted by In Situ Protection.","The Journal of organic chemistry","2017","82","23","12202","12208","10.1021/acs.joc.7b02064","","","0.71073","MoKα","","0.0623","0.0499","","","0.1305","0.1355","","","","","","1.124","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033099","28.295","0.004","4.8587","0.0006","13.2","0.0017","90","","97.994","0.002","90","","1797.1","0.4","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C72 H104 O28 -","4","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.1156","0.0716","","","0.1599","0.1924","","","","","","1.019","","","","has coordinates,has disorder","204840","2020-10-21","18:00:00",""
"4033184","12.0569","0.0008","4.7415","0.0003","13.0804","0.0009","90","","111.418","0.005","90","","696.14","0.08","130","2","130","2","","","","","","","","2","C 1 2 1","C 2y","5","","'Compound 2a'","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0298","0.0279","","","0.0721","0.0732","","","","","","1.024","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033290","36.124","0.012","9.409","0.003","14.68","0.004","90","","93.39","0.008","90","","4981","3","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C88 H134 N12 O25 -","- C88 H134 N12 O25 -","- C176 H268 N24 O50 -","2","0.5","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","x-ray","0.71073","MoKα","","0.2605","0.0727","","","0.118","0.164","","","","","","0.929","","","","has coordinates","204424","2020-10-21","18:00:00",""
"4033330","31.5874","0.0009","5.4964","0.0001","14.967","0.0004","90","","90.211","0.002","90","","2598.51","0.11","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O3 -","- C15 H17.5 O3 -","- C120 H140 O24 -","8","2","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0841","0.0834","","","0.1952","0.1966","","","","","","1.122","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4034044","30.492","0.003","6.8073","0.0008","12.6172","0.0014","90","","90.618","0.002","90","","2618.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C36 H36 -","- C36 H36 -","- C144 H144 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0422","0.0377","","","0.0933","0.0968","","","","","","1.035","","","","has coordinates","222604","2020-10-21","18:00:00",""
"4034049","20.807","0.005","10.896","0.003","10.885","0.003","90","","100.437","0.005","90","","2426.9","1.1","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 Fe N4 O3 -","- C23 H19 F3 Fe N4 O3 -","- C92 H76 F12 Fe4 N16 O12 -","4","1","","Han, Liuqing; Li, Ke; Xu, Haitong; Mei, Tao; Sun, Yali; Qu, Jingping; Song, Yuming","<i>N</i>-TFA-Gly-Bt-Based Stereoselective Synthesis of Substituted 3-Amino Tetrahydro-2<i>H</i>-pyran-2-ones via an Organocatalyzed Cascade Process.","The Journal of organic chemistry","2019","84","16","10526","10534","10.1021/acs.joc.9b01488","","","0.71073","MoKα","","0.062","0.055","","","0.1383","0.1424","","","","","","1.001","","","","has coordinates","222609","2020-10-21","18:00:00",""
"4034362","45.8821","0.0012","12.5134","0.0004","9.1092","0.0002","90","","95.645","0.002","90","","5204.6","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C192 H256 F64 O96 -","32","8","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0483","0.0341","","","0.1012","0.1164","","","","","","1.053","","","","has coordinates","222900","2020-10-21","18:00:00",""
"4034612","21.5846","0.00002","5.0243","0.00001","19.5658","0.00002","90","","98.775","0.003","90","","2097.03","0.018","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H33 O7.5 S -","- C19 H33 O7.5 S -","- C76 H132 O30 S4 -","4","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0343","0.0303","","0.0786","0.0765","0.0786","","","","","","1.0202","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4034710","24.706","0.01","8.715","0.002","4.1298","0.001","90","","93.86","0.03","90","","887.2","0.5","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H19 N O -","- C25 H19 N O -","- C50 H38 N2 O2 -","2","0.5","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","0.71073","MoKα","","0.1008","0.0928","","","0.2498","0.2722","","","","","","1.09","","","","has coordinates","225401","2020-10-21","18:00:00",""
"4034876","18.622","0.003","14.558","0.002","13.376","0.002","90","","124.061","0.002","90","","3004.1","0.8","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H39 Br Cl2 O7 -","- C31 H39 Br Cl2 O7 -","- C124 H156 Br4 Cl8 O28 -","4","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0865","0.0613","","","0.1364","0.1495","","","","","","1.041","","","","has coordinates,has disorder","226396","2020-10-21","18:00:00",""
"4035102","30.0065","0.0015","6.5012","0.0003","13.4207","0.0007","90","","108.954","0.001","90","","2476.1","0.2","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H15 F N2 O7 -","- C10 H15 F N2 O7 -","- C80 H120 F8 N16 O56 -","8","2","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0451","0.0449","","","0.1283","0.1285","","","","","","1.159","","","","has coordinates","226590","2020-10-21","18:00:00",""
"4035134","19.982","0.001","7.7011","0.0004","13.3717","0.0006","90","","99.959","0.004","90","","2026.68","0.17","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H25 N O3 S2 -","- C20 H25 N O3 S2 -","- C80 H100 N4 O12 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.027","0.026","","","0.062","0.0625","","","","","","1.05","","","","has coordinates","226619","2020-10-21","18:00:00",""
"4035172","22.4524","0.0008","6.2502","0.0002","10.4159","0.0004","90","","102.201","0.0013","90","","1428.67","0.09","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","785","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0329","0.0307","","","0.0703","0.0714","","","","","","1.082","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035203","24.087","0.004","8.8775","0.0015","11.5808","0.0019","90","","107.337","0.004","90","","2363.8","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","2014/7","","- C23 H25 Cl N5 O4 -","- C24 H25 Cl N4 O4 -","- C96 H100 Cl4 N16 O16 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0564","0.0396","","","0.0806","0.0859","","","","","","0.965","","","","has coordinates","226681","2020-10-21","18:00:00",""
"4035228","22.3394","0.0005","8.2464","0.0002","13.8104","0.0003","90","","98.821","0.002","90","","2514.06","0.1","153","2","153","3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0336","0.0331","","","0.0925","0.0933","","","","","","1.0499","","","","has coordinates","226703","2020-10-21","18:00:00",""
"4035251","17.6648","0.0006","5.6836","0.0002","18.7544","0.0009","90","","115.841","0.002","90","","1694.66","0.12","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.046","0.0341","","","0.0709","0.0761","","","","","","1.042","","","","has coordinates","226717","2020-10-21","18:00:00",""
"4035280","28.603","0.007","8.1356","0.0019","10.639","0.002","90","","107.989","0.003","90","","2354.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H22 Br F3 N2 O5 -","- C22 H22 Br F3 N2 O5 -","- C88 H88 Br4 F12 N8 O20 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0634","0.0394","","","0.0937","0.1058","","","","","","1.008","","","","has coordinates","226746","2020-10-21","18:00:00",""
"4035425","30.7793","0.0011","25.5618","0.0006","18.8361","0.0007","90","","107.606","0.004","90","","14125.6","0.9","141","0.1","141","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C95 H132 N11 O9 Zn2 -","- C95 H132 N11 O9 Zn2 -","- C380 H528 N44 O36 Zn8 -","4","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","","1.54184","CuKα","","0.1395","0.1193","","","0.3236","0.3693","","","","","","1.089","","","","has coordinates","226883","2020-10-21","18:00:00",""
"4035468","52.9571","0.0012","8.5386","0.0002","11.2085","0.0003","90","","90.471","0.001","90","","5068.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0304","0.03","","","0.0789","0.0793","","","","","","1.045","","","","has coordinates","226923","2020-10-21","18:00:00",""
"4035469","52.9807","0.0017","8.7257","0.0003","11.2549","0.0004","90","","91.479","0.002","90","","5201.3","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0366","0.0358","","","0.1013","0.1028","","","","","","1.035","","","","has coordinates","226924","2020-10-21","18:00:00",""
"4035485","16.589","0.001","9.0335","0.0004","20.6981","0.001","90","","94.977","0.007","90","","3090.1","0.3","200","","200","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C82 H76 O3 -","- C82 H76 O3 -","- C164 H152 O6 -","2","0.5","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71075","MoKα","","0.0882","0.053","","","0.1323","0.1491","","","","","","1.024","","","","has coordinates,has disorder","226937","2020-10-21","18:00:00",""
"4035486","22.5468","0.0019","10.4722","0.0009","7.3277","0.0005","90","","107.751","0.005","90","","1647.8","0.2","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0277","0.0274","","","0.0697","0.0699","","","","","","1.048","","","","has coordinates,has disorder","226938","2020-10-21","18:00:00",""
"4035554","22.07","0.005","6.411","0.003","11.639","0.003","90","","113.74","0.02","90","","1507.5","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Pinto, Alexandre; Piccichè, Miriam; Griera, Rosa; Molins, Elies; Bosch, Joan; Amat, Mercedes","Studies on the Synthesis of Phlegmarine-Type Lycopodium Alkaloids: Enantioselective Synthesis of (-)-Cermizine B, (+)-Serratezomine E, and (+)-Luciduline.","The Journal of organic chemistry","2018","83","15","8364","8375","10.1021/acs.joc.8b00983","","x-ray","0.71073","MoKα","","0.0751","0.0445","","","0.1056","0.1175","","","","","","1.065","","","","has coordinates","227002","2020-10-21","18:00:00",""
"4035685","32.4209","0.0009","8.0512","0.0003","16.2619","0.0005","90","","90.2238","0.0019","90","","4244.8","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C144 H272 O40 Si8 -","8","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1223","0.0646","","","0.172","0.2191","","","","","","1.01","","","","has coordinates","227133","2020-10-21","18:00:00",""
"4035851","16.313","0.0007","11.6843","0.0005","9.3275","0.0004","90","","122.965","0.003","90","","1491.64","0.12","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H13 Br N2 O3 -","- C16 H13 Br N2 O3 -","- C64 H52 Br4 N8 O12 -","4","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0708","0.0464","","","0.104","0.1246","","","","","","0.893","","","","has coordinates","227263","2020-10-21","18:00:00",""
"4035882","13.2915","0.0003","7.2927","0.0002","17.9828","0.0005","90","","106.01","0.001","90","","1675.48","0.08","170","2","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.0334","0.0315","","","0.0778","0.0794","","","","","","1.051","","","","has coordinates","227290","2020-10-21","18:00:00",""
"4035931","33.1345","0.0005","5.7877","0.0001","10.7579","0.0002","90","","92.181","0.001","90","","2061.58","0.06","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0416","0.0367","","","0.0909","0.0945","","","","","","1.029","","","","has coordinates","227324","2020-10-21","18:00:00",""
"4035939","42.959","0.006","12.0548","0.0017","8.2298","0.0016","90","","90.61","0.006","90","","4261.7","1.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20.5 H18 F4 N5 O2 S -","- C20.5 H18 F4 N5 O2 S -","- C164 H144 F32 N40 O16 S8 -","8","2","","Oguma, Takuya; Anan, Kosuke; Suzuki, Shinji; Hisakawa, Shinya; Takada, Akihiro; Ogawa, Masayoshi; Kusakabe, Ken-Ichi","Synthesis of a 6-CF<sub>3</sub>-Substituted 2-Amino-dihydro-1,3-thiazine β-Secretase Inhibitor by N, N-Diethylaminosulfur Trifluoride-Mediated Chemoselective Cyclization.","The Journal of organic chemistry","2019","84","8","4893","4897","10.1021/acs.joc.8b02179","","","1.54187","CuKα","","0.064","0.0627","","","0.1703","0.1709","","","","","","1.079","","","","has coordinates","227332","2020-10-21","18:00:00",""
"4036043","14.9637","0.0005","11.3042","0.0004","21.2771","0.0009","90","","110.436","0.001","90","","3372.6","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C136 H192 N16 O24 -","8","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","1.54178","CuKα","","0.0551","0.055","","","0.2125","0.2128","","","","","","2.07","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036070","20.3654","0.0007","10.686","0.0004","18.0155","0.0007","90","","91.228","0.002","90","","3919.7","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H19 I N3 O7.5 S -","- C16 H19 I N3 O7.5 S -","- C128 H152 I8 N24 O60 S8 -","8","2","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.046","0.039","","","0.0818","0.0861","","","","","","1.056","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036176","20.1712","0.0006","5.5819","0.0001","28.3409","0.0009","90","","107.75","0.004","90","","3039.1","0.16","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H48 N2 O3 S -","- C31 H48 N2 O3 S -","- C124 H192 N8 O12 S4 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Shah, Rushabh S.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of nakinadine D, nakinadine E, and nakinadine F: confirmation of their relative (RS,SR)-configurations and proposal of their absolute (2S,3R)-configurations.","The Journal of organic chemistry","2015","80","8","4017","4029","10.1021/acs.joc.5b00376","","","1.5418","CuKα","","0.041","0.0359","","0.0948","0.0891","0.0947","","","","","","1","","","","has coordinates","234352","2020-10-21","18:00:00",""
"4036370","16.7993","0.0002","9.8937","0.0001","22.8314","0.0003","90","","100.574","0.0011","90","","3730.3","0.08","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C142 H126 Cl26 N4 O4 P4 Pd4 S4 -","2","0.5","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","mokα","","0.0176","0.0168","","","0.0396","0.04","","","","","","1.042","","","","has coordinates,has disorder","234618","2020-10-21","18:00:00",""
"4036376","22.5647","0.0003","9.7136","0.0002","15.1484","0.0002","90","","104.989","0.002","90","","3207.32","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 Fe3 N O2 -","- C39 H41 Fe3 N O2 -","- C156 H164 Fe12 N4 O8 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0402","0.0361","","","0.0821","0.0852","","","","","","1.037","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036406","22.1075","0.001","7.7997","0.0003","22.3762","0.001","90","","92.119","0.002","90","","3855.7","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H15 Br F3 N O3 -","- C20 H15 Br F3 N O3 -","- C160 H120 Br8 F24 N8 O24 -","8","2","","Zhao, Mei-Xin; Zhu, Hui-Kai; Dai, Tong-Lei; Shi, Min","Cinchona Alkaloid Squaramide-Catalyzed Asymmetric Michael Addition of α-Aryl Isocyanoacetates to β-Trifluoromethylated Enones and Its Applications in the Synthesis of Chiral β-Trifluoromethylated Pyrrolines.","The Journal of organic chemistry","2015","80","22","11330","11338","10.1021/acs.joc.5b01829","","","0.71073","MoKα","","0.0457","0.0359","","","0.0746","0.0788","","","","","","0.996","","","","has coordinates","234642","2020-10-21","18:00:00",""
"4036425","16.2307","0.0004","8.9399","0.0002","10.0149","0.0003","90","","92.635","0.002","90","","1451.63","0.07","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0293","0.0276","","","0.0684","0.0695","","","","","","1.054","","","","has coordinates","234672","2020-10-21","18:00:00",""
"4036615","33.1997","0.0004","9.6115","0.0001","13.8952","0.0002","90","","99.7857","0.0012","90","","4369.43","0.1","150","","150","","","","","","","","local","3","C 1 2 1","C 2y","5","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C180 H312 O24 -","12","3","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0376","0.035","","0.0873","0.0853","0.0873","","","","","","0.9972","","","","has coordinates","234965","2020-10-21","18:00:00",""
"4036695","18.199","0.005","7.93","0.002","13.983","0.004","90","","102.149","0.003","90","","1972.8","0.9","173.15","","173.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0293","0.0284","","","0.0686","0.0692","","","","","","1.072","","","","has coordinates","235084","2020-10-21","18:00:00",""
"4036722","37.839","0.004","25.19","0.002","13.63","0.0014","90","","101.307","0.002","90","","12739","2","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H36 Cl2 N4 O4 -","- C36 H36 Cl2 N4 O4 -","- C432 H432 Cl24 N48 O48 -","12","3","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0858","0.0668","","","0.1739","0.1865","","","","","","1.011","","","","has coordinates,has disorder","235132","2020-10-21","18:00:00",""
"4036912","38.764","0.004","6.8408","0.0007","8.3667","0.0008","90","","91.32","0.002","90","","2218.1","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.038","0.0365","","","0.1012","0.1064","","","","","","1.08","","","","has coordinates,has disorder","235404","2020-10-21","18:00:00",""
"4037017","30.463","0.006","6.3598","0.0012","26.835","0.006","90","","112.063","0.009","90","","4818.3","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H63 Br O7 -","- C46 H63 Br O7 -","- C184 H252 Br4 O28 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.1023","0.0614","","","0.1532","0.1702","","","","","","0.928","","","","has coordinates","235566","2020-10-21","18:00:00",""
"4037055","15.6549","0.0014","18.478","0.0018","21.6785","0.0019","90","","96.588","0.001","90","","6229.6","1","298","2","298","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C242 H228 Br4 Cl28 N24 Ni4 O16 P4 -","4","1","","Zhang, Haowei; Yang, Bing; Yang, Zhen; Lu, Hongjian; Li, Guigen","Asymmetric Synthesis of Chiral α-Methyl-α,β-diamino Acid Derivatives via Group-Assisted Purification Chemistry Using N-Phosphonyl Imines and a Ni(II)-Complexed Alanine Schiff Base.","The Journal of organic chemistry","2016","81","17","7654","7661","10.1021/acs.joc.6b01385","","","0.71073","MoKα","","0.1712","0.0807","","","0.1826","0.2071","","","","","","1.073","","","","has coordinates,has disorder","235608","2020-10-21","18:00:00",""
"4037104","22.508","0.003","15.8459","0.0017","26.254","0.004","90","","93.149","0.004","90","","9350","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H42 N2 O4.67 S -","- C31 H42 N2 O4.66667 S -","- C372 H504 N24 O56 S12 -","12","3","","Hato, Yoshio; Oonishi, Yoshihiro; Yamamoto, Yasunori; Nakajima, Kiyohiko; Sato, Yoshihiro","Stereoselective Construction of Spiro-Fused Tricyclic Frameworks by Sequential Reaction of Enynes, Imines, and Diazoalkenes with Rh(I) and Rh(II) Catalysts.","The Journal of organic chemistry","2016","81","17","7847","7854","10.1021/acs.joc.6b01502","","","1.54187","CuKα","","0.0771","0.0621","","","","0.1598","","","","","","0.713","","","","has coordinates","235671","2020-10-21","18:00:00",""
"4037146","32.0719","0.0007","9.2396","0.0002","20.2331","0.0004","90","","109.779","0.001","90","","5642","0.2","296","","296","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C264 H240 N32 O24 -","8","2","","Zhu, Qiu-Ning; Zhang, Yu-Chen; Xu, Meng-Meng; Sun, Xiao-Xue; Yang, Xue; Shi, Feng","Enantioselective Construction of Tetrahydroquinolin-5-one-Based Spirooxindole Scaffold via an Organocatalytic Asymmetric Multicomponent [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","17","7898","7907","10.1021/acs.joc.6b01598","","","1.54178","CuKα","","0.0707","0.054","","","0.1393","0.1557","","","","","","1.005","","","","has coordinates","235715","2020-10-21","18:00:00",""
"4037482","54.96","0.02","9.068","0.003","12.209","0.004","90","","101.194","0.009","90","","5969","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H52 Cl2 N2 O3 -","- C62 H46 Cl2 N2 O3 -","- C248 H184 Cl8 N8 O12 -","4","1","","Yu, Yang; Li, Yawen; Wang, Xiaoqing; Nian, Hao; Wang, Le; Li, Jie; Zhao, Yanxia; Yang, Xiran; Liu, Simin; Cao, Liping","Cucurbit[10]uril-Based [2]Rotaxane: Preparation and Supramolecular Assembly-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2017","82","11","5590","5596","10.1021/acs.joc.7b00400","","","0.71073","MoKα","","0.1345","0.1022","","","0.2185","0.2298","","","","","","1.117","","","","has coordinates","236226","2020-10-21","18:00:00",""
"4037537","29.435","0.002","18.8296","0.0012","20.487","0.003","90","","132.126","0.001","90","","8421.6","1.5","100","","100","","","","","","","","see text","4","C 1 2 1","C 2y","5","","","","- C22 H29 O P -","- C22 H29 O P -","- C352 H464 O16 P16 -","16","4","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0412","0.036","","","0.08","0.0821","","","","","","1.066","","","","has coordinates","236297","2020-10-21","18:00:00",""
"4037541","26.18193","0.00018","9.22358","0.00007","16.79917","0.00011","90","","107.151","0.0007","90","","3876.44","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N5 O7 -","- C36 H57 N5 O7 -","- C144 H228 N20 O28 -","4","1","","Hou, Xue-Mei; Li, Yue-Ying; Shi, Yun-Wei; Fang, Yao-Wei; Chao, Rong; Gu, Yu-Cheng; Wang, Chang-Yun; Shao, Chang-Lun","Integrating Molecular Networking and <sup>1</sup>H NMR To Target the Isolation of Chrysogeamides from a Library of Marine-Derived Penicillium Fungi.","The Journal of organic chemistry","2019","84","3","1228","1237","10.1021/acs.joc.8b02614","","","1.54184","CuKα","","0.0432","0.0425","","","0.1483","0.1518","","","","","","0.748","","","","has coordinates","236304","2020-10-21","18:00:00",""
"4037553","19.56339","0.00013","7.68013","0.00007","16.52524","0.00011","90","","93.4366","0.0006","90","","2478.44","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0393","0.0379","","","0.1036","0.1042","","","","","","1.066","","","","has coordinates","236327","2020-10-21","18:00:00",""
"4037608","24.4859","0.0005","11.3635","0.0003","14.26","0.001","90","","125.123","0.009","90","","3245.3","0.4","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H76 N16 O12 -","- C60 H76 N16 O12 -","- C120 H152 N32 O24 -","2","0.5","","Katayama, Katsushi; Okamura, Takuya; Sunadome, Takuya; Nakagawa, Koji; Takeda, Hiroshi; Shiro, Motoo; Matsuda, Akira; Ichikawa, Satoshi","Synthesis and biological evaluation of quinaldopeptin.","The Journal of organic chemistry","2014","79","6","2580","2590","10.1021/jo500039d","","","1.54187","CuKα","","","0.0628","","","","0.1826","","","","","","1.003","","","","has coordinates","243447","2020-10-21","18:00:00",""
"4037617","23.336","0.008","7.0039","0.0017","17.87","0.006","90","","130.76","","90","","2212.3","1.2","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H46.52 Cl5 F12 K N4 O21.27 -","- C24 H46.524 Cl5 F12 K N4 O21.262 -","- C48 H93.048 Cl10 F24 K2 N8 O42.524 -","2","0.5","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.0948","0.0755","","","0.1904","0.2064","","","","","","1.072","","","","has coordinates,has disorder","243746","2020-10-21","18:00:00",""
"4037619","9.4","0.004","6.986","0.004","10.481","0.006","90","","113.12","0.02","90","","633","0.6","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 F3 N O -","- C5 H6 F3 N O -","- C20 H24 F12 N4 O4 -","4","1","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.051","0.0372","","","0.0856","0.0947","","","","","","1.059","","","","has coordinates","243748","2020-10-21","18:00:00",""
"4037721","49.8772","0.0019","13.6789","0.0005","26.949","0.0009","90","","105.632","0.002","90","","17706.3","1.1","100","","100.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H46 N4 O10 -","- C40 H46 N4 O10 -","- C640 H736 N64 O160 -","16","4","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.1728","0.1294","","","0.36","0.4066","","","","","","1.407","","","","has coordinates,has disorder","245540","2020-10-21","18:00:00",""
"4037810","32.77","0.004","9.7269","0.0013","23.215","0.003","90","","134.483","0.003","90","","5279.4","1.2","200","2","200","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H22 Cl I2 N3 -","- C20 H22 Cl I2 N3 -","- C160 H176 Cl8 I16 N24 -","8","2","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0893","0.0591","","","0.1166","0.1272","","","","","","1.054","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037874","27.769","0.002","5.4256","0.0004","11.013","0.0008","90","","109.947","0.003","90","","1559.7","0.2","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H15 F O -","- C21 H15 F O -","- C84 H60 F4 O4 -","4","1","","Gu, Chang-Xue; Chen, Wen-Wen; Xu, Ming-Hua","Pd(II)-Catalyzed Asymmetric Annulation towards the Synthesis of 2,3-Disubstituted Chiral Indenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02958","","","1.54178","CuKα","","0.0336","0.0326","","","0.0883","0.0896","","","","","","1.028","","","","has coordinates","247389","2020-10-21","18:00:00",""
"4038167","33.9498","0.0008","21.4322","0.0005","12.1761","0.0003","90","","100.114","0.002","90","","8721.9","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H65 B F2 N2 Si2 -","- C44 H65 B F2 N2 Si2 -","- C352 H520 B8 F16 N16 Si16 -","8","2","","Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki","Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties.","Beilstein journal of organic chemistry","2020","16","","587","595","10.3762/bjoc.16.53","","","0.71073","MoKα","","0.0966","0.064","","","0.1419","0.1603","","","","","","1.002","","","","has coordinates","251799","2020-10-21","18:00:00",""
"4038295","13.2186","0.0002","13.2909","0.0002","14.0998","0.0003","90","","96.7465","0.0015","90","","2460","0.07","120","1","120","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cl2 Fe N2 O3 -","- C24 H30 Cl2 Fe N2 O3 -","- C96 H120 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0442","0.0348","","","0.0629","0.0664","","","","","","1.036","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038309","24.2918","0.0006","8.047","0.0002","17.8937","0.0005","90","","91.261","0.001","90","","3496.94","0.16","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C136 H224 N16 O24 -","8","2","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic <i>Lycopodium</i> Alkaloids with an Unusual Skeleton from <i>Huperzia serrata</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0374","0.0366","","","0.0966","0.0976","","","","","","1.071","","","","has coordinates","251290","2020-10-21","18:00:00",""
"4038399","20.6268","0.0012","8.2898","0.0009","11.4377","0.0006","90","","101.734","0.005","90","","1914.9","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H40 O5 P2 -","- C44 H40 O5 P2 -","- C88 H80 O10 P4 -","2","0.5","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.05","0.0452","","","0.1218","0.1291","","","","","","1.074","","","","has coordinates","252219","2020-10-21","18:00:00",""
"4038404","33.185","0.005","5.9809","0.0009","16.116","0.003","90","","109.647","0.003","90","","3012.4","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H32 O9 S2 -","- C33 H32 O9 S2 -","- C132 H128 O36 S8 -","4","1","","Maikhuri, Vipin Kumar; Khatri, Vinod; Kumar, Amit; Singh, Balram; Prasad, Ashok K.","Synthesis of Sugar Diene and its Pd-catalyzed Transformation into Chromanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00432","","","0.71073","MoKα","","0.0369","0.0317","","","0.0689","0.0709","","","","","","0.991","","","","has coordinates","252286","2020-10-21","18:00:00",""
"4038594","20.2904","0.001","6.2175","0.0003","11.6198","0.0005","90","","101.089","0.004","90","","1438.53","0.12","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C56 H72 N8 O12 S4 -","4","1","","Fujiu, Motohiro; Yokoo, Katsuki; Aoki, Toshiaki; Shibuya, Satoru; Sato, Jun; Komano, Kazuo; Kusano, Hiroki; Sato, Soichiro; Ogawa, Masayoshi; Yamawaki, Kenji","Synthesis of 2-Thio-Substituted 1,6-Diazabicyclo[3.2.1]octane Derivatives, Potent β-Lactamase Inhibitors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00980","","x-ray","1.54184","CuKα","","0.0443","0.0441","","","0.107","0.1071","","","","","","1.048","","","","has coordinates","254443","2020-10-21","18:00:00",""
"4038645","28.9222","0.001","7.8099","0.0003","31.9633","0.001","90","","113.747","0.002","90","","6608.6","0.4","110","2","110.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H54 O5 Si3 -","- C26 H54 O5 Si3 -","- C208 H432 O40 Si24 -","8","2","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","1.54178","CuKα","","0.0491","0.0436","","","0.1034","0.1076","","","","","","1.073","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038685","25.6686","0.0015","6.3122","0.0004","11.3113","0.0006","90","","115.585","0.004","90","","1653.01","0.18","122","2","122","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0468","0.0383","","","0.0871","0.091","","","","","","1.061","","","","has coordinates","255269","2020-10-21","18:00:00",""
"4038724","15.424","0.0005","9.5366","0.00019","17.1423","0.0005","90","","115.321","0.004","90","","2279.25","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 F O7 -","- C23 H29 F O7 -","- C92 H116 F4 O28 -","4","1","","Ding, Ya-Nan; Shi, Wei-Yu; Liu, Ce; Zheng, Nian; Li, Ming; An, Yang; Zhang, Zhe; Wang, Cui-Tian; Zhang, Bo-Sheng; Liang, Yong-Min","Palladium-Catalyzed ortho-C-H Glycosylation/ipso-Alkenylation of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01392","","x-ray","1.54184","CuKα","","0.0468","0.0439","","","0.1215","0.1261","","","","","","1.082","","","","has coordinates,has disorder","255674","2020-10-21","18:00:00",""
"4038902","20.1817","0.0004","5.8935","0.0001","21.8822","0.0005","90","","108.294","0.001","90","","2471.14","0.09","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C96 H140 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0634","0.0515","","","0.1373","0.1538","","","","","","1.059","","","","has coordinates","258532","2020-10-21","23:21:46",""
"4060358","48.05","0.01","6.381","0.001","14.63","0.003","90","","92.22","0.01","90","","4482.3","1.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Canada-12","","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C200 H264 N8 O24 -","8","2","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","219238","2020-10-21","18:00:00",""
"4060433","23.2361","0.0002","14.6588","0.0001","14.6304","0.0001","90","","105.793","0.0003","90","","4795.2","0.06","173","1","173","1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H54 Cl8 Fe N2 P2 Ru -","- C44 H54 Cl8 Fe N2 P2 Ru -","- C176 H216 Cl32 Fe4 N8 P8 Ru4 -","4","1","","Baratta, Walter; Herdtweck, Eberhardt; Siega, Katia; Toniutti, Micaela; Rigo, Pierluigi","2-(Aminomethyl)pyridine‒Phosphine Ruthenium(II) Complexes: Novel Highly Active Transfer Hydrogenation Catalysts","Organometallics","2005","24","7","1660","1669","10.1021/om0491701","","","","","","","","","","","","","","","","","","","","","has coordinates","219014","2020-10-21","18:00:00",""
"4060658","42.757","0.002","10.6371","0.0006","14.4885","0.0007","90","","103.427","0.002","90","","6409.4","0.6","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C8 Br6 O9 Ru4 -","- C8 Br6 O9 Ru4 -","- C96 Br72 O108 Ru48 -","12","3","","","","Organometallics","2006","","","","","10.1021/om050850t","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060716","18.282","0.001","7.71","0.001","15.709","0.001","90","","105.05","0.02","90","","2138.3","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22.5 H23 Cl3 Os -","- C23.5 Cl3 Os -","- C94 Cl12 Os4 -","4","1","","Weberndörfer, Birgit; Henig, Gerhard; Hockless, David C. R.; Bennet, Martin A.; Werner, Helmut","Synthesis, Molecular Structures and Reactivity of Neutral and Cationic Areneosmium(II) Complexes with Diarylcarbenes as Ligands","Organometallics","2003","22","4","744","758","10.1021/om0207109","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061533","23.502","0.005","19.525","0.004","13.015","0.003","90","","115.1","0.03","90","","5408.4","1.9","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C98 H106 Ge2 N4 Ni P6 Si4 -","- C98 H106 Ge2 N4 Ni P6 Si4 -","- C196 H212 Ge4 N8 Ni2 P12 Si8 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om0503085","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061699","22.692","0.001","8.3884","0.0005","20.411","0.001","90","","110.821","0.003","90","","3631.5","0.3","110","1","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H50 O2 S Si2 -","- C38 H50 O2 S Si2 -","- C152 H200 O8 S4 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050560c","","","","","","","","","","","","","","","","","","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4061927","18.057","0.001","10.419","0.001","24.265","0.001","90","","90","0.03","90","","4565.1","0.5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H32 I2 N2 Si2 Sn -","- C26 H32 I2 N2 Si2 Sn -","- C156 H192 I12 N12 Si12 Sn6 -","6","1.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4061941","20.337","0.007","10.6875","0.0016","14.484","0.005","90","","126.67","0.02","90","","2525.2","1.2","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H43 B Li N2 P -","- C25 H43 B Li N2 P -","- C100 H172 B4 Li4 N8 P4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4062083","22.9498","0.0011","9.5115","0.0004","20.3401","0.0008","90","","90.216","0.003","90","","4439.9","0.3","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46.5 H61 Cl P2 Pd S2 -","- C46.5 H61 Cl P2 Pd S2 -","- C186 H244 Cl4 P8 Pd4 S8 -","4","1","","Duran, Josep; Brugat, Núria; Polo, Alfonso; Real, Julio; Fontrodona, Xavier; Benet-Buchholz, Jordi","Synthesis and characterization of a new chiral phosphinothiol ligand derived from (-)-menthone and its palladium(II) and platinum(II) complexes","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062084","22.8698","0.0005","9.5592","0.0002","20.3273","0.0005","90","","90.193","0.001","90","","4443.87","0.17","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46.5 H61 Cl P2 Pt S2 -","- C46.5 H61 Cl P2 Pt S2 -","- C186 H244 Cl4 P8 Pt4 S8 -","4","1","","Duran, Josep; Brugat, Núria; Polo, Alfonso; Real, Julio; Fontrodona, Xavier; Benet-Buchholz, Jordi","Synthesis and characterization of a new chiral phosphinothiol ligand derived from (-)-menthone and its palladium(II) and platinum(II) complexes","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062138","21.541","0.004","12.051","0.002","8.919","0.002","90","","97.15","0.03","90","","2297.2","0.8","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C17 H28 F3 N O3 Pd S3 -","- C17 H7 F3 N O3 Pd S3 -","- C68 H28 F12 N4 O12 Pd4 S12 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4062427","24.0169","0.0017","11.4733","0.0008","23.0113","0.0016","90","","113.288","0.001","90","","5824.2","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H34 Cl3.5 Cu2.5 N2 O1.5 -","- C29 H34 Cl3.5 Cu2.5 N2 O1.5 -","- C232 H272 Cl28 Cu20 N16 O12 -","8","2","","Xie, Yong-Rong; Wang, Xi-Sen; Zhao, Hong; Zhang, Jing; Weng, Ling-Hong; Duan, Cun-Ying; Xiong, Ren-Gen; You, Xiao-Zeng; Xue, Zi-Ling","Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid Based on Chiral Ammonium Salts as Building Blocks","Organometallics","2003","22","22","4396","4398","10.1021/om034077i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192093","2020-10-21","18:00:00",""
"4062577","30.225","0.005","14.103","0.003","13.148","0.003","90","","93.08","0.03","90","","5596","2","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H29.5 B F4 O10.25 Rh2 S2 -","- C16 H29 B F4 O10.25 Rh2 S2 -","- C128 H232 B8 F32 O82 Rh16 S16 -","8","2","","Basato, Marino; Biffis, Andrea; Martinati, Gianluca; Zecca, Marco; Ganis, Paolo; Benetollo, Franco; Aronica, Laura A.; Caporusso, Anna M.","Cationic Carboxylato Complexes of Dirhodium(II) with Oxo Thioethers: Promising Catalysts with Unusual Coordination Modes","Organometallics","2004","23","8","1947","1952","10.1021/om0342560","","","","","","","","","","","","","","","","","","","","","has coordinates","209899","2020-10-21","18:00:00",""
"4063008","13.001","0.014","9.256","0.01","15.422","0.014","90","","103.79","0.04","90","","1802","3","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H23 B9 Mn N O3 -","- C11 H23 B9 Mn N O3 -","- C44 H92 B36 Mn4 N4 O12 -","4","1","","Hata, Mitsuhiro; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Revisiting [Mn(CO)~3~(η^5^-nido-7,8-C~2~B~9~H~11~)], the dicarbollide analogue of [(η^5^-C~5~H~5~)Mn(CO)~3~]: reactivity studies leading to boron-atom functionalization","Organometallics","2004","","","","","10.1021/om049822l","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063332","16.114","0.003","18.939","0.003","25.987","0.005","90","","98.317","0.004","90","","7847","2","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C51 H48 O4 P2 -","- C49.75 H36 O4 P2 -","- C398 H288 O32 P16 -","8","2","","Xianghua Yu; Tobin J. Marks","Organophosphine Oxide/Sulfide-Substituted Lanthanide Binaphtholate Catalysts for Enantioselective Hydroamination/Cyclization","Organometallics","2007","26","","365","376","10.1021/om0607999","","","0.71073","MoKα","","0.1719","0.07","","","0.126","0.1489","","","","","","1.001","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063416","34.493","0.002","19.035","0.0013","21.5033","0.0015","90","","100.216","0.001","90","","13894.7","1.6","153","2","153","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H52.5 Ag3 F18 N12 O0.75 P3 -","- C44 H53 Ag3 F18 N12 O0.75 P3 -","- C352 H424 Ag24 F144 N96 O6 P24 -","8","2","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.1003","0.0673","","","0.1812","0.2089","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063443","20.894","0.006","14.139","0.003","22.956","0.006","90","","113.173","0.006","90","","6235","3","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H34 Au Cl3 N2 -","- C27 H34 Au Cl3 N2 -","- C216 H272 Au8 Cl24 N16 -","8","2","","Gaillard, Sylvain; Slawin, Alexandra M. Z.; Bonura, Allen T.; Stevens, Edwin D.; Nolan, Steven P.","Synthetic and Structural Studies of [AuCl3(NHC)] Complexes","Organometallics","2010","29","2","394","","10.1021/om900814e","","","0.71073","MoKα","","0.1443","0.1191","","","0.2929","0.3289","","","","","","1.016","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063585","13.2155","0.001","7.4788","0.0005","13.0612","0.0015","90","","110.992","0.001","90","","1205.24","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Mn N O3 -","- C13 H14 Mn N O3 -","- C52 H56 Mn4 N4 O12 -","4","1","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0385","0.0341","","","0.0815","0.0842","","","","","","0.93","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4064014","23.9174","0.0017","14.883","0.0011","11.7442","0.0009","90","","116.069","0.004","90","","3755.2","0.5","103","2","103","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H49 Cl2 N2 O3.5 P Pd2 -","- C36 H49 Cl2 N2 O3.5 P Pd2 -","- C144 H196 Cl8 N8 O14 P4 Pd8 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.1377","0.0672","","","0.1461","0.202","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065140","22.582","0.012","12.258","0.005","16.303","0.007","90","","128.968","0.008","90","","3509","3","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H95.6 Cl0.4 N4 O1.6 Pd2 -","- C72 H95.6 Cl0.4 N4 O1.6 Pd2 -","- C144 H191.2 Cl0.8 N8 O3.2 Pd4 -","2","0.5","","Egbert, Jonathan D.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthesis, Characterization, and Reactivity of N-Heterocyclic Carbene Palladium(II) Hydroxide Dimers","Organometallics","2011","30","17","4494","","10.1021/om200579h","","","0.71073","MoKα","","0.0812","0.0626","","","0.1583","0.1738","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066091","28.022","0.008","11.313","0.003","8.017","0.002","90","","97.069","0.011","90","","2522.2","1.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H25 Cl O3 -","- C31 H25 Cl O3 -","- C124 H100 Cl4 O12 -","4","1","","Fu, Xiaoping; Liu, Yuanhong; Li, Yuxue","Aldehyde Addition to 1,3-Butadiyne-Derived Zirconacyclocumulenes: Stereoselective Synthesis ofcis-[3]Cumulenols","Organometallics","2010","29","13","3012","","10.1021/om100287d","","","0.71073","MoKα","","0.1443","0.0715","","","0.15","0.1731","","","","","","0.794","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066330","11.171","0.004","19.068","0.007","30.599","0.011","90","","99.86","0.007","90","","6422","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H56 Cl6 Cr2 P4 -","- C56 H56 Cl6 Cr2 P4 -","- C224 H224 Cl24 Cr8 P16 -","4","1","","Kim, Sung-Kwan; Kim, Tae-Jin; Chung, Jae-Ho; Hahn, Tak-Kyu; Chae, Sung-Soek; Lee, Ho-Seong; Cheong, Minserk; Kang, Sang Ook","Bimetallic Ethylene Tetramerization Catalysts Derived from Chiral DPPDME Ligands: Syntheses, Structural Characterizations, and Catalytic Performance of [(DPPDME)CrCl3]2(DPPDME =S,S- andR,R-chiraphos andmeso-achiraphos)","Organometallics","2010","29","22","5805","","10.1021/om100400b","","","0.71073","MoKα","","0.1235","0.0625","","","0.1371","0.1575","","","","","","0.885","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066813","15.7384","0.0017","8.9528","0.0015","20.893","0.002","90","","94.745","0.003","90","","2933.8","0.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H48 O3 Si4 W -","- C23 H45 O3 Si4 W -","- C92 H180 O12 Si16 W4 -","4","1","","Ray, Mausumi; Nakao, Yoshihide; Sato, Hirofumi; Sakaki, Shigeyoshi; Watanabe, Takahito; Hashimoto, Hisako; Tobita, Hiromi","Experimental and Theoretical Study of a Tungsten Dihydride Silyl Complex: New Insight into Its Bonding Nature and Fluxional Behavior","Organometallics","2010","29","23","6267","","10.1021/om100653v","","","0.71073","MoKα","","0.1384","0.1243","","","0.2919","0.3036","","","","","","1.124","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066989","42.873","0.007","5.706","0.001","13.107","0.002","90","","90.4","0.004","90","","3206.3","0.9","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H35 Br N2 O9 -","- C33 H35 Br N2 O9 -","- C132 H140 Br4 N8 O36 -","4","1","","Yang, Chien-Chan; Lin, Pei-Syuan; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsian; Peng, Shie-Ming","Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes of Silver(I) and Palladium(II): Efficient Water-Soluble Suzuki−Miyaura Coupling Palladium(II) Catalysts","Organometallics","2010","29","22","5959","","10.1021/om100751r","","","0.71073","MoKα","","0.0796","0.0588","","","0.1475","0.1637","","","","","","1.052","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4066993","41.6048","0.0009","10.2616","0.0002","19.147","0.0005","90","","114.074","0.0013","90","","7463.4","0.3","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C71 H78 Br2 N4 O18 Pd -","- C71 H78 Br2 N4 O18 Pd -","- C284 H312 Br8 N16 O72 Pd4 -","4","1","","Yang, Chien-Chan; Lin, Pei-Syuan; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsian; Peng, Shie-Ming","Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes of Silver(I) and Palladium(II): Efficient Water-Soluble Suzuki−Miyaura Coupling Palladium(II) Catalysts","Organometallics","2010","29","22","5959","","10.1021/om100751r","","","0.71073","MoKα","","0.1141","0.064","","","0.1626","0.1822","","","","","","1.005","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4067040","16.8056","0.0008","6.9654","0.0004","18.7706","0.0009","90","","105.241","0.002","90","","2119.96","0.19","173","","173","","","","","","","","LOC ETH Zurich","5","C 1 2 1","C 2y","5","","","","- C24 H21 B F5 N3 -","- C24 H21 B F5 N3 -","- C96 H84 B4 F20 N12 -","4","1","","Paul, Susann; Schweizer, W. Bernd; Ebert, Marc-Olivier; Gilmour, Ryan","A Novel Fluorinated Gold(I) N-Heterocyclic Carbene Complex: Exploiting Fluorine Stereoelectronic Effects To Control Molecular Topology","Organometallics","2010","29","20","4424","","10.1021/om100789n","","","0.71073","MoKα","","0.0634","0.0468","","","0.124","0.1401","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067312","28.2448","0.001","8.7037","0.0004","13.8195","0.0005","90","","97.382","0.003","90","","3369.1","0.2","133","2","133","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H42.5 F6 N4 O2.75 P Pd2 -","- C26 H42.5 F6 N4 O2.75 P Pd2 -","- C104 H170 F24 N16 O11 P4 Pd8 -","4","1","","Ficks, Arne; Sibbald, Connor; John, Michael; Dechert, Sebastian; Meyer, Franc","Dinuclear Allylpalladium Complexes ofC2-Symmetric Pyrazolate-Bridged Bis(oxazoline) Ligands (pyrbox's): Structures, Dynamic Behavior, and Application in Asymmetric Allylic Alkylation","Organometallics","2010","29","5","1117","","10.1021/om900835f","","","0.71073","MoKα","","0.0611","0.0533","","","0.1341","0.1386","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067735","16.16","0.003","10.545","0.002","22.036","0.004","90","","106.59","0.03","90","","3598.8","1.3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H57 Si10 -","- C19 H57 Si10 -","- C76 H228 Si40 -","4","1","","Wallner, Andreas; Hlina, Johann; Konopa, Tina; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Flörke, Ulrich","Cyclic and Bicyclic Methylpolysilanes and Some Oligosilanylene-Bridged Derivatives","Organometallics","2010","29","12","2660","","10.1021/om901104h","","","0.71073","MoKα","","0.1078","0.0858","","","0.1485","0.1574","","","","","","1.105","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067818","49.081","0.01","6.2623","0.0013","10.855","0.002","90","","92.4","0.03","90","","3333.5","1.2","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 I N4 Pt -","- C36 H41 I N4 Pt -","- C144 H164 I4 N16 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0573","0.0471","","","0.091","0.0978","","","","","","1.082","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067842","12.318","0.0004","17.2038","0.0006","12.0957","0.0004","90","","97.676","0.001","90","","2540.31","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C57 H45 N4 O Rh -","- C57 H45 N4 O Rh -","- C114 H90 N8 O2 Rh2 -","2","0.5","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0611","0.0566","","","0.1616","0.1684","","","","","","1.126","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4068091","46.4335","0.0019","7.3273","0.0002","23.5143","0.001","90","","110.669","0.003","90","","7485.4","0.5","180","","180","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C324 H468 B12 N24 -","12","3","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","0.71073","MoKα","","0.0551","0.0464","","","0.106","0.1098","","","","","","1.057","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068092","20.7759","0.0008","7.1727","0.0003","19.0739","0.0006","90","","106.583","0.004","90","","2724.16","0.19","189.9","","189.9","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H39 B N2 -","- C33 H39 B N2 -","- C132 H156 B4 N8 -","4","1","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","1.5418","CuKα","","0.0681","0.0542","","","0.1336","0.1448","","","","","","1.035","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068425","24.7253","0.0009","12.9836","0.0004","21.7178","0.0006","90","","99.008","0.002","90","","6885.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C74 H87 O6.5 P3 Rh -","- C74 H87 O6.5 P3 Rh -","- C296 H348 O26 P12 Rh4 -","4","1","","Rubio, Miguel; Suárez, Andrés; del Río, Diego; Galindo, Agustín; Álvarez, Eleuterio; Pizzano, Antonio","Rhodium Complexes with Pincer Diphosphite Ligands. Unusual Olefin in-Plane Coordination in Square-Planar Compounds†","Organometallics","2009","28","2","547","","10.1021/om800830w","","","0.71073","MoKα","","0.0814","0.0711","","","0.1431","0.1561","","","","","","1.047","","","","has coordinates","264242","2021-04-16","08:49:50",""
"4068576","15.75","0.003","9.6744","0.0019","15.032","0.003","90","","121.43","0.03","90","","1954.4","0.9","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H64 Si2 Ti -","- C38 H64 Si2 Ti -","- C76 H128 Si4 Ti2 -","2","0.5","","Klahn, Marcus; Baumann, Wolfgang; Arndt, Perdita; Burlakov, Vladimir V.; Schareina, Thomas; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and Characterization of Chiral Group 4 Metallocene Alkyne Complexes: (η5-menthyl-C5H4)2M(η2-Me3SiC2SiMe3), M = Ti, Zr⊥","Organometallics","2009","28","3","915","","10.1021/om8009624","","","0.71073","MoKα","","0.0363","0.0284","","","0.0548","0.0562","","","","","","0.902","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068577","15.934","0.003","9.902","0.002","14.921","0.003","90","","120.52","0.03","90","","2028","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H64 Si2 Zr -","- C38 H64 Si2 Zr -","- C76 H128 Si4 Zr2 -","2","0.5","","Klahn, Marcus; Baumann, Wolfgang; Arndt, Perdita; Burlakov, Vladimir V.; Schareina, Thomas; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and Characterization of Chiral Group 4 Metallocene Alkyne Complexes: (η5-menthyl-C5H4)2M(η2-Me3SiC2SiMe3), M = Ti, Zr⊥","Organometallics","2009","28","3","915","","10.1021/om8009624","","","0.71073","MoKα","","0.0347","0.0301","","","0.0583","0.0593","","","","","","0.881","","","","has coordinates,has disorder","178575","2020-10-21","18:00:00",""
"4068758","16.9421","0.0012","9.1677","0.0006","10.0865","0.0007","90","","100.868","0.001","90","","1538.54","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H19 O3 P2 Re S6 -","- C27 H17 O3 P2 Re S6 -","- C54 H34 O6 P4 Re2 S12 -","2","0.5","","Uddin, Md. Nazim; Mottalib, M. Abdul; Begum, Noorjahan; Ghosh, Shishir; Raha, Arun K.; Haworth, Daniel T.; Lindeman, Sergey V.; Siddiquee, Tasneem A.; Bennett, Dennis W.; Hogarth, Graeme; Nordlander, Ebbe; Kabir, Shariff E.","Carbon−Phosphorus Bond Activation of Tri(2-thienyl)phosphine at Dirhenium and Dimanganese Centers","Organometallics","2009","28","5","1514","","10.1021/om801075p","","","0.71073","MoKα","","0.0413","0.0412","","","0.1132","0.1133","","","","","","1.094","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4069163","40.301","0.002","5.9112","0.0003","11.5138","0.0006","90","","104.994","0.001","90","","2649.5","0.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C33 H34 P2 -","- C33 H34 P2 -","- C132 H136 P8 -","4","1","","Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A.","Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation","Organometallics","2009","28","10","2993","","10.1021/om9000583","","","0.71073","MoKα","","0.0321","0.0285","","","0.0704","0.0714","","","","","","0.998","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069315","11.347","0.003","16.188","0.005","16.506","0.005","90","","105.44","0.02","90","","2922.5","1.5","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C57 H52 Cl8 Fe N4 O4 Pd S2 -","- C54 Cl2 Fe N4 O4 Pd S2 -","- C108 Cl4 Fe2 N8 O8 Pd2 S4 -","2","0.5","","Jautze, Sascha; Diethelm, Stefan; Frey, Wolfgang; Peters, René","Diastereoselective Bis-Cyclopalladation of Ferrocene-1,1′-diyl Bis-Imidazolines: Translation of Central via Axial into Planar Chirality","Organometallics","2009","28","7","2001","","10.1021/om900137c","","","0.71073","MoKα","","0.1707","0.1022","","","0.1947","0.2228","","","","","","1.185","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069488","16.0297","0.0008","12.0347","0.0007","15.597","0.0008","90","","92.797","0.003","90","","3005.3","0.3","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H45 Fe N3 O2 Si2 -","- C25 H45 Fe N3 O2 Si2 -","- C100 H180 Fe4 N12 O8 Si8 -","4","1","","Tondreau, Aaron M.; Darmon, Jonathan M.; Wile, Bradley M.; Floyd, Sarah K.; Lobkovsky, Emil; Chirik, Paul J.","Enantiopure Pyridine Bis(oxazoline) “Pybox” and Bis(oxazoline) “Box” Iron Dialkyl Complexes: Comparison to Bis(imino)pyridine Compounds and Application to Catalytic Hydrosilylation of Ketones","Organometallics","2009","28","13","3928","","10.1021/om900224e","","","0.71073","MoKα","","0.0493","0.0355","","","0.0795","0.0857","","","","","","0.996","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069811","21.8837","0.0011","6.7962","0.0004","15.0892","0.0008","90","","94.418","0.003","90","","2237.5","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H48 Cl2 P2 Pd2 -","- C52 H48 Cl2 P2 Pd2 -","- C104 H96 Cl4 P4 Pd4 -","2","0.5","","Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex","Organometallics","2009","28","15","4358","","10.1021/om900423f","","","0.71073","MoKα","","0.0311","0.0292","","","0.0817","0.0833","","","","","","1.256","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069815","21.9239","0.001","6.8683","0.0003","15.0574","0.0007","90","","94.667","0.002","90","","2259.82","0.18","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H48 Cl2 P2 Pd2 -","- C52 H48 Cl2 P2 Pd2 -","- C104 H96 Cl4 P4 Pd4 -","2","0.5","","Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex","Organometallics","2009","28","15","4358","","10.1021/om900423f","","","0.71073","MoKα","","0.0633","0.05","","","0.1393","0.1575","","","","","","1.067","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4070472","20.103","0.0018","7.7479","0.0007","12.5114","0.0012","90","","105.2","0.001","90","","1880.6","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H14 Au2 Cl6 N2 O -","- C11 H14 Au2 Cl6 N2 O -","- C44 H56 Au8 Cl24 N8 O4 -","4","1","","Cinellu, Maria A.; Maiore, Laura; Minghetti, Giovanni; Cocco, Fabio; Stoccoro, Sergio; Zucca, Antonio; Manassero, Mario; Manassero, Carlo","Gold(III) Adducts with Chiral Pyridinyl-Oxazolines. Synthesis, Reactivity of the Coordinated Ligands, and Structural Characterizations","Organometallics","2009","28","24","7015","","10.1021/om900841b","","","0.71073","Mo-Kα","","0.047","0.047","","","0.053","","","","0.979","0.979","0.979","","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070509","20.4041","0.0007","9.719","0.0003","13.7472","0.0004","90","","116.543","0.003","90","","2438.83","0.15","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H41 B8 N3 Pt -","- C15 H41 B8 N3 Pt -","- C60 H164 B32 N12 Pt4 -","4","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0253","0.0217","","","0.0481","0.0494","","","","","","1.053","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070539","12.316","0.002","13.413","0.003","22.081","0.004","90","","95.153","0.002","90","","3632.9","1.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Fe N2 Si2 U -","- C36 H48 Fe N2 Si2 U -","- C144 H192 Fe4 N8 Si8 U4 -","4","1","","Monreal, Marisa J.; Diaconescu, Paula L.","A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands","Organometallics","2008","27","8","1702","","10.1021/om700541u","","","0.71073","MoKα","","0.1018","0.0895","","","0.2026","0.2096","","","","","","1.126","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070571","22.692","0.004","11.993","0.002","10.439","0.0015","90","","104.375","0.012","90","","2752","0.8","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C21 H28 Cl N2 O3 P2 Re -","- C21 H28 Cl N2 O3 P2 Re -","- C84 H112 Cl4 N8 O12 P8 Re4 -","4","1","","Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang","Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP","Organometallics","2008","27","2","218","","10.1021/om700755y","","","0.71073","MoKα","","0.0303","0.0278","","","0.0668","0.0674","","","","","","0.998","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4072584","28.204","0.006","6.7865","0.0014","18.204","0.004","90","","120.183","0.003","90","","3012","1.1","298","2","298","2","","","","","","","synthesis as described","7","C 1 2 1","C 2y","5","","","","- C23 H21 Mo O5 P S6 W -","- C23 H21 Mo O5 P S6 W -","- C92 H84 Mo4 O20 P4 S24 W4 -","4","1","","Hossain, Md. Munkir; Lin, Hsiu-Mei; Shyu, Shin-Guang","Formation of a Dithiophosphinate Ligand Ph2PS2by Sulfur Insertion into the Metal−Phosphido Bond on Heterobimetallic Phosphido-Bridged Complex Cp(CO)2W(μ-PPh2)Mo(CO)5: A Rare Example of a Neutral Six-Electron Mixed-Metal Cluster with a Mo2WS4Core","Organometallics","2007","26","3","685","","10.1021/om0608509","","x-ray","0.71073","MoKα","","0.1696","0.0558","","","0.132","0.1674","","","","","","1.01","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4073107","14.834","0.003","17.7","0.004","18.809","0.004","90","","101.74","0.03","90","","4835.2","1.9","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C54 H78 Sn2 -","- C54 H78 Sn2 -","- C216 H312 Sn8 -","4","1","","Elhamzaoui, Hicham; Jousseaume, Bernard; Toupance, Thierry; Allouchi, Hassan","α,ω-Bis(trialkynyltin) Compounds with a Linear or Cross-Shaped Spacer","Organometallics","2007","26","16","3908","","10.1021/om070078p","","","0.71073","MoKα","","0.0888","0.0814","","","0.1892","0.1944","","","","","","1.12","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073269","20.049","0.007","10.594","0.004","19.372","0.007","90","","103.02","0.006","90","","4009","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C35 H35 F6 N2 P Pd S6 -","- C34.9964 H35 F6 N2 P Pd S6 -","- C139.986 H140 F24 N8 P4 Pd4 S24 -","4","1","","Albano, Vincenzo G.; Bandini, Marco; Moorlag, Carolyn; Piccinelli, Fabio; Pietrangelo, Agostino; Tommasi, Simona; Umani-Ronchi, Achille; Wolf, Michael O.","Electropolymerized Pd-Containing Thiophene Polymer: A Reusable Supported Catalyst for Cross-Coupling Reactions","Organometallics","2007","26","18","4373","","10.1021/om070210l","","","0.71073","MoKα","","0.0786","0.0589","","","0.162","0.1783","","","","","","1.002","","","","has coordinates,has disorder","178621","2020-10-21","18:00:00",""
"4073270","44.368","0.009","10.745","0.002","14.356","0.003","90","","103.65","0.03","90","","6651","2","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H50 F12 Fe O10 P2 Ru4 -","- C62 H50 F12 Fe O10 P2 Ru4 -","- C248 H200 F48 Fe4 O40 P8 Ru16 -","4","1","","Moberg, Viktor; Haukka, Matti; Koshevoy, Igor O.; Ortiz, Roberto; Nordlander, Ebbe","Unprecedented Enantioselectivity in a Cluster-Based Catalytic System","Organometallics","2007","26","17","4090","","10.1021/om070211d","","","0.71073","MoKα","","0.0352","0.028","","","0.0634","0.0659","","","","","","1.015","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073410","15.372","0.007","9.907","0.004","13.781","0.006","90","","103.242","0.007","90","","2042.9","1.5","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C50 H60 Th2 -","- C50 H60 Th2 -","- C100 H120 Th4 -","2","0.5","","Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2","Organometallics","2007","26","14","3568","","10.1021/om7003139","","","0.71073","MoKα","","0.0308","0.0273","","","0.0695","0.0716","","","","","","1.034","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073494","19.5862","0.0019","6.9648","0.0007","8.4605","0.0008","90","","97.906","0.002","90","","1143.16","0.19","115","2","115","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","McGlacken, Gerard P.; O'Brien, Ciara T.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Chiral Mono- and Bis-annelated Cyclopentadienyl Ligands Derived from Tartaric Acid: Synthesis of [(η5-Cyclopentadienyl)RuCl(cod)] and [(η5-Cyclopentadienyl)(η6-benzene)Ru]PF6Derivatives","Organometallics","2007","26","15","3722","","10.1021/om700393b","","","0.71073","MoKα","","0.0403","0.0385","","","0.098","0.0995","","","","","","1.054","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073496","19.719","0.005","7.3842","0.0019","15.748","0.004","90","","113.273","0.005","90","","2106.5","0.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","2","","McGlacken, Gerard P.; O'Brien, Ciara T.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Chiral Mono- and Bis-annelated Cyclopentadienyl Ligands Derived from Tartaric Acid: Synthesis of [(η5-Cyclopentadienyl)RuCl(cod)] and [(η5-Cyclopentadienyl)(η6-benzene)Ru]PF6Derivatives","Organometallics","2007","26","15","3722","","10.1021/om700393b","","","0.71073","MoKα","","0.0983","0.076","","","0.2049","0.2161","","","","","","1.132","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073856","25.536","0.003","22.103","0.002","25.583","0.003","90","","111.308","0.003","90","","13453","3","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C98.67 H69.33 N12 Yb2 -","- C98.6667 H69.3333 N12 Yb2 -","- C592 H416 N72 Yb12 -","6","1.5","","Xiang, Li; Wang, Qiuwen; Song, Haibin; Zi, Guofu","Synthesis, Structural Characterization, and Reactivity of Organolanthanides Derived from a New Chiral Ligand, (R)-Bis(pyrrol-2-ylmethyleneamino)-1,1‘-binaphthyl","Organometallics","2007","26","22","5323","","10.1021/om7006826","","","0.7107","MoKα","","0.0696","0.0599","","","0.1203","0.1275","","","","","","1.051","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073942","16.458","0.003","10.881","0.002","16.485","0.003","90","","117.18","0.03","90","","2626.1","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H42 Si7 -","- C14 H42 Si7 -","- C56 H168 Si28 -","4","1","","Wagner, Harald; Wallner, Andreas; Fischer, Jelena; Flock, Michaela; Baumgartner, Judith; Marschner, Christoph","Rearrangement of Cyclic Silanes with Aluminum Trichloride","Organometallics","2007","26","27","6704","","10.1021/om7007524","","","0.71073","MoKα","","0.0701","0.0561","","","0.1113","0.1181","","","","","","1.037","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4074198","38.78","0.03","10.427","0.007","12.221","0.008","90","","104.467","0.01","90","","4785","6","208","2","208","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H50 Cl N5 Th -","- C61 H50 Cl N5 Th -","- C244 H200 Cl4 N20 Th4 -","4","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.0555","0.0487","","","0.1335","0.1408","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074287","15.599","0.003","6.435","0.001","17.479","0.003","90","","99.433","0.004","90","","1730.8","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","- C52 H80 Ag8 Br8 N16 -","2","0.5","","Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.","Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue","Organometallics","2006","25","20","4850","","10.1021/om0605175","","","0.71073","MoKα","","0.084","0.077","","0.122","","0.119","","","1.175","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074341","43.378","0.009","6.6111","0.0013","9.4509","0.0019","90","","99.34","0.03","90","","2674.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H30 N2 O7 Si -","- C29 H30 N2 O7 Si -","- C116 H120 N8 O28 Si4 -","4","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0444","0.0288","","","0.0556","0.0598","","","","","","0.908","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074572","16.411","0.008","10.432","0.004","14.034","0.007","90","","122.141","0.016","90","","2034.4","1.7","298.1","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H32 Fe -","- C23 H32 Fe -","- C92 H128 Fe4 -","4","1","","Ogasawara, Masamichi; Watanabe, Susumu; Fan, Liyan; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenes by Molybdenum-Catalyzed Enantioselective Metathesis","Organometallics","2006","25","22","5201","","10.1021/om0608298","","","0.71075","MoKα","","","0.0486","","","","0.167","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074608","19.012","0.002","10.631","0.001","31.003","0.003","90","","97.201","0.008","90","","6216.8","1.1","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26.5 H41 Cl2 F6 N P2 Ru -","- C26.5 H41 Cl2 F6 N P2 Ru -","- C212 H328 Cl16 F48 N8 P16 Ru8 -","8","2","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0674","0.0422","","","0.0792","0.0856","","","","","","0.937","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074735","30.0424","0.0018","11.6907","0.0007","17.6982","0.001","90","","121.906","0.001","90","","5276.8","0.5","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H48 Cl Fe2 N2 P2 Rh -","- C50 H48 Cl Fe2 N2 P2 Rh -","- C200 H192 Cl4 Fe8 N8 P8 Rh4 -","4","1","","Bertogg, Andreas; Togni, Antonio","A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes","Organometallics","2006","25","3","622","630","10.1021/om050845p","","","0.71073","MoKα","","0.0845","0.0744","","","0.2103","0.2205","","","","","","1.158","","","","has coordinates","209869","2020-10-21","18:00:00",""
"4075139","22.045","0.006","18.27","0.005","20.12","0.005","90","0.0011","107.694","0.0013","90","0.0011","7720","4","173.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C66 H70 O13 P4 Ru2 -","- C66 H70 O13 P4 Ru2 -","- C264 H280 O52 P16 Ru8 -","4","1","","Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki","Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties","Organometallics","2006","25","10","2547","","10.1021/om060066o","","","0.7107","MoKα","","","0.0724","","","","0.1391","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075426","16.5149","0.0016","9.3288","0.0007","10.5748","0.001","90","","109.12","0.008","90","","1539.3","0.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H38 N4 O2 -","- C36 H38 N4 O2 -","- C72 H76 N8 O4 -","2","0.5","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0618","0.0552","","","0.1288","0.1361","","","","","","1.187","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075743","25.032","0.005","14.67","0.003","13.062","0.003","90","","107.35","0.03","90","","4578.4","1.8","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H44 F6 Ir O3 P2 Sb -","- C50 H44 F6 Ir O3 P2 Sb -","- C200 H176 F24 Ir4 O12 P8 Sb4 -","4","1","","Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.","Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride","Organometallics","2005","24","1","62","","10.1021/om049271z","","","0.71073","MoKα","","0.0489","0.0359","","","0.0684","0.0726","","","","","","1.043","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4076534","29.2304","0.0008","14.9824","0.0004","19.7839","0.0005","90","","126.287","0.0007","90","","6983.8","0.3","173","","173","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C27 H51 Cl3 N O P2 W -","- C27 H43 Cl3 N O P2 W -","- C216 H344 Cl24 N8 O8 P16 W8 -","8","2","","Arashiba, Kazuya; Sasaki, Kouitsu; Kuriyama, Shogo; Miyake, Yoshihiro; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Protonation of Molybdenum‒ and Tungsten‒Dinitrogen Complexes Bearing PNP-Type Pincer Ligands","Organometallics","2012","31","5","2035","","10.1021/om300011z","","","0.71075","MoKα","","","0.0316","","","","0.0785","","","","","","1.009","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4077530","27.088","0.004","9.909","0.001","14.865","0.002","90","","102.82","0.02","90","","3890.5","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 Mo N O5 -","- C21 H16 Mo N O5 -","- C168 H128 Mo8 N8 O40 -","8","2","","van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils","The Mo(η-allyl)(CO)2Moiety as a Robust Marker Group in Bioorganometallic Chemistry. Unusual Crystal Structure of the Phenylalanine Derivative Mo(C5H4-CO-Phe-OMe)(η-allyl)(CO)2","Organometallics","2000","19","18","3730","","10.1021/om0003483","","","0.71073","MoKα","","0.0874","0.0606","","0.1592","0.1413","","","","0.999","1.087","1.087","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077866","20.4881","0.0003","7.9518","0.0001","19.5861","0.0003","90","","110.29","0.0009","90","","2992.92","0.08","200","","200","","","","","","","","?","6","C 1 2 1","C 2y","5","","","","- C32 H31 As F6 O P2 -","- C32 H31 As F6 O P2 -","- C128 H124 As4 F24 O4 P8 -","4","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0464","0.0262","","0.0401","0.03","0.03","","","","","","1.1455","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078036","37.7276","0.001","12.0382","0.0003","14.8599","0.0004","90","","108.999","0.003","90","","6381.3","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C35 H40 Cl2 N2 O Ru -","- C35 H40 Cl2 N2 O Ru -","- C280 H320 Cl16 N16 O8 Ru8 -","8","2","","Barbasiewicz, Michał; Grudzień, Krzysztof; Malinska, Maura","A Missing Relative: A Hoveyda‒Grubbs Metathesis Catalyst Bearing a Peri-Substituted Naphthalene Framework","Organometallics","2012","31","8","3171","","10.1021/om300052b","","","0.71073","","","0.0388","0.0352","","","0.0956","0.0972","","","","","","1.202","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078229","20.875","0.005","8.8602","0.0017","5.2408","0.0011","90","","102.626","0.018","90","","945.9","0.4","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 B N5 O4 S2 -","- C16 H18 B N5 O4 S2 -","- C32 H36 B2 N10 O8 S4 -","2","0.5","","Filthaus, Matthias; Schwertmann, Larissa; Neuhaus, Patrik; Seidel, Rüdiger W.; Oppel, Iris M.; Bettinger, Holger F.","C‒H Bond Amination by Photochemically Generated Transient Borylnitrenes at Room Temperature: A Combined Experimental and Theoretical Investigation of the Insertion Mechanism and Influence of Substituents","Organometallics","2012","31","10","3894","","10.1021/om300063y","","","0.71073","MoKα","","0.082","0.0641","","","0.1573","0.1649","","","","","","1.054","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078830","26.349","0.005","5.9675","0.0012","17.194","0.003","90","","95.25","0.009","90","","2692.2","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H42 N2 O7 Si -","- C22 H42 N2 O7 Si -","- C88 H168 N8 O28 Si4 -","4","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0728","0.0669","","","0.1865","0.1903","","","","","","1.097","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078938","19.2433","0.0006","16.9361","0.0006","14.1667","0.0005","90","","116.072","0.0004","90","","4147.2","0.2","98","2","98","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H65 Cl Y2 -","- C46 H64.98 Cl Y2 -","- C184 H259.92 Cl4 Y8 -","4","1","","Schmiege, Benjamin M.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Y3+Tuck-Over Hydride Complex, (C5Me5)2Y(μ-H)(μ-CH2C5Me4)Y(C5Me5)","Organometallics","2012","31","15","5591","","10.1021/om300546t","","","0.71073","MoKα","","0.0285","0.0253","","","0.0608","0.062","","","","","","1.047","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4079158","22.0087","0.0017","8.489","0.0004","16.4327","0.0013","90","","129.771","0.001","90","","2359.7","0.3","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H70 B N4 O Yb -","- C50 H62 B N4 O Yb -","- C100 H124 B2 N8 O2 Yb2 -","2","0.5","","Shen, Xiaodong; Xue, Mingqiang; Jiao, Rui; Ma, Yong; Zhang, Yong; Shen, Qi","Bis(β-diketiminate) Rare-Earth-Metal Borohydrides: Syntheses, Structures, and Catalysis for the Polymerizations ofl-Lactide, ε-Caprolactone, and Methyl Methacrylate","Organometallics","2012","31","17","6222","","10.1021/om3005299","","","0.71075","MoKα","","0.0323","0.0312","","","0.0664","0.0667","","","","","","1.02","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079353","21.6521","0.0009","12.6935","0.0006","23.1553","0.0013","90","","110.138","0.002","90","","5975","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H74 N6 O4 Si4 Zn2 -","- C50 H74 N6 O4 Si4 Zn2 -","- C200 H296 N24 O16 Si16 Zn8 -","4","1","","Abbina, Srinivas; Du, Guodong","Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide","Organometallics","2012","31","21","7394","","10.1021/om3006992","","","1.54178","CuKα","","0.0259","0.0245","","","0.0616","0.0623","","","","","","1.043","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079586","22.8075","0.0009","7.9164","0.0003","10.481","0.0004","90","","96.834","0.002","90","","1878.93","0.13","150","2","150","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C31 H36 Br2 F12 N2 O P2 Pd2 -","- C31 H36 Br2 F12 N2 O P2 Pd2 -","- C62 H72 Br4 F24 N4 O2 P4 Pd4 -","2","0.5","","Mantas-Öktem, Kevser; Öfele, Karl; Pöthig, Alexander; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Reactions of Nitrogen Donors with Cycloheptatrienylidene Complexes: Metal Coordination versus Nucleophilic Attack on the Carbene Ligand","Organometallics","2012","31","23","8249","","10.1021/om300867g","","","0.71073","MoKα","","0.0197","0.0192","","","0.0485","0.0487","","","","","","1.045","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079659","15.9701","0.0005","10.82036","0.00017","20.1894","0.0006","90","","119.534","0.004","90","","3035.45","0.18","180","2","180","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33.25 H36.5 Au Cl1.5 N2 -","- C33.25 H36.5 Au Cl1.5 N2 -","- C133 H146 Au4 Cl6 N8 -","4","1","","Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis","Organometallics","2012","31","23","8348","","10.1021/om300917m","","","0.7107","MoKα","","0.0332","0.0271","","","0.0585","0.0615","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079660","16.8311","0.0002","11.27375","0.00019","9.36012","0.00012","90","","100.029","0.0013","90","","1748.94","0.04","180.6","","180.6","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C29 H38 Au F6 N3 O6 S2 -","- C29 H38 Au F6 N3 O6 S2 -","- C58 H76 Au2 F12 N6 O12 S4 -","2","0.5","","Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis","Organometallics","2012","31","23","8348","","10.1021/om300917m","","","1.5418","CuKα","","0.0252","0.0251","","","0.0663","0.0663","","","","","","1.052","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079728","21.374","0.0012","13.3834","0.0008","21.1553","0.0012","90","","96.549","0.004","90","","6012.1","0.6","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","[Pd2(pentalene(SiiPr3)2)2]","","","- C52 H92 Pd2 Si4 -","- C43.212 H76.452 Pd2 Si3.324 -","- C172.848 H305.808 Pd8 Si13.296 -","4","1","","Summerscales, Owen T.; Rivers, Christopher J.; Taylor, Morgan J.; Hitchcock, Peter B.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Double-Sandwich Pentalene Complexes M2(pent†)2(M = Rh, Pd; pent†= 1,4-Bis(triisopropylsilyl)pentalene): Synthesis, Structure, and Bonding","Organometallics","2012","31","24","8613","","10.1021/om3010004","","x-ray","0.71073","MoKα","","0.1155","0.1087","","","0.2962","0.3021","","","","","","1.135","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079986","20.0006","0.0006","6.4932","0.0002","16.3362","0.0005","90","","94.695","0.001","90","","2114.43","0.11","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H23 Fe P S -","- C25 H23 Fe P S -","- C100 H92 Fe4 P4 S4 -","4","1","","Štěpnička, Petr; Škoch, Karel; Císařová, Ivana","Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines","Organometallics","2013","32","2","623","","10.1021/om3011245","","","0.71073","MoKα","","0.019","0.0181","","","0.0464","0.0469","","","","","","1.052","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080101","35.2455","0.0018","6.7435","0.0003","9.625","0.0006","90","","102.636","0.005","90","","2232.2","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 Cl2 N2 Pd -","- C24 H26 Cl2 N2 Pd -","- C96 H104 Cl8 N8 Pd4 -","4","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.7107","MoKα","","0.0324","0.0282","","","0.0538","0.0571","","","","","","1.077","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080132","28.475","0.006","9.796","0.002","24.756","0.005","90","","114.67","0.03","90","","6275","3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H47 Al2 N2 Y -","- C27 H47 Al2 N2 Y -","- C216 H376 Al16 N16 Y8 -","8","2","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0945","0.0745","","","0.1454","0.1534","","","","","","1.2","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080198","13.282","0.003","12.463","0.003","10.964","0.002","90","","118.85","0.03","90","","1589.7","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 O2 Sc -","- C31 H39 B2 N2 O2 Sc -","- C62 H78 B4 N4 O4 Sc2 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.102","0.0594","","","0.1153","0.1306","","","","","","0.883","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080199","13.297","0.003","12.881","0.003","10.822","0.002","90","","117","0.03","90","","1651.5","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 La N2 O2 -","- C31 H39 B2 La N2 O2 -","- C62 H78 B4 La2 N4 O4 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0298","0.0294","","","0.067","0.0681","","","","","","1.035","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080200","13.223","0.003","12.679","0.003","10.765","0.002","90","","116.91","0.03","90","","1609.4","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 Nd O2 -","- C31 H47 B2 N2 Nd O2 -","- C62 H94 B4 N4 Nd2 O4 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0339","0.0338","","","0.0713","0.0714","","","","","","1.015","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080201","13.223","0.003","12.678","0.003","10.773","0.002","90","","117.34","0.03","90","","1604.3","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 O2 Sm -","- C31 H47 B2 N2 O2 Sm -","- C62 H94 B4 N4 O4 Sm2 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0223","0.0223","","","0.0523","0.0523","","","","","","1.075","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080202","13.256","0.003","12.6","0.003","10.874","0.002","90","","118.16","0.03","90","","1601.3","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 O2 Yb -","- C31 H39 B2 N2 O2 Yb -","- C62 H78 B4 N4 O4 Yb2 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0235","0.0235","","","0.059","0.059","","","","","","1.052","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080203","13.25","0.003","12.6","0.003","10.877","0.002","90","","118.22","0.03","90","","1600.1","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 Lu N2 O2 -","- C31 H39 B2 Lu N2 O2 -","- C62 H78 B4 Lu2 N4 O4 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0377","0.0357","","","0.0789","0.0818","","","","","","1.083","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080333","23.953","0.001","13.0385","0.0006","17.5487","0.0008","90","","105.657","0.001","90","","5277.3","0.4","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C55 H61 Cl F6 Ir N O2 P3 Sb -","- C55 H61 Cl F6 Ir N O2 P3 Sb -","- C220 H244 Cl4 F24 Ir4 N4 O8 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0659","0.0592","","","0.1432","0.1486","","","","","","1.063","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080835","34.5194","0.001","9.5372","0.0002","24.9507","0.0008","90","","125.88","0.001","90","","6655.5","0.3","115","2","115","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C73 H82 B2 Cl2 Fe2 O4 P2 -","- C73 H82 B2 Cl2 Fe2 O4 P2 -","- C292 H328 B8 Cl8 Fe8 O16 P8 -","4","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.0678","0.0601","","","0.1203","0.127","","","","","","1.088","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4081379","17.886","0.0005","11.528","0.0004","12.189","0.0005","90","","112.726","0.002","90","","2318.13","0.14","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H55 I N4 P2 Ru -","- C50 H55 I N4 P2 Ru -","- C100 H110 I2 N8 P4 Ru2 -","2","0.5","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0302","0.0261","","","0.0643","0.0667","","","","","","1.084","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081511","21.8325","0.0003","8.9628","0.0001","11.3912","0.0002","90","","98.691","0.001","90","","2203.44","0.06","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H50 B2 Cl2 Fe2 N2 -","- C53 H50 B2 Cl2 Fe2 N2 -","- C106 H100 B4 Cl4 Fe4 N4 -","2","0.5","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.032","0.028","","","0.059","0.06","","","","","","1","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081512","21.8206","0.0003","8.9498","0.0001","11.3981","0.0001","90","","98.716","0.001","90","","2200.23","0.04","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H50 B2 Cl2 Fe2 N2 -","- C53 H50 B2 Cl2 Fe2 N2 -","- C106 H100 B4 Cl4 Fe4 N4 -","2","0.5","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.045","0.038","","","0.075","0.077","","","","","","1.05","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081744","42.0009","0.0019","7.0015","0.0005","16.6326","0.0007","90","","100.706","0.004","90","","4806","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H25 B S2 Si -","- C27 H25 B S2 Si -","- C216 H200 B8 S16 Si8 -","8","2","","Mercier, Lauren G.; Piers, Warren E.; Harrington, Ross W.; Clegg, William","Benzo[b]thiophene-Fused Boron and Silicon Ladder Acenes","Organometallics","2013","32","22","6820","","10.1021/om4004187","","","1.54178","CuKα","","0.0597","0.0578","","","0.1482","0.1499","","","","","","1.087","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4082588","7.4204","0.0005","8.5964","0.0006","13.1503","0.0009","90","","104.015","0.004","90","","813.87","0.1","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H26 N2 -","- C18 H26 N2 -","- C36 H52 N4 -","2","0.5","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0693","0.0392","","","0.0902","0.0994","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083610","18.846","0.001","10.385","0.0007","10.6921","0.001","90","","110.284","0.005","90","","1962.8","0.3","150","1","150","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H48 N6 O4 Pd -","- C42 H48 N6 O4 Pd -","- C84 H96 N12 O8 Pd2 -","2","0.5","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0535","0.0524","","","0.1422","0.1464","","","","","","1.082","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083967","48.157","0.007","9.5111","0.0014","15.123","0.002","90","","98.601","0.002","90","","6848.8","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C55 H72 Cl6 Eu2 N11 O6 -","- C55 H72 Cl6 Eu2 N11 O6 -","- C220 H288 Cl24 Eu8 N44 O24 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0595","0.0539","","","0.1425","0.1462","","","","","","1.125","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4084080","15.703","0.001","12.742","0.001","10.787","0.001","90","","97.974","0.004","90","","2137.5","0.3","150","","150","","","","","","","","?","5","C 1 2 1","C 2y","5","","ruthenocenylmethylium tetra(3,5-bis(trifluoromethyl)phenyl)borate","","- C43 H24 B F24 Ru -","- C43 H24 B F24 Ru -","- C86 H48 B2 F48 Ru2 -","2","0.5","","Barlow, Stephen; Cowley, Andrew; Green, Jennifer C.; Brunker, Tim J.; Hascall, Tony","The Ruthenocenylmethylium Cation: Isolation and Structures ofη5-Cyclopentadienyl-η6-fulvene-ruthenium(II) Salts","Organometallics","2001","20","25","5351","","10.1021/om010667+","","","0.71069","MoKα","","","0.0328","","","","0.0398","","","","","","1.0545","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084424","27.0319","0.001","11.1259","0.0003","22.0484","0.0008","90","","92.614","0.003","90","","6624.2","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H36 Cl N3 O3.5 Pd -","- C36 H24 Cl N3 O3.5 Pd -","- C288 H192 Cl8 N24 O28 Pd8 -","8","2","","He, Jianyun; Liu, Zhanxiong; Du, Gaixia; Fu, Yinxia; Zhang, Shaowen; Li, Xiaofang","Chiral Palladium(II) and Nickel(II) Complexes withC2-Symmetrical Tridentate Bis(oxazoline) Ligands: Synthesis, Characterization, and Catalytic Norbornene Polymerization","Organometallics","2014","33","21","6103","","10.1021/om5007616","","","0.71073","MoKα","","0.0671","0.0484","","","0.1152","0.1266","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084608","43.1922","0.0008","8.5461","0.0002","26.5582","0.0005","90","","90.458","0.002","90","","9803","0.3","110","0.1","110","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50.25 H76.5 Cl0.5 Fe O7 P2 -","- C50.25 H76.5 Cl0.5 Fe O7 P2 -","- C402 H612 Cl4 Fe8 O56 P16 -","8","2","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.037","0.0333","","","0.0807","0.0825","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084611","34.843","0.0015","8.2055","0.0003","21.7894","0.0011","90","","106.881","0.005","90","","5961.2","0.5","109.95","0.1","109.95","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H84 Cl0 Fe4 O9 P2 -","- C66 H84 Fe4 O9 P2 -","- C264 H336 Fe16 O36 P8 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","1.54184","CuKα","","0.0352","0.0314","","","0.0745","0.076","","","","","","0.983","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084757","9.9566","0.0005","18.054","0.0007","13.3669","0.0006","90","","110.317","0.005","90","","2253.3","0.19","130","2","130","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C18 H32 F6 Ni P2 -","- C18 H32 F6 Ni P2 -","- C72 H128 F24 Ni4 P8 -","4","1","","Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.","Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications","Organometallics","2014","33","23","6796","","10.1021/om500767p","","x-ray","0.71073","MoKα","","0.0334","0.0293","","","0.0723","0.0737","","","","","","1.005","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084844","29.518","0.003","10.8722","0.0011","12.9904","0.0014","90","","94.993","0.002","90","","4153.1","0.7","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C38 H44 F12 N O2 P Ru Sb2 -","- C38 H44 F12 N O2 P Ru Sb2 -","- C152 H176 F48 N4 O8 P4 Ru4 Sb8 -","4","1","","Pardo, Pilar; Carmona, Daniel; Lamata, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Reactivity of the Chiral Metallic Brønsted Acid [(η6-p-MeC6H4iPr)Ru(κ3P,O,O′-POH)][SbF6]2(POH= (SC1,RC2)-Ph2PC(Ph)HC(OH)HCH2OMe) toward Aldimines","Organometallics","2014","33","23","6927","","10.1021/om501018r","","","0.71073","MoKα","","0.0803","0.0556","","","0.1046","0.114","","","","","","1.034","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4085152","20.253","0.003","9.3776","0.0009","11.5863","0.0018","90","","118.8","0.02","90","","1928.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H68 N2 Si2 V -","- C38 H68 N2 Si2 V -","- C76 H136 N4 Si4 V2 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.073","0.0474","","","0.0871","0.0988","","","","","","1.044","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085153","21.1726","0.0004","10.8238","0.0002","17.2399","0.0003","90","","112.341","0.002","90","","3654.28","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N2 Si2 V -","- C36 H64 N2 Si2 V -","- C144 H256 N8 Si8 V4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0253","0.0251","","","0.0646","0.0648","","","","","","1.021","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085154","18.2976","0.0012","8.4153","0.0004","10.3168","0.0006","90","","118.956","0.008","90","","1389.99","0.18","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C36 H42 Cr -","- C36 H42 Cr -","- C72 H84 Cr2 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0232","0.0227","","","0.0571","0.0574","","","","","","1.059","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085158","19.0012","0.0012","10.2756","0.0005","10.8293","0.0008","90","","119.646","0.009","90","","1837.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Cr N2 Si2 -","- C36 H64 Cr N2 Si2 -","- C72 H128 Cr2 N4 Si4 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0293","0.0285","","","0.0759","0.0764","","","","","","1.079","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085159","20.3829","0.0006","9.3659","0.0002","11.5616","0.0004","90","","118.629","0.004","90","","1937.31","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H68 N2 Si2 Ti -","- C38 H68 N2 Si2 Ti -","- C76 H136 N4 Si4 Ti2 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0259","0.0253","","","0.0675","0.0677","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4085613","33.75","0.011","20.155","0.006","20.504","0.007","90","","117.045","0.003","90","","12422","7","293.1","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C243 H286 B3 Cl6 F12 Ir3 O12 P6 -","- C243 H286 B3 Cl6 F12 Ir3 O12 P6 -","- C486 H572 B6 Cl12 F24 Ir6 O24 P12 -","2","0.5","","Obora, Yasushi; Liu, Yun Kui; Jiang, Li Hong; Takenaka, Kazuhiro; Tokunaga, Makoto; Tsuji, Yasushi","Iridium(I) and Rhodium(I) Cationic Complexes with Triphosphinocalix[6]arene Ligands: Dynamic Motion with Size-Selective Molecular Encapsulation","Organometallics","2005","24","1","4","6","10.1021/om049227j","","","0.7107","MoKα","","","0.062","","","","0.076","","","","","","1.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085723","17.6254","0.0007","9.4691","0.0004","12.5686","0.0005","90","","96.244","0.002","90","","2085.21","0.15","293","2","293","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C13 H17 Cl2 O5 P Ru -","- C13 H15 Cl2 O5.005 P Ru -","- C52 H60 Cl8 O20.02 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis","Organometallics","2015","34","10","1864","","10.1021/om501300p","","x-ray","0.71073","MoKα","","0.094","0.0522","","","0.1264","0.1408","","","","","","0.993","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086042","11.1769","0.0003","11.755","0.0003","5.8962","0.0002","90","","93.091","0.002","90","","773.54","0.04","133","2","133","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H17 N -","- C22 H17 N -","- C44 H34 N2 -","2","0.5","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","s-Block-Metal-Mediated Hydroamination of Diphenylbutadiyne with Primary Arylamines Using a Dipotassium Tetrakis(amino)calciate Precatalyst","Organometallics","2015","34","14","3577","","10.1021/acs.organomet.5b00449","","","0.71073","MoKα","","0.0288","0.0285","","","0.0727","0.0731","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086318","20.0987","0.0015","9.4936","0.0006","23.0515","0.0016","90","","114.717","0.006","90","","3995.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H57 Cr N O2 -","- C44.5 H57 Cr N O2 -","- C178 H228 Cr4 N4 O8 -","4","1","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.0487","0.0452","","","0.126","0.1283","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086854","24.156","0.007","12.24","0.004","29.519","0.009","90","","104.219","0.004","90","","8460","5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C112 H162 Ag4 B2 F8 N8 -","- C112 H162 Ag4 B2 F8 N8 -","- C336 H486 Ag12 B6 F24 N24 -","3","0.75","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","","0.71073","MoKα","","0.0389","0.0359","","","0.0877","0.0911","","","","","","1.049","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4088111","27.049","0.009","8.353","0.003","16.701","0.005","90","","98.223","0.005","90","","3735","2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H42 P2 Ru S -","- C45 H42 P2 Ru S -","- C180 H168 P8 Ru4 S4 -","4","1","","Hu, Yue; Shaw, Anthony P.; Guan, Hairong; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis and Resolution of Chiral Ruthenium Complexes Containing the 1-Me-3-PhCp Ligand","Organometallics","2015","35","1","39","","10.1021/acs.organomet.5b00852","","","0.71073","MoKα","","0.086","0.0529","","","0.0732","0.0814","","","","","","1.002","","","","has coordinates","237279","2020-10-21","18:00:00",""
"4088639","13.2479","0.0004","13.5201","0.0004","13.9401","0.0006","90","","117.891","0.002","90","","2206.82","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H28 Fe2 Si Sn -","- C24 H28 Fe2 Si Sn -","- C96 H112 Fe8 Si4 Sn4 -","4","1","","Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder","Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties","Organometallics","2016","35","11","1964","","10.1021/acs.organomet.6b00272","","","1.54178","CuKα","","0.052","0.05","","","0.114","0.117","","","","","","1.17","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4089166","20.47","0.003","19.715","0.003","24.976","0.003","90","","104.265","0.002","90","","9769","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C59.5 H47 Cl3 N4 Os P2 -","- C59.5 H47 Cl3 N4 Os P2 -","- C476 H376 Cl24 N32 Os8 P16 -","8","2","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand","Organometallics","2016","35","23","3981","","10.1021/acs.organomet.6b00776","","","0.71073","MoKα","","0.0548","0.0469","","","0.1142","0.1196","","","","","","1.041","","","","has coordinates,has disorder","238011","2020-10-21","18:00:00",""
"4089451","21.712","0.0006","7.334","0.0002","4.0807","0.0001","90","","90.466","0.001","90","","649.77","0.03","103","2","103","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H10 Cu I O2 P2 -","- C10 H10 Cu I O2 P2 -","- C20 H20 Cu2 I2 O4 P4 -","2","0.5","","Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides","Organometallics","2013","32","12","3562","","10.1021/om400207y","","","0.71073","MoKα","","0.0199","0.0182","","","0.0446","0.0713","","","","","","1.177","","","","has coordinates","243647","2020-10-21","18:00:00",""
"4100026","15.856","0.001","9.4706","0.0008","20.2922","0.0014","90","","112.441","0.004","90","","2816.4","0.4","160","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","1,5-bis-(1-cyclohexyl-4-hydroxy-4-methyl-3-oxopentyl)-1-methyl-1H-pyrrole","","- C29 H47 N O4 -","- C29 H47 N O4 -","- C116 H188 N4 O16 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony","α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations","Journal of the American Chemical Society","2005","","","","","10.1021/ja0423217","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100029","17.381","0.003","5.8345","0.001","11.3055","0.0018","90","","112.239","0.002","90","","1061.2","0.3","173","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 Co2 S2 -","- C24 H24 Co2 S2 -","- C48 H48 Co4 S4 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050160g","","","","","","","","","","","","","","","","","","","","","has coordinates","178746","2020-10-21","18:00:00",""
"4100200","31.635","0.003","7.6556","0.0007","22.102","0.002","90","","133.882","0.001","90","","3858.1","0.6","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H52 Br2 N4 Ni -","- C40 H52 Br2 N4 Ni -","- C160 H208 Br8 N16 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100400","19.3","0.005","4.7397","0.001","16.127","0.004","90","","102.838","0.007","90","","1438.4","0.6","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C56 H100 Cl4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100536","39.028","0.008","7.6664","0.0015","15.523","0.003","90","","96.35","0.03","90","","4615.9","1.6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H45 N7 O15 S3 -","- C34 H43 N7 O15 S3 -","- C136 H172 N28 O60 S12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100543","20.8","0.03","5.136","0.006","7.102","0.009","90","","101.33","0.02","90","","744","1.6","121.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Br3 N4 Ni -","- C8 H24 Br3 N4 Ni -","- C16 H48 Br6 N8 Ni2 -","2","0.5","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Direct Observation of Real Disorder of Methyl Group of (R)-1,2-Diaminopropane Ligand in Quasi-1D Bromo-Bridged Ni(III) Complex by STM","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100563","34.764","0.007","7.7896","0.0016","8.8527","0.0018","90","","101.6","0.03","90","","2348.3","0.8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H28 Cl N O3 S2 -","- C22 H28 Cl N O3 S2 -","- C88 H112 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100650","18.859","0.016","24.37","0.02","15.585","0.014","90","","111.17","0.08","90","","6680","10","293","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","6-AmCio-b-CD","","","- C51 H57 N O43 -","- C51 H57 N O43 -","- C204 H228 N4 O172 -","4","1","","Nissinen, Maija; Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042840+","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100771","65.582","0.0013","13.9473","0.0003","18.5091","0.0004","90","","96.5331","0.0008","90","","16820.2","0.6","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C95 H147 Cl9 O8 P8 Pt4 -","- C95 H147 Cl9 O8 P8 Pt4 -","- C570 H882 Cl54 O48 P48 Pt24 -","6","1.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100776","40.5363","0.0008","7.6077","0.0001","10.7656","0.0002","90","","96.553","0.002","90","","3298.29","0.1","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Svetlana A. Burova; Frank E. McDonald","Total Synthesis of the Polyene-Polyol Macrolide RK-397, Featuring Cross-Couplings of Alkynylepoxide Modules","Journal of the American Chemical Society","2004","126","","2495","2500","10.1021/ja039618+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100935","24.876","0.006","7.3861","0.0018","3.7573","0.0009","90","","96.848","0.003","90","","685.4","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","1,3-Bis(m-nitrophenyl)urea","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Hiremath, Rupa; Swift, Jennifer A.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178755","2020-10-21","18:00:00",""
"4100958","17.552","0.004","8.9917","0.0018","15.525","0.003","90","","120.61","0.03","90","","2108.7","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 Cl N O -","- C23 H25 Cl N O -","- C92 H100 Cl4 N4 O4 -","4","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4101016","21.478","0.006","8.597","0.002","36.446","0.01","90","","94.718","0.005","90","","6707","3","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H88 I N O15 Si -","- C57 H88 I N O15 Si -","- C228 H352 I4 N4 O60 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054748z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101039","48.779","0.003","5.923","0.0003","15.376","0.001","90","","106.077","0.003","90","","4268.7","0.4","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C200 H232 N8 O16 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056474l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101203","24.918","0.006","10.095","0.004","18.647","0.005","90","","133.96","0.02","90","","3376.4","1.8","299","2","299","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H56 N2 O4 S Si -","- C31 H56 N2 O4 S Si -","- C124 H224 N8 O16 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101300","41.893","0.002","6.8695","0.0003","8.4203","0.0003","90","","90.833","0.002","90","","2422.97","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","?","- C112 H136 N8 O16 -","- C112 H136 N8 O16 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101333","25.603","0.0013","16.0366","0.001","27.6197","0.0016","90","","99.148","0.002","90","","11196","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C125 H90 Cl6 O8 -","- C125 H90 Cl6 O8 -","- C500 H360 Cl24 O32 -","4","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0912","0.0768","","","0.2166","0.2298","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101441","18.56","0.004","5.8676","0.0011","15.887","0.003","90","","98.155","0.004","90","","1712.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C72 H84 Br4 O12 -","4","1","","Lee, Ai-Lan; Malcolmson, Steven J; Puglisi, Alessandra; Schrock, Richard R; Hoveyda, Amir H","Enantioselective synthesis of cyclic enol ethers and all-carbon quaternary stereogenic centers through catalytic asymmetric ring-closing metathesis.","Journal of the American Chemical Society","2006","128","15","5153","5157","10.1021/ja058428r","","","0.71073","MoKα","","0.0979","0.0697","","","0.0856","0.0929","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101507","18.5","0.005","8.743","0.002","11.512","0.003","90","","124.481","0.004","90","","1535","0.7","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0586","0.0563","","","0.1129","0.1138","","","","","","1.344","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101508","18.482","0.004","8.7351","0.0018","11.511","0.002","90","","124.485","0.002","90","","1531.8","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0551","0.0509","","","0.0976","0.099","","","","","","1.277","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101719","28.549","0.002","12.985","0.0011","20.9316","0.0018","90","","129.993","0.001","90","","5944.8","0.8","138","2","138","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H90 N4 Si2 Sm2 -","- C60 H90 N4 Si2 Sm2 -","- C240 H360 N16 Si8 Sm8 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0208","0.0199","","","0.0502","0.0508","","","","","","1.035","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101815","20.728","0.004","9.1079","0.0015","19.573","0.003","90","","94.207","0.003","90","","3685.2","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-Pro-Aib-D-Val-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl-D-valyl -alpha-aminoisobutyryl-D-valyl-methyl ester","","- C29 H51 N5 O10 -","- C29 H51 N5 O10 -","- C116 H204 N20 O40 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0774","0.0672","","","0.1784","0.1897","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101878","31.1903","0.0013","9.7393","0.0004","8.3897","0.0003","90","","97.722","0.002","90","","2525.44","0.17","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","rac-1,1'-ditertbutylethylenylferrocene","","","- C20 H28 Fe -","- C20 H28 Fe -","- C120 H168 Fe6 -","6","1.5","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0741","0.0592","","","0.1421","0.1507","","","","","","1.043","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101988","22.16888","0.00019","4.71127","0.00005","20.16462","0.00023","90","","126.403","0.0005","90","","1695.1","0.03","","","295","","","","","","","","from green tea","3","C 1 2 1","C 2y","5","catechin","(+)-catechin","","- C15 H23 O10.5 -","- C15 H15 O10.5 -","- C60 H60 O42 -","4","1","","James K. Harper; Jennifer A. Doebbler; Elisabeth Jacques; David M. Grant; Robert B. Von Dreele","A Combined Solid-State NMR and Synchrotron X-ray Diffraction Powder Study on the Structure of the Antioxidant (+)-Catechin 4.5-hydrate.","Journal of the American Chemical Society","2010","132","","2928","2937","10.1021/ja907671p","powder diffraction","x-ray","0.813386","","","","","","","","","0.2215","","1.36","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4102236","13.0078","0.0003","6.8941","0.0002","21.3275","0.0006","90","","91.374","0.002","90","","1912.04","0.09","153","1","153","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H31 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Sebastian Rendler; David W. C. MacMillan","Enantioselective Polyene Cyclization via Organo-SOMO Catalysis","Journal of the American Chemical Society","2010","132","","5027","5029","10.1021/ja100185p","","","1.54178","CuKα","","0.0528","0.0389","","","0.0957","0.1215","","","","","","1.143","","","","has coordinates,has disorder","178768","2020-10-21","18:00:00",""
"4102416","38.042","0.008","11.144","0.002","26.725","0.005","90","","130.87","0.03","90","","8568","5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H51 Br N O6 -","- C40 H52 Br N O6 -","- C320 H416 Br8 N8 O48 -","8","2","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.1214","0.0713","","","0.1832","0.2194","","","","","","0.991","","","","has coordinates,has disorder","178770","2020-10-21","18:00:00",""
"4102992","18.595","0.002","22.072","0.002","15.8951","0.0017","90","","106.429","0.002","90","","6257.4","1.1","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","1","","","- C78 H84 Au N O4 P2 -","- C78 H84 Au N O4 P2 -","- C312 H336 Au4 N4 O16 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0467","0.0354","","","0.0738","0.0837","","","","","","1.043","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4103212","37.113","0.006","8.4961","0.0015","7.3282","0.0013","90","","95.987","0.003","90","","2298.1","0.7","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0551","0.0528","","","0.1413","0.1464","","","","","","1.069","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103213","37.055","0.007","8.5204","0.0017","7.3284","0.0014","90","","95.687","0.003","90","","2302.4","0.8","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Masakazu Morimoto; Masahiro Irie","A Diarylethene Cocrystal that Converts Light into Mechanical Work","Journal of the American Chemical Society","2010","132","","14172","14178","10.1021/ja105356w","","","0.71073","MoKα","","0.0784","0.0759","","","0.1957","0.1998","","","","","","1.114","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103304","34.32","0.004","8.1261","0.0008","10.1674","0.001","90","","99.663","0.003","90","","2795.3","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H26 N6 O6 S6 -","- C22 H26 N6 O6 S6 -","- C88 H104 N24 O24 S24 -","4","1","","Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward","Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities","Journal of the American Chemical Society","2010","132","","14603","14616","10.1021/ja106106d","","","0.71073","MoKα","","0.0277","0.0259","","","0.069","0.0709","","","","","","1.054","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103886","21.111","0.003","17.542","0.003","21.355","0.003","90","","97.37","0.03","90","","7843","2","294","2","294","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C55 H68 F6 N8 O16 S2 Zn -","- C55 H28 F6 N8 O15 S2 Zn -","- C220 H112 F24 N32 O60 S8 Zn4 -","4","1","","Shiyong Zhang; Shuaijun Yang; Jingbo Lan; Yurong Tang; Ying Xue; Jingsong You","Ultrasound-Induced Switching of Sheetlike Coordination Polymer Microparticles to Nanofibers Capable of Gelating Solvents","Journal of the American Chemical Society","2009","131","","1689","1691","10.1021/ja808210z","","","0.71073","MoKα","","0.2714","0.0989","","","0.2457","0.3209","","","","","","0.948","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103941","18.7195","0.0001","8.7594","0.0001","18.3245","0.0001","90","","100.125","0.001","90","","2957.9","0.04","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C144 H112 Br8 N8 O8 -","8","2","","José Barluenga; Eva Tudela; Alfredo Ballesteros; Miguel Tomás","Asymmetric C2-C3 Cyclopentannulation of the Indole Ring","Journal of the American Chemical Society","2009","131","","2096","2097","10.1021/ja809919t","","","1.54184","CuKα","","0.0252","0.0225","","","0.0549","0.0677","","","","","","1.154","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104315","27.857","0.004","7.1869","0.001","13.0085","0.0018","90","","115.185","0.002","90","","2356.8","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H26 Br4 F14 N2 O4 -","- C50 H26 Br4 F14 N2 O4 -","- C100 H52 Br8 F28 N4 O8 -","2","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0316","0.0291","","","0.0726","0.0739","","","","","","1.056","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104318","27.0649","0.0012","7.0704","0.0003","26.3217","0.0013","90","","114.671","0.005","90","","4577.1","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H26 Cl4 F14 N2 O4 -","- C50 H26 Cl4 F14 N2 O4 -","- C200 H104 Cl16 F56 N8 O16 -","4","1","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.1156","0.0507","","","0.0903","0.1129","","","","","","1.042","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104449","23.999","0.004","8.8743","0.0016","18.269","0.003","90","","121.612","0.005","90","","3313.5","1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C35 H37 Cl2 N3 Ni O4 -","- C34 H33 Cl2 N3 Ni O3 -","- C136 H132 Cl8 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0642","0.0546","","","0.1462","0.1525","","","","","","1.037","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104532","21.9803","0.0003","14.3748","0.0002","13.3242","0.0002","90","","120.32","0.005","90","","3634.1","0.2","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 B2 Fe3 N18 O -","- C24 H18 B2 Fe3 N18 O -","- C96 H72 B8 Fe12 N72 O4 -","4","1","","Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato","Reversible Single-Crystal-to-Single-Crystal Transformation from Achiral Antiferromagnetic Hexanuclears to a Chiral Ferrimagnetic Double Zigzag Chain","Journal of the American Chemical Society","2009","131","","7942","7943","10.1021/ja901539y","","","0.71073","MoKα","","0.1611","0.1218","","","0.29","0.3389","","","","","","1.168","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104699","15.2056","0.0012","13.6226","0.0006","36.577","0.003","90","","98.17","0.006","90","","7499.7","0.9","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C35 H36 Cl2 F6 N5 O2 P Ru -","- C35 H36 Cl2 F6 N5 O2 P Ru -","- C280 H288 Cl16 F48 N40 O16 P8 Ru8 -","8","2","","Lei Gong; Seann P. Mulcahy; Klaus Harms; Eric Meggers","Chiral-Auxiliary-Mediated Asymmetric Synthesis of Tris-Heteroleptic Ruthenium Polypyridyl Complexes","Journal of the American Chemical Society","2009","131","","9602","9603","10.1021/ja9031665","","","0.71073","MoKα","","0.1488","0.0845","","","0.1774","0.1989","","","","","","0.862","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104783","14.7945","0.0008","7.6873","0.0005","10.2968","0.0008","90","","107.147","0.003","90","","1119","0.13","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H18 Br2 -","- C27 H18 Br2 -","- C54 H36 Br4 -","2","0.5","","Xiaotao Pu; Xiangbing Qi; Joseph M. Ready","Allenes in Asymmetric Catalysis: Asymmetric Ring Opening of meso-Epoxides Catalyzed by Allene-Containing Phosphine Oxides","Journal of the American Chemical Society","2009","131","","10364","10365","10.1021/ja9041127","","","0.7107","MoKα","","0.0378","0.0322","","","0.0757","0.079","","","","","","1.062","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4105172","16.996","0.005","12.515","0.005","16.344","0.005","90","0.005","100.107","0.005","90","0.005","3423","2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C152 H160 N16 O8 S8 -","8","2","","Nan Li; Xiao-Hua Chen; Jin Song; Shi-Wei Luo; Wu Fan; Liu-Zhu Gong","Highly Enantioselective Organocatalytic Biginelli and Biginelli-Like Condensations: Reversal of the Stereochemistry by Tuning the 3,3'-Disubstituents of Phosphoric Acids","Journal of the American Chemical Society","2009","131","","15301","15310","10.1021/ja905320q","","","1.54184","CuKα","","0.0436","0.0401","","","0.0741","0.0756","","","","","","0.999","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105242","19.289","0.004","12.751","0.003","10.29","0.002","90","","117.74","0.03","90","","2240","1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H72 Ge4 Si8 -","- C24 H72 Ge4 Si8 -","- C48 H144 Ge8 Si16 -","2","0.5","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.0631","0.0527","","","0.1166","0.1235","","","","","","1.059","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105400","18.935","0.004","7.047","0.0014","13.304","0.003","90","","123.92","0.03","90","","1473.1","0.7","20","0.1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Elizabeth A. Zhurova; Vladimir V. Zhurov; Deepak Chopra; Adam I. Stash; A. Alan Pinkerton","17α-Estradiol.1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens","Journal of the American Chemical Society","2009","131","","17260","17269","10.1021/ja906057z","","","0.71073","MoKα","","","0.0174","","","","0.01","","","","","","1.0302","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105623","27.139","0.005","8.776","0.0018","23.632","0.005","90","","123.81","0.03","90","","4677","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C200 H272 Cl8 N24 O8 -","8","2","","Dennis X. Hu; Michael D. Clift; Kiel E. Lazarski; Regan J. Thomson","Enantioselective Total Synthesis and Confirmation of the Absolute and Relative Stereochemistry of Streptorubin B","Journal of the American Chemical Society","2011","133","","1799","1804","10.1021/ja109165f","","","0.71073","MoKα","","0.0807","0.057","","","0.1345","0.1529","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4106124","38.458","0.002","5.8962","0.0002","18.4814","0.0014","90","","114.828","0.009","90","","3803.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19.5 Cl2 N O1.25 -","- C20 H19.5 Cl2 N O1.25 -","- C160 H156 Cl16 N8 O10 -","8","2","","Chu-Hung Wei; Subramaniyan Mannathan; Chien-Hong Cheng","Enantioselective Synthesis of β-Substituted Cyclic Ketones via Cobalt-Catalyzed Asymmetric Reductive Coupling of Alkynes with Alkenes","Journal of the American Chemical Society","2011","133","","6942","6944","10.1021/ja201827j","","","1.54178","CuKα","","0.0589","0.0452","","","0.1197","0.1286","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106157","33.877","0.002","7.2517","0.0005","9.6664","0.0006","90","","92.05","0.001","90","","2373.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.041","0.039","","","0.0997","0.1011","","","","","","1.059","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106279","21.7834","0.0008","20.2725","0.0007","21.9159","0.0008","90","","116.475","0.002","90","","8663.2","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H44 N2 O9 -","- C52 H44 N2 O9 -","- C416 H352 N16 O72 -","8","2","","Marina M. Safont-Sempere; Peter Osswald; Matthias Stolte; Matthias Grüne; Manuel Renz; Martin Kaupp; Krzysztof Radacki; Holger Braunschweig; Frank Würthner","Impact of Molecular Flexibility on Binding Strength and Self-Sorting of Chiral π-Surfaces","Journal of the American Chemical Society","2011","133","","9580","9591","10.1021/ja202696d","","","0.71073","MoKα","","0.0911","0.0791","","","0.2314","0.2431","","","","","","1.148","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106477","13.885","0.004","4.4332","0.0009","10.874","0.002","90","","103.141","0.012","90","","651.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- B5 Be6 Cs Na2 O15 -","- B5 Be6 Cs Na2 O15 -","- B10 Be12 Cs2 Na4 O30 -","2","0.5","","Shichao Wang; Ning Ye","Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal","Journal of the American Chemical Society","2011","133","","11458","11461","10.1021/ja204179g","","","0.71073","MoKα","","0.0192","0.0186","","","0.0456","0.0459","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106658","16.4887","0.0006","7.1507","0.0003","14.5744","0.0006","90","","101.336","0.001","90","","1684.88","0.12","100","","100","","","","","","","","diethylether","5","C 1 2 1","C 2y","5","","","","- C16 H17 Cl N2 O6 -","- C16 H17 Cl N2 O6 -","- C64 H68 Cl4 N8 O24 -","4","1","","Volker Hickmann; Azusa Kondoh; Barbara Gabor; Manuel Alcarazo; Alois Fürstner","Catalysis-Based and Protecting-Group-Free Total Syntheses of the Marine Oxylipins Hybridalactone and the Ecklonialactones A, B, and C","Journal of the American Chemical Society","2011","133","","13471","13480","10.1021/ja204027a","","","1.54178","Cu-Kα","","0.0281","0.0267","","","0.0594","0.0598","","","","","","1.083","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106752","15.8983","0.0019","11.2009","0.0013","10.8406","0.0013","90","","103.385","0.002","90","","1878","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","07074a","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0292","0.0277","","","0.0705","0.0715","","","","","","1.031","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106789","29.9461","0.0007","5.0733","0.0001","15.3388","0.0004","90","","90.381","0.002","90","","2330.3","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 F6 N O2 -","- C21 H21 F6 N O2 -","- C84 H84 F24 N4 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0355","0.0345","","","0.0932","0.0939","","","","","","1.093","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106798","64.17","0.04","4.975","0.003","7.285","0.004","90","","94.782","0.007","90","","2318","2","100","2","100","2","","","101.3","","","","","4","C 1 2 1","C 2y","5","","18-(pentylamino)octadecan-7-ol","","- C23 H49 N O -","- C23 H48 N O -","- C92 H192 N4 O4 -","4","1","","V. Ajay Mallia; Paul D. Butler; Bijay Sarkar; K. Travis Holman; Richard G. Weiss","Reversible Phase Transitions within Self-Assembled Fibrillar Networks of (R)-18-(n-Alkylamino)octadecan-7-ols in Their Carbon Tetrachloride Gels","Journal of the American Chemical Society","2011","133","","15045","15054","10.1021/ja204371b","","x-ray","0.71073","MoKα","","0.1579","0.1203","","","0.356","0.3765","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106897","17.5701","0.0005","5.6668","0.0002","20.4694","0.0007","90","","96.082","0.002","90","","2026.59","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Susan L. Zultanski; Gregory C. Fu","Catalytic Asymmetric γ-Alkylation of Carbonyl Compounds via Stereoconvergent Suzuki Cross-Couplings","Journal of the American Chemical Society","2011","133","","15362","15364","10.1021/ja2079515","","","1.54178","CuKα","","0.0506","0.0476","","","0.1306","0.1328","","","","","","1.054","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106903","38.64","0.03","9.835","0.006","10.795","0.007","90","","94.461","0.012","90","","4090","5","113","","113","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H52 N4 O4 Pt2 -","- C44 H52 N4 O4 Pt2 -","- C176 H208 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.1044","","","","0.2425","","","","","","1.039","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106934","23.14","0.009","7.323","0.003","8.379","0.003","90","","95.348","0.006","90","","1413.7","0.9","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H24 Br O4.5 -","- C11 H24 Br O4.5 -","- C44 H96 Br4 O18 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0638","0.039","","","0.0594","0.0652","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107377","23.598","0.003","15.571","0.002","24.217","0.003","90","","91.4127","0.0018","90","","8895.7","1.9","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C82 H138 B2 N16 Tm2 -","- C76 H124 B2 N16 Tm2 -","- C304 H496 B8 N64 Tm8 -","4","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0657","0.0636","","","0.1586","0.1596","","","","","","1.17","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107496","38.433","0.003","5.439","0.0004","18.8955","0.0015","90","","110.179","0.001","90","","3707.4","0.5","125","2","125","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H24 O5 -","- C22 H24 O5 -","- C176 H192 O40 -","8","2","","Maolin Yu; Samuel J. Danishefsky","A Direct Route to Fluostatin C by a Fascinating Diels-Alder Reaction","Journal of the American Chemical Society","2008","130","","2783","2785","10.1021/ja7113757","","","0.71073","MoKα","","0.0874","0.0537","","","0.1252","0.1429","","","","","","1.023","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107785","18.342","0.003","4.9532","0.0007","14.966","0.002","90","","105.889","0.002","90","","1307.7","0.3","202","2","202","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C60 H48 Cl4 N4 O8 -","4","1","","Shui-Ming Lu; Howard Alper","Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams","Journal of the American Chemical Society","2008","130","","6451","6455","10.1021/ja7111417","","","0.71073","MoKα","","0.0576","0.0401","","","0.095","0.1037","","","","","","1.073","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107862","21.3885","0.0013","15.3559","0.0008","21.9899","0.0014","90","","117.885","0.001","90","","6383.8","0.7","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Li3 N6 O6 Y -","- C72 H72 Li3 N6 O6 Y -","- C288 H288 Li12 N24 O24 Y4 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0506","0.044","","","0.0972","0.1016","","","","","","1.053","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107863","21.4512","0.0011","15.2859","0.0007","22.0196","0.0011","90","","117.987","0.001","90","","6375.9","0.5","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Li3 Lu N6 O6 -","- C72 H72 Li3 Lu N6 O6 -","- C288 H288 Li12 Lu4 N24 O24 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0457","0.037","","","0.0676","0.0729","","","","","","1.121","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107864","21.3491","0.0013","15.4596","0.0008","22.1083","0.0014","90","","117.82","","90","","6453.4","0.7","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 La Li3 N6 O6 -","- C72 H72 La Li3 N6 O6 -","- C288 H288 La4 Li12 N24 O24 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0619","0.0598","","","0.1423","0.1442","","","","","","1.051","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107867","21.28","0.003","15.4073","0.0016","21.986","0.003","90","","117.708","0.003","90","","6381.9","1.4","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Eu Li3 N6 O6 -","- C72 H72 Eu Li3 N6 O6 -","- C288 H288 Eu4 Li12 N24 O24 -","4","1","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0491","0.0431","","","0.0935","0.0975","","","","","","1.055","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4108144","34.8354","0.0004","8.90027","0.00015","9.35124","0.00008","90","","93.8815","0.001","90","","2892.65","0.06","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H36 O13 -","- C29 H36 O13 -","- C116 H144 O52 -","4","1","","Ismael Navarro; Jean-François Basset; Séverine Hebbe; Sarah M. Major; Thomas Werner; Catherine Howsham; Jan Bräckow; Anthony G. M. Barrett","Biomimetic Synthesis of Resorcylate Natural Products Utilizing Late Stage Aromatization: Concise Total Syntheses of the Marine Antifungal Agents 15G256ι and 15G256β","Journal of the American Chemical Society","2008","130","","10293","10298","10.1021/ja803445u","","","1.54184","CuKα","","0.0394","0.0283","","","0.0644","0.0675","","","","","","0.915","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108274","24.426","0.0016","17.8487","0.0011","15.1401","0.001","90","","90.036","0.001","90","","6600.7","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","MOF-118","","","- C55 H74 Cu2 N6 O17 -","- C34 H25 Cu2 N O9 -","- C136 H100 Cu8 N4 O36 -","4","1","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0885","0.0685","","","0.2005","0.2167","","","","","","1.041","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108280","37.22","0.007","37.22","0.007","43.77","0.009","90","","90.1","0.03","90","","60636","2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C433 H375 Cd12 Cl24 N109 O98 -","- C432 H371 Cd12 Cl20 N109 O82 -","- C1728 H1484 Cd48 Cl80 N436 O328 -","4","1","","Nawal K. Al-Rasbi; Ian S. Tidmarsh; Stephen P. Argent; Harry Adams; Lindsay P. Harding; Michael D. Ward","Mixed-Ligand Molecular Paneling: Dodecanuclear Cuboctahedral Coordination Cages Based on a Combination of Edge-Bridging and Face-Capping Ligands","Journal of the American Chemical Society","2008","130","","11641","11649","10.1021/ja803847w","","","0.71073","MoKα","","0.2095","0.134","","","0.3464","0.3812","","","","","","1.075","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4108302","15.725","0.009","10.569","0.006","28.364","0.016","90","","100.012","0.007","90","","4642","5","259","2","523","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H66 Br N4 O15 Pd S2 -","- C32 H66 Br N4 O15 Pd S2 -","- C128 H264 Br4 N16 O60 Pd4 S8 -","4","1","","Shinya Takaishi; Mitsuhito Takamura; Takashi Kajiwara; Masahiro Yamashita; Muneaki Iwata; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hisaaki Tanaka; Shin-ichi Kuroda; Hiroyuki Nishikawa; Hiroki Oshio; Kenichi Kato; Masaki Takata","Charge-Density-Wave to Mott-Hubbard Phase Transition in Quasi-One-Dimensional Bromo-Bridged Pd Compounds","Journal of the American Chemical Society","2008","130","","12080","12084","10.1021/ja8032026","","","0.71073","MoKα","","0.0845","0.0528","","","0.1342","0.1435","","","","","","0.979","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108310","30.029","0.0011","15.919","0.0007","19.3815","0.0006","90","","127.409","0.0017","90","","7359.3","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H24.25 Cl2 N2 O1.125 -","- C16 H24.25 Cl2 N2 O1.125 -","- C256 H388 Cl32 N32 O18 -","16","4","","Hyunwoo Kim; Yen Nguyen; Cindy Pai-Hui Yen; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereospecific Synthesis of C2 Symmetric Diamines from the Mother Diamine by Resonance-Assisted Hydrogen-Bond Directed Diaza-Cope Rearrangement","Journal of the American Chemical Society","2008","130","","12184","12191","10.1021/ja803951u","","","0.71073","MoKα","","0.1174","0.0785","","","0.202","0.232","","","","","","1.019","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108403","27.2736","0.001","6.5729","0.0002","11.141","0.0005","90","","94.704","0.002","90","","1990.48","0.13","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H20 Cl2 N O6 V -","- C15 H20 Cl2 N O6 V -","- C60 H80 Cl8 N4 O24 V4 -","4","1","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.061","0.0435","","","0.0942","0.1061","","","","","","1.061","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108406","25.21","0.0002","15.502","0.0002","38.329","0.0004","90","","103.58","","90","","14560.4","0.3","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C214 H243 Ag3 B0 Cl24 N41 O63 V15 -","- C214 H243 Ag3 Cl24 N41 O63 V15 -","- C428 H486 Ag6 Cl48 N82 O126 V30 -","2","0.5","","Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo","Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport","Journal of the American Chemical Society","2008","130","","12842","12843","10.1021/ja8051552","","","0.71073","MoKα","","0.0518","0.0439","","","0.1296","0.1394","","","","","","1.01","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108662","37.646","0.006","9.8921","0.0016","22.981","0.004","90","","106.073","0.002","90","","8224","2","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C37 H54 Cl2 Cu F6 N2 O2 Sb -","- C37 H54 Cl2 Cu F6 N2 O2 Sb -","- C296 H432 Cl16 Cu8 F48 N16 O16 Sb8 -","8","2","","Tim Storr; Pratik Verma; Russell C. Pratt; Erik C. Wasinger; Yuichi Shimazaki; T. Daniel P. Stack","Defining the Electronic and Geometric Structure of One-Electron Oxidized Copper-Bis-phenoxide Complexes","Journal of the American Chemical Society","2008","130","","15448","15459","10.1021/ja804339m","","","0.71073","MoKα","","0.0603","0.0556","","","0.1394","0.1423","","","","","","1.05","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108946","17.552","0.004","8.9917","0.0018","15.525","0.003","90","","120.61","0.03","90","","2108.8","1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 Cl N O -","- C23 H25 Cl N O -","- C92 H100 Cl4 N4 O4 -","4","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.0906","0.0516","","","0.1124","0.1303","","","","","","1.009","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108974","20.934","0.004","6.895","0.0014","12.745","0.003","90","","93.88","0.03","90","","1835.4","0.7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","K. C. Nicolaou; Scott T. Harrison","Total Synthesis of Abyssomicin C, Atrop-abyssomicin C, and Abyssomicin D: Implications for Natural Origins of Atrop-abyssomicin C","Journal of the American Chemical Society","2007","129","","429","440","10.1021/ja067083p","","","0.71073","MoKα","","0.0588","0.0462","","","0.1096","0.1169","","","","","","1.069","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108975","19.187","0.004","9.2491","0.0018","12.923","0.003","90","","101.35","0.03","90","","2248.5","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C43 H53 Cl2 O10 S4 -","- C43 H53 Cl2 O10 S4 -","- C86 H106 Cl4 O20 S8 -","2","0.5","","K. C. Nicolaou; Scott T. Harrison","Total Synthesis of Abyssomicin C, Atrop-abyssomicin C, and Abyssomicin D: Implications for Natural Origins of Atrop-abyssomicin C","Journal of the American Chemical Society","2007","129","","429","440","10.1021/ja067083p","","","0.71073","MoKα","","0.0557","0.0532","","","0.1481","0.1511","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108993","17.124","0.003","6.0143","0.0009","12.8665","0.0019","90","","90","","90","","1325.1","0.4","273","2","273","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15.5 H25.5 O3 -","- C14 H25 O3.5 -","- C56 H100 O14 -","4","1","","Michael J. Williams; Holly L. Deak; Marc L. Snapper","Intramolecular Cyclobutadiene Cycloaddition/Cyclopropanation/Thermal Rearrangement: An Effective Strategy for the Asymmetric Syntheses of Pleocarpenene and Pleocarpenone","Journal of the American Chemical Society","2007","129","","486","487","10.1021/ja0674340","","","0.71073","MoKα","","0.0408","0.0402","","","0.106","0.1069","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109081","36.257","0.007","8.2518","0.0017","21.011","0.004","90","","117.31","0.03","90","","5586","2","158","2","158","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H38 O7 -","- C29 H38 O7 -","- C232 H304 O56 -","8","2","","K. C. Nicolaou; Andrea L. Nold; Robert R. Milburn; Corinna S. Schindler; Kevin P. Cole; Junichiro Yamaguchi","Total Synthesis of Marinomycins A-C and of Their Monomeric Counterparts Monomarinomycin A and iso-Monomarinomycin A","Journal of the American Chemical Society","2007","129","","1760","1768","10.1021/ja068053p","","","0.71073","MoKα","","0.1132","0.0669","","","0.1263","0.1584","","","","","","1.039","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109428","38.367","0.014","6.363","0.003","23.663","0.009","90","","100.016","0.008","90","","5689","4","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C51 H59 N2 O10 -","- C51 H59 N2 O10 -","- C204 H236 N8 O40 -","4","1","","Scott T. Phillips; Matthew D. Shair","Syntheses of the Eastern Halves of Ritterazines B, F, G, and H, Leading to Reassignment of the 5,5-Spiroketal Stereochemistry of Ritterazines B and F","Journal of the American Chemical Society","2007","129","","6589","6598","10.1021/ja0705487","","","0.71073","MoKα","","0.1219","0.1044","","","0.2785","0.2915","","","","","","1.111","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109484","31.518","0.004","8.961","0.002","18.351","0.003","90","","105.47","0.07","90","","4995","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Boc-(Aib)3-L-Ser-(Aib)2-L-Ser-Aib-OMe [O4G-(CH2)4-O7G bridged] monohydrate","","- C40 H72 N8 O14 -","- C40 H72 N8 O14 -","- C160 H288 N32 O56 -","4","1","","Amie K. Boal; Ivan Guryanov; Alessandro Moretto; Marco Crisma; Erica L. Lanni; Claudio Toniolo; Robert H. Grubbs; Daniel J. O'Leary","Facile and E-Selective Intramolecular Ring-Closing Metathesis Reactions in 310-Helical Peptides: A 3D Structural Study","Journal of the American Chemical Society","2007","129","","6986","6987","10.1021/ja071148m","","","1.54178","CuKα","","0.0536","0.0505","","","0.1375","0.1428","","","","","","1.046","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109781","25.4534","0.0011","12.5714","0.0006","17.357","0.0008","90","","131.308","0.001","90","","4172","0.3","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H56 Cl4 N4 O8 -","- C38 H56 Cl4 N4 O8 -","- C152 H224 Cl16 N16 O32 -","4","1","","Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca","Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals","Journal of the American Chemical Society","2007","129","","10159","10170","10.1021/ja0712017","","","0.71073","MoKα","","0.0625","0.057","","","0.1617","0.1699","","","","","","1.056","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109819","19.725","0.012","7.996","0.004","13.812","0.01","90","","126.653","0.017","90","","1747.7","1.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","[bis(3,6-di-tert-butyl-o-benzosemiquinonato) (1,4-diazabicyclo(2,2,2)octane)copper(II)]","","- C34 H52 Cu N2 O4 -","- C34 H40 Cu N2 O4 -","- C68 H80 Cu2 N4 O8 -","2","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.1014","0.0654","","","0.1258","0.1405","","","","","","0.969","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109971","10.726","0.005","5.892","0.002","10.546","0.007","90","","113.55","0.007","90","","611","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid","","- C4 H5 F3 O3 -","- C4 H5 F3 O3 -","- C16 H20 F12 O12 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Manabu Yasumoto; Shekar Mekala; Jennifer S. Hirschi; Daniel A. Singleton","Phenomenon of Optical Self-Purification of Chiral Non-Racemic Compounds","Journal of the American Chemical Society","2007","129","","12112","12113","10.1021/ja065603a","","","0.71073","MoKα","","0.0502","0.0463","","","0.12","0.123","","","","","","1.007","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109981","66.456","0.006","15.6607","0.0014","32.988","0.003","90","","93.722","0.002","90","","34260","5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C119 H265.5 N10.5 O56 W15 Zr3 -","- C119 H255 N10.5 O56 W15 Zr3 -","- C952 H2040 N84 O448 W120 Zr24 -","8","2","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.69","synchrotron","","0.0763","0.0519","","","0.1111","0.1223","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109982","23.445","0.001","21.683","0.001","13.647","0.0006","90","","110.28","0.02","90","","6507.5","1","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H64 Br N O16 -","- C61 H64 Br N O16 -","- C244 H256 Br4 N4 O64 -","4","1","","Satyamaheshwar Peddibhotla; Yongjun Dang; Jun O. Liu; Daniel Romo","Simultaneous Arming and Structure/Activity Studies of Natural Products Employing O-H Insertions: An Expedient and Versatile Strategy for Natural Products-Based Chemical Genetics","Journal of the American Chemical Society","2007","129","","12222","12231","10.1021/ja0733686","","","1.54178","CuKα","","0.0605","0.0538","","","0.1435","0.149","","","","","","1.052","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4110115","22.6163","0.0005","9.1104","0.0002","15.1209","0.0003","90","","126.134","0.001","90","","2516.25","0.1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H28 Cl N O4 Si -","- C25 H28 Cl N O4 Si -","- C100 H112 Cl4 N4 O16 Si4 -","4","1","","Mary R. Garrett; James C. Tarr; Jeffrey S. Johnson","Enantioselective Metallophosphite-Catalyzed C-Acylation of Nitrones","Journal of the American Chemical Society","2007","129","","12944","12945","10.1021/ja076095n","","","0.71073","MoKα","","0.0323","0.0304","","","0.0782","0.0799","","","","","","1.042","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110145","26.085","0.005","13.16","0.002","12.889","0.002","90","","116.32","0.01","90","","3965.8","1.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H36 Mn3 Mo2 N16 O6 -","- C24 H36 Mn3 Mo2 N16 O6 -","- C96 H144 Mn12 Mo8 N64 O24 -","4","1","","Julie Milon; Marie-Christine Daniel; Abdellah Kaiba; Philippe Guionneau; Stéphane Brandès; Jean-Pascal Sutter","Nanoporous Magnets of Chiral and Racemic [{Mn(HL)}2Mn{Mo(CN)7}2] with Switchable Ordering Temperatures (TC= 85 K \λeftarrow→106 K) Driven by H2O Sorption (L = N,N-Dimethylalaninol)","Journal of the American Chemical Society","2007","129","","13872","13878","10.1021/ja073612t","","","0.71069","MoKα","","0.0337","0.0289","","","0.0688","0.0716","","","","","","1.032","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110299","30.677","0.004","11.02","0.002","38.639","0.005","90","","94.53","0.08","90","","13022","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Ac-[L-(αMe)Val]7-NHiPr 1,1,1,3,3,3-hexafluoropropan-2-ol bis-solvate","","- C106 H184 F24 N16 O20 -","- C106 H184 F24 N16 O20 -","- C424 H736 F96 N64 O80 -","4","1","","Marco Crisma; Michele Saviano; Alessandro Moretto; Quirinus B. Broxterman; Bernard Kaptein; Claudio Toniolo","Peptide α/310-Helix Dimorphism in the Crystal State","Journal of the American Chemical Society","2007","129","","15471","15473","10.1021/ja076656a","","","1.54178","CuKα","","0.174","0.0878","","","0.2153","0.2639","","","","","","0.927","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110458","17.119","0.003","11.551","0.002","14.902","0.003","90","","118.09","0.03","90","","2599.6","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.5 H21 Cl N6 Zn -","- C28.5 H21 Cl N6 Zn -","- C114 H84 Cl4 N24 Zn4 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0615","0.0506","","0.1679","0.139","","","","0.899","0.918","0.918","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110546","31.7037","0.0011","10.2735","0.0004","19.8389","0.0007","90","","100.942","0.003","90","","6344.2","0.4","223","","223","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H38 N2 O3 S Si -","- C34 H38 N2 O3 S Si -","- C272 H304 N16 O24 S8 Si8 -","8","2","","Ken Tanaka; Kenzo Takeishi; Keiichi Noguchi","Enantioselective Synthesis of Axially Chiral Anilides through Rhodium-Catalyzed [2+2+2] Cycloaddition of 1,6-Diynes with Trimethylsilylynamides","Journal of the American Chemical Society","2006","128","","4586","4587","10.1021/ja060348f","","","1.5418","CuKα","","0.0449","0.0378","","","0.102","0.1079","","","","","","1.07","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110674","18.346","0.004","8.6134","0.0016","27.741","0.006","90","","105.69","0.003","90","","4220.3","1.5","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 N2 O2 S -","- C23 H19 F3 N2 O2 S -","- C184 H152 F24 N16 O16 S8 -","8","2","","Yong-Qiang Wang; Jun Song; Ran Hong; Hongming Li; Li Deng","Asymmetric Friedel-Crafts Reaction of Indoles with Imines by an Organic Catalyst","Journal of the American Chemical Society","2006","128","","8156","8157","10.1021/ja062700v","","","0.71073","MoKα","","0.0893","0.0546","","","0.1367","0.1531","","","","","","1.035","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110745","27.444","0.004","7.3176","0.0011","11.7413","0.0018","90","","94.928","0.003","90","","2349.2","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H37 Br O2 S Si -","- C18 H37 Br O2 S Si -","- C72 H148 Br4 O8 S4 Si4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.0791","0.0481","","","0.0945","0.1028","","","","","","0.804","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110845","32.062","0.002","20.3625","0.0014","12.7065","0.0009","90","","105.372","0.002","90","","7998.8","0.9","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C16 H147 Fe6 K7 N8 O154 Si3 W30 -","- C8 H16 Fe6 K5 N4 O154 Si3 W30 -","- C16 H32 Fe12 K10 N8 O308 Si6 W60 -","2","0.5","","Bogdan Botar; Yurii V. Geletii; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Ira A. Weinstock; Craig L. Hill","The True Nature of the Di-iron(III) γ-Keggin Structure in Water: Catalytic Aerobic Oxidation and Chemistry of an Unsymmetrical Trimer","Journal of the American Chemical Society","2006","128","","11268","11277","10.1021/ja063157l","","","0.71073","MoKα","","0.089","0.0674","","","0.1289","0.1375","","","","","","1.055","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110848","36.603","0.016","12.976","0.006","25.145","0.012","90","","126.653","0.009","90","","9581","8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C160 H200 O8 P8 Pt4 -","- C160 H200 O8 P8 Pt4 -","- C320 H400 O16 P16 Pt8 -","2","0.5","","Hua Jiang; Wenbin Lin","Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage","Journal of the American Chemical Society","2006","128","","11286","11297","10.1021/ja0633013","","","0.71073","MoKα","","0.1915","0.1402","","","0.3322","0.3578","","","","","","1.125","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110977","13.1358","0.0007","14.8678","0.0007","26.791","0.007","90","","97.487","0.01","90","","5187.7","1.4","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H20 Br F3 N2 O3 -","- C30 H20 Br F3 N2 O3 -","- C240 H160 Br8 F24 N16 O24 -","8","2","","Ciby J. Abraham; Daniel H. Paull; Michael T. Scerba; James W. Grebinski; Thomas Lectka","Catalytic, Enantioselective Bifunctional Inverse Electron Demand Hetero-Diels-Alder Reactions of Ketene Enolates and o-Benzoquinone Diimides","Journal of the American Chemical Society","2006","128","","13370","13371","10.1021/ja065754d","","","0.71073","","","0.0829","0.0456","","","0.0522","0.0567","","","","","","0.911","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110992","21.28","0.009","26.196","0.009","8.466","0.003","90","","100.593","0.012","90","","4639","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H26 Br N2 O5.5 -","- C25 H26 Br N2 O5.5 -","- C200 H208 Br8 N16 O44 -","8","2","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.1231","0.1119","","","0.2853","0.2938","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111099","21.066","0.004","5.706","0.001","13.026","0.002","90","","100.106","0.003","90","","1541.5","0.5","100","1","100","1","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Gareth P. Howell; Stephen P. Fletcher; Koen Geurts; Bjorn ter Horst; Ben L. Feringa","Catalytic Asymmetric Synthesis of Acyclic Arrays by Tandem 1,4-Addition-Aldol Reactions","Journal of the American Chemical Society","2006","128","","14977","14985","10.1021/ja0651862","","","0.71073","MoKα","","0.0549","0.0481","","","0.1654","0.168","","","","","","1.302","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111117","15.8979","0.0014","5.7353","0.0007","15.816","0.0015","90","","90.979","0.006","90","","1441.9","0.3","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Ryan Hili; Andrei K. Yudin","Readily Available Unprotected Amino Aldehydes","Journal of the American Chemical Society","2006","128","","14772","14773","10.1021/ja065898s","","","0.71073","MoKα","","0.0848","0.0465","","","0.0979","0.1156","","","","","","1.043","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111272","24.886","0.003","5.6703","0.0007","7.9763","0.0011","90","","99.066","0.007","90","","1111.5","0.2","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H22 F4 O6 S2 -","- C20 H22 F4 O6 S2 -","- C40 H44 F8 O12 S4 -","2","0.5","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","0.71073","MoKα","","0.035","0.0341","","","0.0886","0.0897","","","","","","1.062","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111276","25.8069","0.0005","6.0191","0.0002","19.571","0.0005","90","","120.152","0.002","90","","2628.72","0.13","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H33 N3 O9 -","- C23 H33 N3 O9 -","- C92 H132 N12 O36 -","4","1","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0579","0.0384","","","0.0872","0.0947","","","","","","1.018","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111796","20.059","0.005","4.8678","0.0011","16.912","0.004","90","","115.89","0.004","90","","1485.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","David A. Evans; Keith R. Fandrick; Hyun-Ji Song","Enantioselective Friedel-Crafts Alkylations of α,β-Unsaturated 2-Acyl Imidazoles Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2005","127","","8942","8943","10.1021/ja052433d","","","0.71073","MoKα","","0.0824","0.0593","","","0.1188","0.1299","","","","","","1.117","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4112162","19.303","0.001","11.2246","0.0006","20.5464","0.0011","90","","92.836","0.001","90","","4446.3","0.4","123","2","123","2","","","","","","","chemical synthesis","6","C 1 2 1","C 2y","5","","Mixed-valence (4:2) Phenothiazine Hexafluorophosphate salt","","- C48 H36 F12 N4 P2 S4 -","- C48 H36 F12 N4 P2 S4 -","- C192 H144 F48 N16 P8 S16 -","4","1","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0725","0.0609","","0.1677","0.1522","","","","1.041","1.06","1.06","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112168","17.1238","0.0004","10.8439","0.0003","12.3532","0.0004","90","","127.082","0.0012","90","","1829.98","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H22 Mn3 N28 -","- C24 H22 Mn3 N28 -","- C48 H44 Mn6 N56 -","2","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0663","0.0385","","","0.0817","0.0901","","","","","","1.005","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112409","29.782","0.002","14.5982","0.0012","20.4603","0.0016","90","","90.156","0.001","90","","8895.4","1.2","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H61 Cl2 N11 O14 Pt S -","- C30 H46 Cl2 N11 O14 Pt S -","- C240 H368 Cl16 N88 O112 Pt8 S8 -","8","2","","Hemanta Baruah; Cynthia S. Day; Marcus W. Wright; Ulrich Bierbach","Metal-Intercalator-Mediated Self-Association and One-Dimensional Aggregation in the Structure of the Excised Major DNA Adduct of a Platinum-Acridine Agent","Journal of the American Chemical Society","2004","126","","4492","4493","10.1021/ja038592j","","x-ray","0.71073","MoKα","","0.0563","0.0414","","","0.0918","0.0966","","","","","","1.002","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112453","20.065","0.011","5.741","0.003","7.394","0.004","90","","96.042","0.01","90","","847","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H10 F N O4 -","- C8 H10 F N O4 -","- C32 H40 F4 N4 O16 -","4","1","","Jiangli Yan; Frank Delaglio; Andreas Kaerner; Allen D. Kline; Huaping Mo; Michael J. Shapiro; Tim A. Smitka; Gregory A. Stephenson; Edward R. Zartler","Complete Relative Stereochemistry of Multiple Stereocenters Using Only Residual Dipolar Couplings","Journal of the American Chemical Society","2004","126","","5008","5017","10.1021/ja037605q","","","0.71073","MoKα","","0.0913","0.0462","","","0.0641","0.0708","","","","","","0.818","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112527","25.251","0.003","6.856","0.001","10.484","0.001","90","","112.78","0.01","90","","1673.4","0.4","298.2","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H13 Br2 Cl -","- C18 H13 Br2 Cl -","- C72 H52 Br8 Cl4 -","4","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","1.5418","CuKα","","","0.0475","","","","0.0693","","","","","","1.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113005","39.105","0.008","5.615","0.001","16.609","0.003","90","","97.007","0.005","90","","3619.7","1.2","120","","120","","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl-3,6-anhydro-2,4-di-O-benzyl-α-D-glucopyranoside","","- C21 H24 O5 -","- C21 H24 O5 -","- C168 H192 O40 -","8","2","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.035","","","","0.036","","","","","","0.92","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113013","20.69","0.003","8.419","0.001","16.06","0.002","90","","106.887","0.002","90","","2676.8","0.6","146.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H41 Cl2 N2 O2 Rh -","- C25.5 H37 Cl2 N2 O2 Rh -","- C102 H148 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0","","","","0.03","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113105","26.777","0.012","8.697","0.004","22.295","0.01","90","","99.105","0.007","90","","5127","4","138","2","138","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H69 N4 Zr2 -","- C63 H69 N4 Zr2 -","- C252 H276 N16 Zr8 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0268","0.0251","","","0.0659","0.0673","","","","","","0.605","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113107","15.041","0.003","11.401","0.002","11.289","0.002","90","","117.92","0.03","90","","1710.5","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C37 H38 N2 Si Zr -","- C37 H38 N2 Si Zr -","- C74 H76 N4 Si2 Zr2 -","2","0.5","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0396","0.039","","","0.0891","0.0895","","","","","","1.062","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113128","25.169","0.003","15.018","0.003","19.429","0.004","90","","93.3","0.02","90","","7332","2","100","","100","","","","","","","","synthetic","5","C 1 2 1","C 2y","5","Ba@C74","endohedral Barium fullerene [74]","","- C122 H56 Ba Co N4 -","- C122 Ba Co N4 -","- C488 Ba4 Co4 N16 -","4","1","","Andreas Reich; Martin Panthöfer; Hartwig Modrow; Ulrich Wedig; Martin Jansen","The Structure of Ba@C74","Journal of the American Chemical Society","2004","126","","14428","14434","10.1021/ja0401693","","x-ray","0.643","synchrotron","","0.265","0.1309","","","0.1455","0.1862","","","","2.93","2.93","2.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113171","23.117","0.0016","13.6467","0.0009","13.206","0.0009","90","","90.396","0.002","90","","4166","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H35 N3 O -","- C21 H35 N3 O -","- C168 H280 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.1657","0.0873","","","0.149","0.1573","","","","","","1.972","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113543","27.53","0.003","12.791","0.001","7.2049","0.0006","90","","95.019","0.002","90","","2527.4","0.4","93.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H31 Br N O4 S -","- C26 H31 Br N O4 S -","- C104 H124 Br4 N4 O16 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.041","","","","0.085","","","","","","1.219","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113718","38.779","0.013","8.839","0.002","23.369","0.005","90","","104.74","0.02","90","","7747","4","293","2","293","2","","","","","","","Synthesized","4","C 1 2 1","C 2y","5","Boc-(Val-Ala-Phe-Aib)3-OMe","t-Butoxycarbonyl-valyl-alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl -alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl-alanyl-phenylalanyl- (alpha-aminoisobutyryl)-methyl ester","","- C69 H100 N12 O15 -","- C69 H69 N12 O15 -","- C276 H276 N48 O60 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","1.54178","CuKα","","0.2603","0.1022","","0.3143","0.2091","","","","1.015","1.404","1.404","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113811","29.537","0.006","13.325","0.001","12.187","0.002","90","","93.68","0.01","90","","4786.7","1.3","296.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H58 Cl3 N6 O10.5 -","- C44 H56 Cl3 N6 O10.5 -","- C176 H224 Cl12 N24 O42 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","1.5418","CuKα","","","0.066","","","","0.0639","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114011","9.5948","0.0007","8.3608","0.0006","9.6638","0.0007","90","","94.637","0.001","90","","772.69","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","potassium mercury germanium sulfide (2/3/2/8)","","- Ge2 Hg3 K2 S8 -","- Ge Hg1.5 K S4 -","- Ge4 Hg6 K4 S16 -","4","1","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0427","0.042","","","0.1108","0.1113","","","","","","0.978","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114131","46.662","0.004","24.259","0.002","45.111","0.004","90","","93.139","0.002","90","","50988","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C351.3 H555.9 Ba2 Cl12.5 N95.4 O110.1 Si16 -","- C351.32 H543.74 Ba2 Cl12.54 N95.4 O110.1 Si16 -","- C1405.28 H2174.96 Ba8 Cl50.16 N381.6 O440.4 Si64 -","4","1","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.1011","0.0872","","","0.228","0.2369","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114150","32.314","0.007","11.193","0.002","11.312","0.002","90","","108.345","0.006","90","","3883.5","1.3","213","2","213","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H19 F9 N3 O14 S3 Sc -","- C28 H19 F9 N3 O14 S3 Sc -","- C112 H76 F36 N12 O56 S12 Sc4 -","4","1","","David A. Evans; Karl A. Scheidt; Keith R. Fandrick; Hon Wai Lam; Jimmy Wu","Enantioselective Indole Friedel-Crafts Alkylations Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2003","125","","10780","10781","10.1021/ja036985c","","","0.71073","MoKα","","0.0779","0.0756","","","0.204","0.2117","","","","","","1.096","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114216","34.5261","0.0022","6.0759","0.0004","10.5382","0.0009","90","","101.678","0.0026","90","","2164.9","0.3","150","1","150","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H11 N3 -","- C19 H11 N3 -","- C114 H66 N18 -","6","1.5","","Takuya Yamamoto; Atta M. Arif; Peter J. Stang","Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants","Journal of the American Chemical Society","2003","125","","12309","12317","10.1021/ja0302984","","","0.71073","MoKα","","0.1101","0.0663","","","0.14","0.1582","","","","","","1.129","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114290","23.625","0.004","10.4889","0.0015","10.5495","0.0015","90","","101.302","0.005","90","","2563.5","0.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 Cu N2 O6 -","- C27 H29 Cu N2 O6.5 -","- C108 H116 Cu4 N8 O26 -","4","1","","David A. Evans; Daniel Seidel; Magnus Rueping; Hon Wai Lam; Jared T. Shaw; C. Wade Downey","A New Copper Acetate-Bis(oxazoline)-Catalyzed, Enantioselective Henry Reaction","Journal of the American Chemical Society","2003","125","","12692","12693","10.1021/ja0373871","","","0.71073","MoKα","","0.04","0.0336","","","0.0785","0.0808","","","","","","0.938","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114292","26.58","0.02","12.026","0.004","22","0.01","90","","127.48","0.01","90","","5581","5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C53 H76 N4 O10 S4 -","- C53 H76 N4 O10 S4 -","- C212 H304 N16 O40 S16 -","4","1","","Stefan Koep; Hans-Joachim Gais; Gerhard Raabe","Asymmetric Synthesis of Unsaturated, Fused Bicyclic Proline Analogues through Amino Alkylation of Cyclic Bis(allylsulfoximine)titanium Complexes and Migratory Cyclization of δ-Amino Alkenyl Aminosulfoxonium Salts","Journal of the American Chemical Society","2003","125","","13243","13251","10.1021/ja030324y","","","1.54179","CuKα","","0.059","0.057","","0.145","","0.144","","","1.099","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4114309","16.313","0.0015","9.8226","0.0009","9.3062","0.0009","90","","97.01","0.002","90","","1480","0.2","300","2","300","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H36 Cu2 F12 N6 O4 P2 -","- C16 H36 Cu2 F12 N6 O4 P2 -","- C32 H72 Cu4 F24 N12 O8 P4 -","2","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0523","0.0479","","","0.1368","0.1433","","","","","","1.037","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114341","24.519","0.006","9.344","0.002","19.291","0.005","90","0.004","122.694","0.003","90","0.004","3719.5","1.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H70 Li2 N4 -","- C38 H70 Li2 N4 -","- C152 H280 Li8 N16 -","4","1","","Carsten Strohmann; Katja Strohfeldt; Daniel Schildbach","The Crystal Structures of the Chiral Alkyllithium Bases [n-BuLi.(-)-Sparteine]2 and [Et2O.(i-PrLi)2.(-)-Sparteine]","Journal of the American Chemical Society","2003","125","","13672","13673","10.1021/ja0374372","","","0.71073","MoKα","","0.069","0.0584","","","0.1568","0.1639","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114626","17.988","0.002","7.0987","0.0008","17.823","0.002","90","","109.749","0.008","90","","2142","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H23 Cl2 N O -","- C24 H23 Cl2 N O -","- C96 H92 Cl8 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0573","0.0517","","","0.1257","0.1278","","","","","","1.031","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114751","20.234","0.007","6.105","0.002","20.553","0.008","90","","109.701","0.007","90","","2390.3","1.5","213","2","213","2","","","","","","","","3","C 1 2 1","C 2y","5","(-)-terpestacin","","","- C25 H38 O4 -","- C25 H38 O4 -","- C100 H152 O16 -","4","1","","Andrew G. Myers; Michael Siu; Feng Ren","Enantioselective Synthesis of (-)-Terpestacin and (-)-Fusaproliferin: Clarification of Optical Rotational Measurements and Absolute Configurational Assignments Establishes a Homochiral Structural Series","Journal of the American Chemical Society","2002","124","","4230","4232","10.1021/ja020072l","","","0.71073","MoKα","","0.0772","0.0612","","","0.1513","0.1611","","","","","","1.014","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114855","19.847","0.004","14.801","0.003","6.867","0.0014","90","","94.35","0.03","90","","2011.4","0.7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H12 F3 N3 O3 Pt S -","- C20 H12 F3 N3 O3 Pt S -","- C80 H48 F12 N12 O12 Pt4 S4 -","4","1","","Vivian Wing-Wah Yam; Keith Man-Chung Wong; Nianyong Zhu","Solvent-Induced Aggregation through Metal...Metal/π...π Interactions: Large Solvatochromism of Luminescent Organoplatinum(II) Terpyridyl Complexes","Journal of the American Chemical Society","2002","124","","6506","6507","10.1021/ja025811c","","","0.71073","MoKα","","0.1067","0.0896","","","0.2463","0.2597","","","","","","1.07","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4115101","21.277","0.001","7.3744","0.0004","10.5498","0.0006","90","","94.884","0.002","90","","1649.31","0.15","160","1","160","1","","","","","","","","3","C 1 2 1","C 2y","5","","(1R)-2-exo-[(1S,2R,3S,4R)-3-methyl-bicyclo[2.2.1]hept-5-en-2- ylcarbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Ainara Lecumberri; Anthony Linden","A Chiral Acrylate Equivalent for Metal-Free Diels-Alder Reactions: endo-2-Acryloylisoborneol","Journal of the American Chemical Society","2002","124","","10288","10289","10.1021/ja025906e","","","0.71073","MoKα","","0.0754","0.0457","","0.0466","0.043","0.043","","","1.551","","","1.684","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115154","13.514","0.006","4.7974","0.0019","21.238","0.01","90","","97.137","0.007","90","","1366.2","1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","N-cinnamoyl alanine amide","(S)-Valine-N-[(2E)-1-oxo-3-phenyl-2-propenyl) amide","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.0648","0.04","","","0.0805","0.1031","","","","","","1.128","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115217","10.2588","0.0001","19.7015","0.0001","34.9512","0.0003","90","","93.3665","0.0004","90","","7051.93","0.1","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","bis-ethylene-dithiotetrathiafulvalene pyridine gallium salt","","- C52 H24 Ga O13 S32 -","- C52 H24 Ga O13 S32 -","- C208 H96 Ga4 O52 S128 -","4","1","","Hiroki Akutsu; Akane Akutsu-Sato; Scott S. Turner; Delphine Le Pevelen; Peter Day; Vladimir Laukhin; Anne-Katrin Klehe; John Singleton; Derek A. Tocher; Michael R. Probert; Judith A. K. Howard","Effect of Included Guest Molecules on the Normal State Conductivity and Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine, Nitrobenzene)","Journal of the American Chemical Society","2002","124","","12430","12431","10.1021/ja0273849","","","0.71073","MoKα","","","0.055","","","","0.0506","","","","","","1.1752","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115224","14.771","0.003","5.0353","0.0008","26.11","0.004","90","","98.8","0.005","90","","1919.1","0.6","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H23 Br N O4 -","- C19 H19 Br N O4 -","- C76 H76 Br4 N4 O16 -","4","1","","Douglass F. Taber; Timothy D. Neubert; Arnold L. Rheingold","Synthesis of (-)-Morphine","Journal of the American Chemical Society","2002","124","","12416","12417","10.1021/ja027882h","","","0.71073","MoKα","","0.0716","0.0553","","","0.1298","0.1357","","","","","","0.949","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115322","52.243","0.004","13.0264","0.0009","18.3017","0.0013","90","","100.512","0.001","90","","12246","1.5","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H36 Mo N P3 -","- C21 H35.8 Mo N P3 -","- C420 H716 Mo20 N20 P60 -","20","5","","Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin","The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation","Journal of the American Chemical Society","2002","124","","13658","13659","10.1021/ja028512w","","","0.71073","MoKα","","0.218","0.06","","","0.0676","0.0924","","","","","","0.874","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115351","32.758","0.003","10.7326","0.0009","20.0076","0.0016","90","","121.888","0.001","90","","5972.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C98 H143 Cl3 Nd2 O50 P6 -","- C98 H114 Cl2.5 Nd2 O46 P6 -","- C196 H228 Cl5 Nd4 O92 P12 -","2","0.5","","Helen L. Ngo; Wenbin Lin","Chiral Crown Ether Pillared Lamellar Lanthanide Phosphonates","Journal of the American Chemical Society","2002","124","","14298","14299","10.1021/ja027892i","","","0.71073","MoKα","","0.1581","0.0841","","","0.2081","0.2525","","","","","","1.032","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115711","17.0995","0.0015","10.184","0.0009","11.995","0.0011","90","","98.686","0.002","90","","2064.9","0.3","110","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H24 Fe2 O4 P2 S2 -","- C12.93 H18 Fe2 O4 P2 S2 -","- C51.72 H72 Fe8 O16 P8 S8 -","4","1","","Xuan Zhao; Irene P. Georgakaki; Matthew L. Miller; Jason C. Yarbrough; Marcetta Y. Darensbourg","H/D Exchange Reactions in Dinuclear Iron Thiolates as Activity Assay Models of Fe-H2ase","Journal of the American Chemical Society","2001","123","","9710","9711","10.1021/ja0167046","","","0.71073","MoKα","","0.0636","0.0584","","","0.1538","0.1609","","","","","","1.103","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115769","24.378","0.012","12.601","0.004","12.28","0.007","90","","113.7","0.05","90","","3454","3","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C64 H84 Cl7 Co N6 O12 -","- C64 H84 Cl7 Co N6 O12 -","- C128 H168 Cl14 Co2 N12 O24 -","2","0.5","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.0887","0.0506","","","0.1094","0.1266","","","","","","0.899","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115835","11.65","0.003","10.091","0.002","15.094","0.003","90","","104.271","0.005","90","","1719.7","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","Cobalt(III)hexaammineironpentacyanidecarbonyl","","- C6 H24 Co Fe N11 O4 -","- C6 H18 Co Fe N11 O4 -","- C24 H72 Co4 Fe4 N44 O16 -","4","1","","Jianfeng Jiang; Andrew Acunzo; Stephen A. Koch","Chemistry of [FeII(CN)5(CO)]3- New Observations for a 19th Century Compound","Journal of the American Chemical Society","2001","123","","12109","12110","10.1021/ja016434r","","","0.71073","MoKα","","0.1404","0.058","","","0.1231","0.1493","","","","","","0.795","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115971","18.158","0.003","9.0659","0.0013","9.6297","0.0011","90","","92.14","0.01","90","","1584.1","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","tetranaphthalene acetonitrile solvent","","- C42 H27 N -","- C42 H24 N -","- C84 H48 N2 -","2","0.5","","Andrzej Rajca; Andrej Safronov; Suchada Rajca; Jirawat Wongsriratanakul","D2-Symmetric Dimer of 1,1'-Binaphthyl and Its Chiral π-Conjugated Carbodianion","Journal of the American Chemical Society","2000","122","","3351","3357","10.1021/ja993286k","","","0.71073","MoKα","","0.0662","0.0456","","","0.1183","0.1318","","","","","","1.012","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116031","17.988","0.002","7.0987","0.0008","17.823","0.002","90","","109.749","0.008","90","","2142","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H23 Cl2 N O -","- C24 H23 Cl2 N O -","- C96 H92 Cl8 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0573","0.0517","","","0.1257","0.1278","","","","","","1.031","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116114","19.67","0.009","8.913","0.003","9.469","0.004","90","","96.66","0.01","90","","1648.9","1.2","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H30 Fe2 N6 O11 -","- C30 H30 Fe2 N6 O11 -","- C60 H60 Fe4 N12 O22 -","2","0.5","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.023","0.022","","0.0584","0.0577","","","","1.04","1.041","1.041","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116129","35.2023","0.0019","6.0715","0.0004","10.471","0.0009","90","","101.414","0.006","90","","2193.7","0.3","571","2","571","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C84 H124 N4 O16 -","4","1","","James D. White; Jungchul Kim; Nicholas E. Drapela","Enantiospecific Synthesis of (+)-Byssochlamic Acid, a Nonadride from the Ascomycete Byssochlamysfulva","Journal of the American Chemical Society","2000","122","","8665","8671","10.1021/ja001898v","","","1.54178","CuKα","","0.0502","0.044","","","0.1145","0.1238","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116160","19.4947","0.0001","5.8781","0.0002","17.7056","0.0006","90","","111.701","0.002","90","","1885.12","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H24 O5 S -","- C18 H24 O5 S -","- C72 H96 O20 S4 -","4","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.0724","0.0615","","","0.1416","0.1447","","","","","","0.975","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116256","12.8866","0.0003","15.9008","0.0003","12.1765","0.0003","90","","121.535","0.001","90","","2126.59","0.09","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H48 B2 F8 N2 P2 Pt -","- C44 H48 B2 F8 N2 P2 Pt -","- C88 H96 B4 F16 N4 P4 Pt2 -","2","0.5","","Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten","Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions","Journal of the American Chemical Society","2000","122","","11822","11833","10.1021/ja001808m","","","0.71073","MoKα","","0.0278","0.0278","","","0.0703","0.0703","","","","","","1.042","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116351","31.019","0.012","7.1857","0.0012","8.103","0.003","90","","96.038","0.017","90","","1796.1","1","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H24 K2 Mn3 Mo2 N14 O12 -","- C14 K2 Mn3 Mo2 N14 O12 -","- C28 K4 Mn6 Mo4 N28 O24 -","2","0.5","","Joulia Larionova; Olivier Kahn; Stéphane Gohlen; Lahcène Ouahab; Rodolphe Clérac","Structure, Ferromagnetic Ordering, Anisotropy, and Spin Reorientation for the Two-Dimensional Cyano-Bridged Bimetallic Compound K2Mn3(H2O)6[Mo(CN)7]2.6H2O","Journal of the American Chemical Society","1999","121","","3349","3356","10.1021/ja9832717","","","0.71073","MoKα","","0.1489","0.0573","","","0.1218","0.1419","","","","","","1.116","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116414","28.074","0.005","11.287","0.001","23.654","0.003","90","0.01","117.1","0.01","90","0.01","6672.4","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H74 N9 O12 -","- C43 H75 N9 O13 -","- C172 H300 N36 O52 -","4","1","","M. Dhanasekaran; F. Fabiola; V. Pattabhi; S. Durani","A Rationally Designed Turn-Helix Peptide","Journal of the American Chemical Society","1999","121","","5575","5576","10.1021/ja984237v","","","1.5418","CuKa","","0.1793","0.0988","","0.4641","0.2496","","","","1.136","1.076","1.076","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116449","17.0767","0.0003","9.1342","0.0003","16.3666","0.0005","90","","101.481","0.0016","90","","2501.81","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H34 N8 Ni O8 -","- C21 H28 N8 Ni O8 -","- C84 H112 N32 Ni4 O32 -","4","1","","Ann J. Stemmler; Cynthia J. Burrows","The Sal-XH Motif for Metal-Mediated Oxidative DNA-Peptide Cross-Linking","Journal of the American Chemical Society","1999","121","","6956","6957","10.1021/ja991164m","","","0.71069","MoKα","","0.0339","0.0334","","","0.0969","0.0974","","","","","","1.089","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116491","20.966","0.002","11.314","0.001","16.582","0.002","90","","120.944","0.002","90","","3373.6","0.6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H34 Cd Cl2 N6 O8 Pt -","- C23 H34 Cd Cl2 N6 O9 Pt -","- C92 H136 Cd4 Cl8 N24 O36 Pt4 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","The First Examples of Platinum(II)-Cadmium(II) Bonds: The Role of Strong Field Ligands in Making Dative Pt\ρightarrowM Bonds","Journal of the American Chemical Society","1999","121","","7405","7406","10.1021/ja991053n","","","0.7107","MoKα","","0.0615","0.0373","","","","0.0876","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116622","21.598","0.006","6.139","0.002","21.58","0.02","90","","112.02","0.05","90","","2653","3","197.2","","197.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata","Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates","Journal of the American Chemical Society","1999","121","","11122","11129","10.1021/ja992558g","","","0.7107","MoKα","","0.1166","0.1166","","","0.2975","0.2975","","","","","","1.248","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117112","36.356","0.013","19.737","0.004","28.161","0.011","90","","129.07","0.02","90","","15688","10","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","L-Ala DPDPE","Tyr-cyclo[D-Pen-Ala-Phe-D-Pen]","","- C124 H202 N20 O48.5 S8 -","- C124 H164 N20 O49.025 S8 -","- C496 H656 N80 O196.1 S32 -","4","1","","Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin Kövér; Victor J. Hruby","Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE","Journal of the American Chemical Society","1996","118","","2143","2152","10.1021/ja9531081","","","1.54178","CuKα","","0.1451","0.0983","","0.2865","0.2315","","","","1.098","1.157","1.157","","","","","has coordinates,has Fobs","178942","2020-10-21","18:00:00",""
"4117235","16.901","0.003","9.2889","0.0019","19.688","0.004","90","","106.99","0.03","90","","2956","1.1","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C128 H152 N8 O16 S8 -","8","2","","Mu Lin; Guan-Yu Kang; Yi-An Guo; Zhi-Xiang Yu","Asymmetric Rh(I)-Catalyzed Intramolecular [3 + 2] Cycloaddition of 1-Yne-vinylcyclopropanes for Bicyclo[3.3.0] Compounds with a Chiral Quaternary Carbon Stereocenter and Density Functional Theory Study of the Origins of Enantioselectivity","Journal of the American Chemical Society","2012","134","","398","405","10.1021/ja2082119","","","0.71073","MoKα","","0.0568","0.0531","","","0.1308","0.1336","","","","","","1.09","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117321","16.2335","0.0003","20.7081","0.0004","18.2329","0.0004","90","","98.435","0.007","90","","6063","0.2","153","","153","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61 H51 F12 I N2 O -","- C61 H51 F12 I N2 O -","- C244 H204 F48 I4 N8 O4 -","4","1","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.1197","","","","0.3059","","","","","","0.967","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117364","20.744","0.004","7.7389","0.0015","12.557","0.003","90","","97.41","0.03","90","","1999","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 N2 O9 -","- C21 H23 N2 O9 -","- C84 H92 N8 O36 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0724","0.0475","","","0.057","0.0586","","","","","","2.523","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117585","19.543","0.002","7.6021","0.0009","19.03","0.003","90","","117.214","0.005","90","","2514.3","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H33 N O3 S Si -","- C25 H33 N O3 S Si -","- C100 H132 N4 O12 S4 Si4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0604","0.0443","","","0.1052","0.1165","","","","","","1.033","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117595","19.5652","0.001","8.0489","0.0005","10.2863","0.0006","90","","92.028","0.002","90","","1618.85","0.16","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H46 N4 O7 -","- C38 H46 N4 O7 -","- C76 H92 N8 O14 -","2","0.5","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0366","0.0326","","","0.0811","0.0833","","","","","","1.003","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117936","14.43","0.003","40.91","0.009","30.645","0.006","90","","101.996","0.003","90","","17696","6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132 H172 Cd4 N12 Ni4 O32 -","- C132 H162 Cd4 N12 Ni4 O32 -","- C528 H648 Cd16 N48 Ni16 O128 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","0.71073","MoKα","","0.1838","0.1072","","","0.2559","0.3104","","","","","","0.996","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117937","14.2697","0.0009","40.363","0.003","30.931","0.002","90","","102.623","0.005","90","","17385","2","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C140 H176 Cd4 Co4 N12 O36 -","- C140 H157 Cd4 Co4 N12 O36 -","- C560 H628 Cd16 Co16 N48 O144 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","1.54178","CuKα","","0.1459","0.1294","","","0.3254","0.3375","","","","","","1.065","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117960","45.7446","0.0011","31.0966","0.0005","45.7325","0.0011","90","","92.945","0.002","90","","64969","2","100","2","100","1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C1970 H1344 Eu56 F150 N288 O438 S50 -","8","2","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.70093","synchrotron","","0.1119","0.0975","","","0.2698","0.2913","","","","","","1.013","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117964","40.537","0.003","10.192","0.0008","18.2312","0.0013","90","","95.188","0.002","90","","7501.4","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H52 Cd3 Cu N6 O16 -","- C52 H52 Cd3 Cu N6 O16 -","- C208 H208 Cd12 Cu4 N24 O64 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0891","0.0673","","","0.1795","0.1965","","","","","","1.024","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4118008","43.6263","0.0018","13.234","0.0007","13.8249","0.0007","90","","108.465","0.003","90","","7570.9","0.6","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H24 Cd2 O12 -","- C48 H24 Cd2 O12 -","- C192 H96 Cd8 O48 -","4","1","","Marcela M. Wanderley; Cheng Wang; Chuan-De Wu; Wenbin Lin","A Chiral Porous Metal-Organic Framework for Highly Sensitive and Enantioselective Fluorescence Sensing of Amino Alcohols","Journal of the American Chemical Society","2012","134","","9050","9053","10.1021/ja302110d","","","0.71073","MoKα","","0.1866","0.1242","","","0.2607","0.2828","","","","","","0.866","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118285","17.1127","0.0006","9.514","0.0004","10.5373","0.0004","90","","101.631","0.002","90","","1680.35","0.11","240","2","240","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 F5 N2 O2.5 -","- C15 H18 F5 N2 O2.5 -","- C60 H72 F20 N8 O10 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0484","0.0429","","","0.11","0.1162","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118340","26.6846","0.0004","8.3813","0.0001","6.9691","0.0001","90","","90.241","0.001","90","","1558.64","0.04","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Maitane Fernández; Uxue Uria; Jose L. Vicario; Efraím Reyes; Luisa Carrillo","Enantioselective Conjugate Addition of Donor-Acceptor Hydrazones to α,β-Unsaturated Aldehydes through Formal Diaza-Ene Reaction: Access to 1,4-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","11872","11875","10.1021/ja3041042","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.1019","0.1034","","","","","","1.057","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118391","18.3125","0.0017","7.4191","0.0006","24.023","0.002","90","","103.336","0.002","90","","3175.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C21 H26 -","- C21 H26 -","- C168 H208 -","8","2","","Karavadhi Surendra; E. J. Corey","Highly Enantioselective Proton-Initiated Polycyclization of Polyenes","Journal of the American Chemical Society","2012","134","","11992","11994","10.1021/ja305851h","","","0.41328","synchrotron","","0.0936","0.0518","","","0.111","0.1462","","","","","","1.08","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118427","23.6367","0.0008","4.8124","0.0002","16.9657","0.0006","90","","118.196","0.003","90","","1700.83","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0409","0.0331","","","0.0702","0.0736","","","","","","1.045","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118498","19.8802","0.0012","6.2307","0.0004","12.7748","0.0008","90","","95.433","0.004","90","","1575.27","0.17","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H16 Br N O4 -","- C17 H16 Br N O4 -","- C68 H64 Br4 N4 O16 -","4","1","","Carolyn A. Leverett; Vikram C. Purohit; Alex G. Johnson; Rebecca L. Davis; Dean J. Tantillo; Daniel Romo","Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone","Journal of the American Chemical Society","2012","134","","13348","13356","10.1021/ja303414a","","","1.54178","CuKα","","0.0316","0.0302","","","0.074","0.0747","","","","","","1.009","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118616","24.467","0.0011","7.0733","0.0003","15.2093","0.0007","90","","122.791","0.002","90","","2212.73","0.18","100","","100","","","","","","","","pentane/dichloromethane/acetonitrile","5","C 1 2 1","C 2y","5","","(3,5-dinitro)-(3-(2,2-dimethylvinyl)-4,6-dimethoxy-2,3-dihydroindolyl)methanone","","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","1","0.25","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0625","0.0614","","","0.1696","0.1712","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118713","33.6487","0.0007","15.2675","0.0003","20.9931","0.0004","90","","119.316","0.001","90","","9403.6","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C151 H154 Co6 N50 O30 W4 -","- C151 H154 Co6 N50 O30 W4 -","- C302 H308 Co12 N100 O60 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0546","0.0444","","","0.0853","0.0888","","","","","","1.074","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118714","33.6237","0.0008","15.257","0.0004","21.0243","0.0005","90","","119.317","0.001","90","","9404","0.4","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C152 H154 Co6 N50 O31 W4 -","- C152 H154 Co6 N50 O31 W4 -","- C304 H308 Co12 N100 O62 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0709","0.0493","","","0.0939","0.1022","","","","","","1.023","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118719","19.948","0.019","5.519","0.005","20.221","0.019","90","","118.718","0.007","90","","1952","3","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N O -","- C27 H19 N O -","- C108 H76 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0545","0.0385","","","0.0806","0.0841","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118784","23.0261","0.0018","7.022","0.0006","10.1269","0.0008","90","","102.844","0.001","90","","1596.4","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0459","0.0384","","","0.0943","0.1019","","","","","","1.07","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118786","18.482","0.002","5.4608","0.0005","11.513","0.0009","90","","101.623","0.009","90","","1138.14","0.19","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H13 Br O2 -","- C12 H13 Br O2 -","- C48 H52 Br4 O8 -","4","1","","Lin Zhou; Xiaohua Liu; Jie Ji; Yuheng Zhang; Xiaolei Hu; Lili Lin; Xiaoming Feng","Enantioselective Baeyer-Villiger Oxidation: Desymmetrization of Meso Cyclic Ketones and Kinetic Resolution of Racemic 2-Arylcyclohexanones","Journal of the American Chemical Society","2012","134","","17023","17026","10.1021/ja309262f","","","0.7107","MoKα","","0.0584","0.0394","","","0.0658","0.073","","","","","","1.037","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118796","23.318","0.004","7.5855","0.0007","10.579","0.0013","90","","101.398","0.013","90","","1834.3","0.4","144.9","","144.9","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H21 Br O4 -","- C20 H21 Br O4 -","- C80 H84 Br4 O16 -","4","1","","Ke Zheng; Xiaohua Liu; Song Qin; Mingsheng Xie; Lili Lin; Changwei Hu; Xiaoming Feng","Completely OH-Selective FeCl3-Catalyzed Prins Cyclization: Highly Stereoselective Synthesis of 4-OH-Tetrahydropyrans","Journal of the American Chemical Society","2012","134","","17564","17573","10.1021/ja3062002","","","0.7107","MoKα","","0.0469","0.0391","","","0.0614","0.0667","","","","","","1.009","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118824","21.273","0.0003","11.9713","0.0002","17.7886","0.0002","90","","99.588","0.001","90","","4466.86","0.11","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C43 H46 O10 -","- C43 H46 O10 -","- C172 H184 O40 -","4","1","","Nathan L. Strutt; David Fairen-Jimenez; Julien Iehl; Marianne B. Lalonde; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp; J. Fraser Stoddart","Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","17436","17439","10.1021/ja3082523","","","1.54178","CuKα","","0.0684","0.0645","","","0.2009","0.2036","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118941","16.825","0.003","8.4463","0.0015","8.3432","0.0014","90","","97.942","0.004","90","","1174.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C13 H10 N O2 P -","- C13 H10 N O2 P -","- C52 H40 N4 O8 P4 -","4","1","","Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz","Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction","Journal of the American Chemical Society","2012","134","","19504","19507","10.1021/ja307330c","","x-ray","0.71073","MoKα","","0.0667","0.0517","","","0.1208","0.146","","","","","","1.012","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119027","13.0071","0.0007","6.7819","0.0004","22.038","0.0015","90","","93.132","0.002","90","","1941.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34 O2 -","- C24 H34 O2 -","- C96 H136 O8 -","4","1","","Michael A. Schafroth; David Sarlah; Simon Krautwald; Erick M. Carreira","Iridium-Catalyzed Enantioselective Polyene Cyclization","Journal of the American Chemical Society","2012","134","","20276","20278","10.1021/ja310386m","","","0.71073","MoKα","","0.0426","0.0364","","","0.0867","0.0906","","","","","","1.132","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119594","26.5023","0.0006","9.8829","0.0002","15.6531","0.0004","90","","106.367","0.001","90","","3933.71","0.16","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H57 Br N3 O3 S -","- C36 H56 Br N3 O3 S -","- C144 H224 Br4 N12 O12 S4 -","4","1","","Jonathan T. Reeves; Zhulin Tan; Melissa A. Herbage; Zhengxu S. Han; Maurice A. Marsini; Zhibin Li; Guisheng Li; Yibo Xu; Keith R. Fandrick; Nina C. Gonnella; Scot Campbell; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Carbamoyl Anion Addition to N-Sulfinyl Imines: Highly Diastereoselective Synthesis of α-Amino Amides","Journal of the American Chemical Society","2013","135","","5565","5568","10.1021/ja402647m","","","1.54178","CuKα","","0.0707","0.0691","","","0.2031","0.2053","","","","","","1.017","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119799","17.5766","0.0003","17.1387","0.0002","12.8097","0.0002","90","","95.836","0.002","90","","3838.79","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C64 H52 Co4 N20 O24.67 -","- C64 H52 Co4 N20 O24.66 -","- C128 H104 Co8 N40 O49.32 -","2","0.5","","Yue-Qiao Hu; Ming-Hua Zeng; Kun Zhang; Sheng Hu; Fu-Fang Zhou; Mohamedally Kurmoo","Tracking the Formation of a Polynuclear Co16 Complex and Its Elimination and Substitution Reactions by Mass Spectroscopy and Crystallography","Journal of the American Chemical Society","2013","135","","7901","7908","10.1021/ja3123784","","","0.71073","MoKα","","0.0395","0.0347","","","0.0931","0.0981","","","","","","1.081","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4120095","25.266","0.003","11.4902","0.0012","22.88","0.002","90","","90.492","0.002","90","","6642.1","1.2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38 H52 B N11 Ni O42 W12 -","- C38 H48 B N11 Ni O42.5 W12 -","- C152 H192 B4 N44 Ni4 O170 W48 -","4","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.0504","0.038","","","0.0751","0.0792","","","","","","1.021","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120096","25.187","0.004","11.4826","0.0017","22.862","0.004","90","","90.373","0.003","90","","6611.8","1.8","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38 H52 B N11 Ni O42 W12 -","- C38 H48 B N11 Ni O42 W12 -","- C152 H192 B4 N44 Ni4 O168 W48 -","4","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.069","0.049","","","0.098","0.1073","","","","","","1.003","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120466","19.268","0.0014","9.7295","0.0006","13.1749","0.001","90","","110.476","0.002","90","","2313.8","0.3","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H25 Cl N2 O2.5 -","- C27.5 H25 Cl N2 O2.5 -","- C110 H100 Cl4 N8 O10 -","4","1","","Wang, Ming; Huang, Zhijian; Xu, Jianfeng; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed [3+4] cycloaddition and kinetic resolution of azomethine imines.","Journal of the American Chemical Society","2014","136","4","1214","1217","10.1021/ja411110f","","","0.71073","MoKα","","0.0636","0.0513","","","0.1175","0.1258","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120750","32.3325","0.0003","16.0148","0.0001","17.1142","0.0002","90","","116.831","0.001","90","","7907.67","0.15","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C156 H195.67 Au4 Cl5.58 I1.58 N24 O1.83 -","- C156 H194 Au4 Cl5.583 I1.583 N24 O1.834 -","- C312 H388 Au8 Cl11.166 I3.166 N48 O3.668 -","2","0.5","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0266","0.025","","","0.0668","0.0679","","","","","","1.04","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120868","23.627","0.003","10.1407","0.0013","14.3387","0.0018","90","","108.013","0.002","90","","3267.1","0.7","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","eiszh13","","","- C30 H44 N6 Ni S3 -","- C30 H44 N6 Ni S3 -","- C120 H176 N24 Ni4 S12 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.094","0.0518","","","0.0873","0.1023","","","","","","0.949","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120910","18.4571","0.0012","9.9004","0.0006","10.548","0.0007","90","","101.24","0.004","90","","1890.5","0.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17.8 H20.83 I1.03 N2 O Pd -","- C17.7954 H20.8295 I1.0341 N2 O Pd -","- C71.1816 H83.318 I4.1364 N8 O4 Pd4 -","4","1","","Jeffrey C. Holder; Lufeng Zou; Alexander N. Marziale; Peng Liu; Yu Lan; Michele Gatti; Kotaro Kikushima; K. N. Houk; Brian M. Stoltz","Mechanism and Enantioselectivity in Palladium-Catalyzed Conjugate Addition of Arylboronic Acids to β-Substituted Cyclic Enones: Insights from Computation and Experiment","Journal of the American Chemical Society","2013","135","","14996","15007","10.1021/ja401713g","","","0.71073","MoKα","","0.0269","0.0226","","","0.0403","0.0414","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120996","29.75","0.003","9.313","0.0008","15.7483","0.0014","90","","102.096","0.001","90","","4266.4","0.7","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H36 N8 O16 S2 Zn2 -","- C24 H36 N8 O16 S2 Zn2 -","- C96 H144 N32 O64 S8 Zn8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0354","0.033","","","0.083","0.084","","","","","","1.027","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120997","29.744","0.003","9.3103","0.0008","15.7335","0.0014","90","","102.302","0.001","90","","4257","0.7","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 N8 O15 S2 Zn2 -","- C24 H34 N8 O15 S2 Zn2 -","- C96 H136 N32 O60 S8 Zn8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0347","0.032","","","0.0809","0.082","","","","","","1.042","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120998","29.881","0.004","9.3128","0.0013","15.675","0.002","90","","102.553","0.002","90","","4257.7","1","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 Co2 N8 O15 S2 -","- C24 H34 Co2 N8 O15 S2 -","- C96 H136 Co8 N32 O60 S8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0425","0.04","","","0.0991","0.1005","","","","","","1.023","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120999","29.845","0.002","9.286","0.0007","15.6556","0.0011","90","","102.099","0.001","90","","4242.4","0.5","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 Co2 N8 O15 S2 -","- C24 H34 Co2 N8 O15 S2 -","- C96 H136 Co8 N32 O60 S8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0314","0.0301","","","0.0766","0.0773","","","","","","1.046","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121347","21.2574","0.0016","15.4522","0.0011","22.0986","0.0016","90","","117.814","0.003","90","","6420.2","0.8","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Ce Li3 N6 O6 -","- C72 H72 Ce Li3 N6 O6 -","- C288 H288 Ce4 Li12 N24 O24 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0651","0.0597","","","0.1628","0.1658","","","","","","1.085","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121409","17.0963","0.0003","19.9054","0.0003","14.0678","0.0002","90","","95.978","0.001","90","","4761.36","0.13","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C208.8 H131.2 N13.6 O49.6 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0594","0.0408","","","0.0889","0.0968","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121410","17.1323","0.0014","19.8444","0.0016","14.0625","0.0012","90","","96.159","0.001","90","","4753.4","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C207.84 H128.96 N13.28 O49.28 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0795","0.0504","","","0.1136","0.1255","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121423","32.495","0.004","7.4802","0.0009","17.551","0.002","90","","105.813","0.002","90","","4104.7","0.8","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H22 F3 N O -","- C25 H22 F3 N O -","- C200 H176 F24 N8 O8 -","8","2","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0596","0.0446","","","0.0948","0.102","","","","","","1.038","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121571","16.777","0.006","15.082","0.005","15.6","0.006","90","","110.639","0.006","90","","3694","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 F O -","- C24 H23 F O -","- C192 H184 F8 O8 -","8","2","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.112","0.0797","","","0.1624","0.1746","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121572","23.9583","0.0004","5.7432","0.0001","11.8825","0.0008","90","","98.352","0.007","90","","1617.66","0.12","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.044","0.0427","","","0.1153","0.1173","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121665","21.972","0.004","5.2014","0.001","12.991","0.002","90","","117.393","0.003","90","","1318.2","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0273","0.0265","","","0.0681","0.0688","","","","","","1.037","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121760","21.768","0.004","13.498","0.003","17.57","0.004","90","","98.24","0.03","90","","5109.2","1.9","190","2","190","2","","","","","","","","7","C 1 2 1","C 2y","5","","bis(mu2-3,4-diphenylcyclobutane-1,2-bis(4-pyridyl)- N,N')-bis(trifluoromethanesulfonate-O)-di-silver(I)","","- C54 H44 Ag2 F6 N4 O6 S2 -","- C53.99 H44 Ag2 F5.97 N4 O5.97 S1.99 -","- C215.96 H176 Ag8 F23.88 N16 O23.88 S7.96 -","4","1","","Hutchins, Kristin M.; Rupasinghe, Thilini P.; Ditzler, Lindsay R.; Swenson, Dale C.; Sander, John R. G.; Baltrusaitis, Jonas; Tivanski, Alexei V.; MacGillivray, Leonard R.","Nanocrystals of a Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in a Single-Crystal-to-Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","19","6778","6781","10.1021/ja4131774","","","0.71073","MoKα","","0.1563","0.1291","","","0.2974","0.3166","","","","","","1.114","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121762","18.775","0.004","5.2389","0.0011","19.165","0.004","90","","113.833","0.002","90","","1724.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0512","","","","","","1.063","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121763","19.774","0.006","5.1185","0.0015","17.225","0.005","90","","113.152","0.004","90","","1603","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C60 H80 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0338","0.0304","","","0.0702","0.0714","","","","","","1.013","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121780","19.87","0.016","22.96","0.015","48.42","0.04","90","","96.63","0.03","90","","21942","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H170 N16 O17 Zn2 -","- C73 H79 N3 O14 Zn2 -","- C584 H632 N24 O112 Zn16 -","8","2","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","1.54178","CuKα","","0.1125","0.1038","","","0.2963","0.3056","","","","","","1.256","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4122116","17.119","0.003","11.551","0.002","14.902","0.003","90","","118.09","0.03","90","","2599.6","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.5 H21 Cl N6 Zn -","- C28.5 H21 Cl N6 Zn -","- C114 H84 Cl4 N24 Zn4 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0615","0.0506","","0.1679","0.139","","","","0.899","0.918","0.918","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122140","18.803","0.005","6.1937","0.0015","16.084","0.004","90","","110.666","0.004","90","","1752.6","0.8","125","2","125","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Plummer, Christopher W.; Wei, Carolyn S.; Yozwiak, Carrie E.; Soheili, Arash; Smithback, Sara O.; Leighton, James L.","Design, development, mechanistic elucidation, and rational optimization of a tandem ireland claisen/cope rearrangement reaction for rapid access to the (iso)cyclocitrinol core.","Journal of the American Chemical Society","2014","136","28","9878","9881","10.1021/ja505131v","","","0.71073","MoKα","","0.0929","0.0566","","","0.129","0.1479","","","","","","1.033","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122619","7.7316","0.001","7.5418","0.001","13.2928","0.0018","90","","102.481","0.004","90","","756.79","0.17","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","(EDBE)[PbCl4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetrachloroplumbate","","- C6 H18 Cl4 N2 O2 Pb -","- C6 H18 Cl4 N2 O2 Pb -","- C12 H36 Cl8 N4 O4 Pb2 -","2","0.5","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0285","0.0285","","","0.0786","0.0786","","","","","","1.155","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122657","21.66","0.002","5.489","0.0007","16.9869","0.0018","90","","113.084","0.006","90","","1857.9","0.4","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.1176","0.0678","","","0.1835","0.2309","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122941","46.2752","0.0015","16.1173","0.0005","40.4255","0.0014","90","","90.025","0.002","90","","30150.6","1.7","100","2","100.07","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H44 Cl N6 O12 -","- C61 H44 Cl N6 O12 -","- C976 H704 Cl16 N96 O192 -","16","4","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.085","0.0651","","","0.1802","0.1923","","","","","","1.021","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122942","46.8926","0.0008","16.3192","0.0003","40.7083","0.0007","90","","90.6571","0.0012","90","","31150","0.9","240","2","240","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H42 N6 O12 -","- C60 H42 N6 O12 -","- C960 H672 N96 O192 -","16","4","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.0765","0.0523","","","0.1349","0.144","","","","","","0.979","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123356","20.7653","0.0004","6.6804","0.00012","18.6726","0.0003","90","","110.495","0.001","90","","2426.32","0.08","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H25 Br O5 -","- C28 H25 Br O5 -","- C112 H100 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0915","0.0409","","","0.0597","0.0918","","","","","","1.192","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123437","38.232","0.0004","10.10328","0.00011","10.11886","0.00012","90","","94.4473","0.001","90","","3896.83","0.08","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H41 Fe N5 O3 -","- C46 H41 Fe N5 O3 -","- C184 H164 Fe4 N20 O12 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0429","0.041","","","0.0942","0.095","","","","","","1.17","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123638","23.135","0.003","6.5721","0.0007","14.9065","0.0018","90","","128.095","0.011","90","","1783.7","0.5","293","2","293","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C28 H36 -","- C24 H32 -","- C96 H128 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.0889","0.0528","","","0.1261","0.1452","","","","","","0.818","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123776","35.08","0.04","7.555","0.009","17.7","0.02","90","","90.84","0.03","90","","4691","9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47 H80 Cl4 N O9 -","- C47 H61 Cl4 N O9 -","- C188 H244 Cl16 N4 O36 -","4","1","","Xiao, Qing; Young, Kyle; Zakarian, Armen","Total synthesis and structural revision of (+)-muironolide a.","Journal of the American Chemical Society","2015","137","18","5907","5910","10.1021/jacs.5b03531","","","0.71073","MoKα","","0.2745","0.1496","","","0.3445","0.423","","","","","","1.129","","","","has coordinates","137978","2020-10-21","18:00:00",""
"4123789","24.7884","0.0005","4.9779","0.00009","20.9526","0.0004","90","","104.037","0.002","90","","2508.23","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H30 Cl N O5 -","- C27.5 H29 Cl N O5 -","- C110 H116 Cl4 N4 O20 -","4","1","","Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei","Catalytic enantioselective intermolecular desymmetrization of azetidines.","Journal of the American Chemical Society","2015","137","18","5895","5898","10.1021/jacs.5b03083","","x-ray","1.54184","CuKα","","0.0457","0.0429","","","0.1132","0.1162","","","","","","1.004","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123993","9.8906","","5.8222","","10.0467","","90","","108.303","","90","","549.271","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi Sc O3","","- Bi O3 Sc -","- Bi O3 Sc -","- Bi8 O24 Sc8 -","8","2","","Belik, A.A.; Shamoto, S.; Kodama, K.; Igawa, N.; Iikubo, S.; Takayama-Muromachi, E.; Maie, M.; Matsui, Y.; Stefanovich, S.Yu.; Nagai, T.; Lazoryak, B.I.","Bi Sc O3: Centrosymmetric Bi Mn O3-type oxide","Journal of the American Chemical Society","2006","128","","706","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124294","19.3133","0.001","8.6913","0.0004","18.1902","0.0013","90","","99.683","0.005","90","","3009.9","0.3","100","2","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.25 H39 Cl N O3.25 -","- C28.25 H39 Cl N O3.25 -","- C113 H156 Cl4 N4 O13 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.1655","0.0996","","","0.2531","0.3085","","","","","","1.006","","","","has coordinates,has disorder","154649","2020-10-21","18:00:00",""
"4124309","21.7101","0.0005","7.1557","0.0001","10.9015","0.0008","90","","116.571","0.008","90","","1514.69","0.16","273","2","273","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 Br N -","- C17 H19 Br N -","- C68 H76 Br4 N4 -","4","1","","White, Derick R.; Hutt, Johnathon T.; Wolfe, John P.","Asymmetric Pd-Catalyzed Alkene Carboamination Reactions for the Synthesis of 2-Aminoindane Derivatives.","Journal of the American Chemical Society","2015","137","35","11246","11249","10.1021/jacs.5b07203","","","1.54178","CuKα","","0.0448","0.0418","","","0.1083","0.1112","","","","","","1.043","","","","has coordinates","160533","2020-10-21","18:00:00",""
"4124717","13.2881","0.0008","5.8915","0.0004","19.8797","0.0012","90","","92.69","0.002","90","","1554.6","0.17","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0677","0.068","","","","","","1.068","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124720","13.8633","0.0006","6.4503","0.0003","26.1395","0.0012","90","","103.365","0.003","90","","2274.15","0.18","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H41 N O2 -","- C25 H41 N O2 -","- C100 H164 N4 O8 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.05","0.0474","","","0.1193","0.1209","","","","","","1.095","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124752","24.274","0.004","25.634","0.004","11.0898","0.0015","90","","114.924","0.01","90","","6257.9","1.7","220","2","220","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H35 N Ni3 O16 -","- C35 H35 N Ni3 O16 -","- C140 H140 N4 Ni12 O64 -","4","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1481","0.0782","","","0.1577","0.177","","","","","","1.011","","","","has coordinates","173579","2020-10-21","18:00:00",""
"4124826","44.091","0.002","25.406","0.0014","17.1248","0.0009","90","","91.176","0.004","90","","19178.7","1.7","260","2","260","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C111 H72 N6 O12 Zn3 -","- C111 H72 N6 O12 Zn3 -","- C444 H288 N24 O48 Zn12 -","4","1","","Hu, Zhichao; Lustig, William P.; Zhang, Jingming; Zheng, Chong; Wang, Hao; Teat, Simon J.; Gong, Qihan; Rudd, Nathan D.; Li, Jing","Effective Detection of Mycotoxins by a Highly Luminescent Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","51","16209","16215","10.1021/jacs.5b10308","","","0.7749","synchrotron","","0.0688","0.0598","","","0.1463","0.1507","","","","","","0.983","","","","has coordinates,has disorder","173460","2020-10-21","18:00:00",""
"4124847","9.649","","8.393","","9.72","","90","","95.08","","90","","784.073","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(K1.6 Rb0.4) (Hg3 Ge2 S8)","","- Ge2 Hg3 K1.6 Rb0.4 S8 -","- Ge2 Hg3 K1.6 Rb0.4 S8 -","- Ge4 Hg6 K3.2 Rb0.8 S16 -","2","0.5","","Liao, J.-H.; Marking, G.M.; Ewbank, M.D.; Hsu, K.-F.; Rosker, M.J.; Kanatzidis, M.G.; Matsushita, Y.; Borwick, R.; Cunningham, P.","Alpha- and beta-(A2 Hg3 M2 S8) (A = K, Rb; M = Ge, Sn): polar quaternary chalcogenides with strong nonlinear optical response","Journal of the American Chemical Society","2003","125","","9484","9493","","","","","","","","","","","","","","","","","","","","","","has coordinates","173968","2020-10-21","18:00:00",""
"4125229","21.7695","0.0007","5.8807","0.0002","10.4637","0.0003","90","","97.282","0.002","90","","1328.76","0.07","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0359","0.0349","","","0.0937","0.0948","","","","","","1.035","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125265","24.2255","0.0006","8.1758","0.0002","16.4519","0.0005","90","","99.107","0.003","90","","3217.43","0.15","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 F I2 N3 O2 -","- C29 H48 F I2 N3 O2 -","- C116 H192 F4 I8 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.025","0.0249","","0.0663","0.0662","0.0663","","","","","","1.0075","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125266","23.8588","0.0006","8.1744","0.0002","16.1922","0.0004","90","","96.692","0.003","90","","3136.47","0.14","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 Br2 F N3 O2 -","- C29 H48 Br2 F N3 O2 -","- C116 H192 Br8 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0359","0.0344","","0.0893","0.0882","0.0893","","","","","","0.9995","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125294","32.045","0.004","8.258","0.0009","14.0706","0.0015","90","","97.5","0.003","90","","3691.6","0.7","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45 H36 N4 O9 -","- C45 H36 N4 O9 -","- C180 H144 N16 O36 -","4","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.0375","0.0372","","","0.1004","0.1008","","","","","","1.053","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125324","19.2665","0.001","4.8848","0.0002","30.5146","0.0021","90","","92.5","0.1","90","","2869.1","0.4","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H41 Cu N5 O10 -","- C25 H46.58 Cu N5.86 O9.25 -","- C100 H186.32 Cu4 N23.44 O37 -","4","1","","Mantion, Alexandre; Massüger, Lars; Rabu, Pierre; Palivan, Cornelia; McCusker, Lynne B.; Taubert, Andreas","Metal‒Peptide Frameworks (MPFs): “Bioinspired” Metal Organic Frameworks","Journal of the American Chemical Society","2008","130","8","2517","2526","10.1021/ja0762588","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","189122","2020-10-21","18:00:00",""
"4125366","27.2814","0.0019","15.4659","0.0011","17.7648","0.0012","90","","106.757","0.002","90","","7177.2","0.9","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.25 H54.5 Cl N6 O6.25 -","- C29.25 H54.5 Cl N6 O6.25 -","- C234 H436 Cl8 N48 O50 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0401","0.0392","","","0.1146","0.1154","","","","","","1.042","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125435","63.0115","0.0019","6.0061","0.0002","9.4791","0.0003","90","","98.186","0.001","90","","3550.8","0.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0401","0.038","","","0.0984","0.1003","","","","","","1.064","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125476","32.039","0.006","8.102","0.0014","10.3858","0.0018","90","","101.971","0.003","90","","2637.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H36 Br N3 O6 -","- C27 H36 Br N3 O6 -","- C108 H144 Br4 N12 O24 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.051","0.0392","","","0.0888","0.0929","","","","","","0.989","","","","has coordinates,has disorder","194839","2020-10-21","18:00:00",""
"4125688","63.0604","0.0012","6.0203","0.0001","9.4894","0.0002","90","","98.123","0.001","90","","3566.44","0.12","125","","125","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H21 F2 N O2 S -","- C20 H21 F2 N O2 S -","- C160 H168 F16 N8 O16 S8 -","8","2","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0372","0.0338","","","0.079","0.0809","","","","","","1.076","","","","has coordinates","193085","2020-10-21","18:00:00",""
"4125731","23.42","0.003","10.569","0.0015","22.221","0.003","90","","91.868","0.003","90","","5497.4","1.3","100","","100","","","","","","","","dichloromethane","9","C 1 2 1","C 2y","5","","Title","","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb -","- C210 H222 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","Mo-Kα","","0.0347","0.0306","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates,has disorder","193110","2020-10-21","18:00:00",""
"4125778","21.5878","0.0015","5.0337","0.0003","14.653","0.0009","90","","104.612","0.005","90","","1540.79","0.17","173","2","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H16 Cl2 N2 O3 -","- C13 H16 Cl2 N2 O3 -","- C52 H64 Cl8 N8 O12 -","4","1","","Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak","Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides.","Journal of the American Chemical Society","2017","139","6","2132","2135","10.1021/jacs.6b09203","","","1.54178","CuKα","","0.0673","0.039","","","0.0854","0.1043","","","","","","1.093","","","","has coordinates","193152","2020-10-21","18:00:00",""
"4125864","17.1024","0.001","20.8582","0.0012","23.0504","0.0013","90","","102.493","0.002","90","","8028","0.8","120","2","120.06","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C37 H23 B2 Cl4 F8 Fe N7 -","- C37 H23 B2 Cl4 F8 Fe N7 -","- C296 H184 B16 Cl32 F64 Fe8 N56 -","8","2","","Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H.","A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines.","Journal of the American Chemical Society","2017","139","12","4493","4505","10.1021/jacs.7b00700","","","0.71073","MoKα","","0.0534","0.038","","","0.0782","0.0842","","","","","","1.022","","","","has coordinates","194844","2020-10-21","18:00:00",""
"4125912","24.2286","0.0012","5.0539","0.0003","27.8102","0.0014","90","","101.601","0.004","90","","3335.8","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C37 H48 N2 O6 -","- C37 H48 N2 O6 -","- C148 H192 N8 O24 -","4","1","","Sato, Michio; Dander, Jacob E.; Sato, Chizuru; Hung, Yiu-Sun; Gao, Shu-Shan; Tang, Man-Cheng; Hang, Leibniz; Winter, Jaclyn M.; Garg, Neil K.; Watanabe, Kenji; Tang, Yi","Collaborative Biosynthesis of Maleimide- and Succinimide-Containing Natural Products by Fungal Polyketide Megasynthases.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02432","","","1.54178","CuKα","","0.0526","0.0419","","","0.0987","0.102","","","","","","1.041","","","","has coordinates,has disorder","195242","2020-10-21","18:00:00",""
"4126018","33.42","0.007","9.66","0.002","24.843","0.005","90","","111.533","0.003","90","","7460","3","90","2","90","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C86 H116 Sn2 -","- C86 H116 Sn2 -","- C344 H464 Sn8 -","4","1","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","0.71073","MoKα","","0.0653","0.0579","","","0.1397","0.1455","","","","","","1.019","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126105","22.2432","0.0016","5.1818","0.0004","7.3296","0.0005","90","","100.94","0.002","90","","829.46","0.1","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0531","0.0367","","","0.0666","0.0716","","","","","","1.024","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126106","22.2521","0.0016","5.1837","0.0004","7.3301","0.0005","90","","101.04","0.002","90","","829.87","0.1","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0671","0.0426","","","0.0702","0.0774","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126107","22.251","0.0016","5.1888","0.0004","7.3397","0.0005","90","","100.933","0.002","90","","832.03","0.1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0646","0.0407","","","0.067","0.0733","","","","","","1.008","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126108","22.2551","0.0016","5.1918","0.0004","7.3461","0.0005","90","","100.931","0.002","90","","833.4","0.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0695","0.0432","","","0.0694","0.0762","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126109","22.2721","0.0015","5.1991","0.0003","7.3568","0.0005","90","","100.904","0.002","90","","836.5","0.09","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.068","0.04","","","0.0642","0.0706","","","","","","1.023","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126110","22.2938","0.0015","5.2044","0.0004","7.3649","0.0005","90","","100.915","0.002","90","","839.06","0.1","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0566","0.0364","","","0.063","0.0682","","","","","","1.03","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126111","22.3078","0.0018","5.2074","0.0004","7.367","0.0006","90","","100.931","0.003","90","","840.26","0.12","323","2","323","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0631","0.039","","","0.0707","0.078","","","","","","1.027","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126112","22.351","0.002","5.2166","0.0004","7.3765","0.0006","90","","101.008","0.003","90","","844.25","0.12","363","2","363","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 O4 Pd -","- C8 H24 Br3 N4 O4 Pd -","- C16 H48 Br6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability.","Journal of the American Chemical Society","2017","139","19","6562","6565","10.1021/jacs.7b02558","","","0.71073","MoKα","","0.0762","0.0435","","","0.082","0.0916","","","","","","1.043","","","","has coordinates","197254","2020-10-21","18:00:00",""
"4126220","16.4745","0.0013","10.3337","0.0008","18.463","0.002","90","","112.448","0.005","90","","2905","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H29 Cl F3 N2 O1.5 -","- C29 H29 Cl F3 N2 O1.5 -","- C116 H116 Cl4 F12 N8 O6 -","4","1","","Wang, Haoxuan; Yang, Jeffrey Chih-Yeh; Buchwald, Stephen L.","CuH-Catalyzed Regioselective Intramolecular Hydroamination for the Synthesis of Alkyl-Substituted Chiral Aziridines.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04816","","","1.54178","CuKα","","0.0613","0.047","","","0.1278","0.1398","","","","","","1.089","","","","has coordinates,has disorder","197855","2020-10-21","18:00:00",""
"4126233","19.261","0.002","25.28","0.003","32.387","0.004","90","","104.025","0.002","90","","15300","3","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","(R)-BINSA-trimer potasium magnesium salt","","","- C120 H108 K3.5 Mg1.5 O21.5 S6 -","- C120 H108 K3.5 Mg1.5 O21.5 S6 -","- C480 H432 K14 Mg6 O86 S24 -","4","1","","Hatano, Manabu; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Cycloaddition of Styrenes with Aldimines Catalyzed by a Chiral Magnesium Potassium Binaphthyldisulfonate Cluster as a Chiral Brønsted Acid Catalyst.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04795","","","0.71075","MoKα","","0.1513","0.1095","","","0.2703","0.2849","","","","","","1.637","","","","has coordinates","198013","2020-10-21","18:00:00",""
"4126234","19.657","0.003","7.8904","0.0013","20.662","0.003","90","","100.247","0.003","90","","3153.6","0.8","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","(4S,5R,6R)-4-(2-iodophenyl)-5-methyl-6-phenyl-1,3-oxazinan-2-one","","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C136 H128 I8 N8 O16 -","8","2","","Hatano, Manabu; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Cycloaddition of Styrenes with Aldimines Catalyzed by a Chiral Magnesium Potassium Binaphthyldisulfonate Cluster as a Chiral Brønsted Acid Catalyst.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04795","","","0.71075","MoKα","","0.0422","0.0414","","","0.1069","0.1072","","","","","","1.251","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4126640","21.556","0.006","6.8458","0.0017","21.251","0.008","90","","118.661","0.005","90","","2751.7","1.5","90","0.1","90","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H26.5 Cl2 F N O9.25 -","- C27 H26.414 Cl2 F N O9.207 -","- C108 H105.656 Cl8 F4 N4 O36.828 -","4","1","","Duo, Tianmeng; Robinson, Kyle; Greig, Ian R.; Chen, Hong-Ming; Patrick, Brian O.; Withers, Stephen G.","Remarkable Reactivity Differences between Glucosides with Identical Leaving Groups.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09645","","","0.71073","MoKα","","0.0355","0.0297","","","0.0692","0.0732","","","","","","1.029","","","","has coordinates,has disorder","202302","2020-10-21","18:00:00",""
"4126669","26.0154","0.0006","7.2638","0.0002","12.3046","0.0003","90","","94.652","0.002","90","","2317.55","0.1","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3R,4aR,5R,6R)-3-((S)-but-3-en-2-yl)-6-((tert-butyldimethylsilyl)oxy)- 3-hydroxy-4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one","","- C22 H38 O3 Si -","- C22 H38 O3 Si -","- C88 H152 O12 Si4 -","4","1","","Liffert, Raphael; Linden, Anthony; Gademann, Karl","Total Synthesis of the Sesquiterpenoid Periconianone A Based on a Postulated Biogenesis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10053","","","1.54184","CuKα","","0.0537","0.0398","","","0.1056","0.1105","","","","","","1.069","","","","has coordinates,has disorder","202524","2020-10-21","18:00:00",""
"4126670","25.2644","0.0006","7.33538","0.00018","12.3638","0.0003","90","","94.354","0.002","90","","2284.7","0.1","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3R,4aR,5R,6R)-3-((R)-but-3-en-2-yl)-6-((tert-butyldimethylsilyl)oxy)- 3-hydroxy-4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one","","- C22 H38 O3 Si -","- C22 H38 O3 Si -","- C88 H152 O12 Si4 -","4","1","","Liffert, Raphael; Linden, Anthony; Gademann, Karl","Total Synthesis of the Sesquiterpenoid Periconianone A Based on a Postulated Biogenesis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10053","","x-ray","1.54184","CuKα","","0.0475","0.044","","","0.1191","0.1229","","","","","","1.029","","","","has coordinates,has disorder","202524","2020-10-21","18:00:00",""
"4126733","22.18","0.004","7.7699","0.0014","7.2658","0.0012","90","","102.199","0.008","90","","1223.9","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.03","0.0297","","","0.0827","0.083","","","","","","1.037","","","","has coordinates","203182","2020-10-21","18:00:00",""
"4126734","19.558","0.004","7.9565","0.0016","17.993","0.003","90","","95.842","0.005","90","","2785.4","0.9","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","0.71073","MoKα","","0.0504","0.0405","","","0.0961","0.1005","","","","","","1.011","","","","has coordinates","203183","2020-10-21","18:00:00",""
"4126740","35.0105","0.0005","14.9044","0.0002","31.0306","0.0005","90","","102.03","0.002","90","","15836.5","0.4","100","2","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C87 H72 I12 N24 Zn6 -","- C87 H72 I12 N24 Zn6 -","- C348 H288 I48 N96 Zn24 -","4","1","","Kersten, Roland D.; Lee, Shoukou; Fujita, Daishi; Pluskal, Tomáš; Kram, Susan; Smith, Jennifer E.; Iwai, Takahiro; Noel, Joseph P.; Fujita, Makoto; Weng, Jing-Ke","A Red Algal Bourbonane Sesquiterpene Synthase Defined by Microgram-scale NMR-coupled Crystalline Sponge XRD Analysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09452","","x-ray","1.54184","CuKα","","0.0628","0.0602","","","0.1717","0.1749","","","","","","1.081","","","","has coordinates,has disorder","203189","2020-10-21","18:00:00",""
"4127034","18.0473","0.0009","5.647","0.0003","12.1602","0.0006","90","","91.82","0.002","90","","1238.66","0.11","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0279","0.0269","","","0.068","0.0687","","","","","","1.091","","","","has coordinates","205272","2020-10-21","18:00:00",""
"4127075","22.803","0.002","8.0763","0.0008","13.3188","0.0014","90","","117.96","0.003","90","","2166.5","0.4","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H20 Br Cl F3 N O3 -","- C22 H20 Br Cl F3 N O3 -","- C88 H80 Br4 Cl4 F12 N4 O12 -","4","1","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.0524","0.0357","","","0.0787","0.0871","","","","","","1.055","","","","has coordinates","205580","2020-10-21","18:00:00",""
"4127413","33.1205","0.001","11.3921","0.0003","25.2617","0.0013","90","","129.951","0.002","90","","7306.8","0.5","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C41 H57 N O4 -","- C41 H57 N O4 -","- C328 H456 N8 O32 -","8","2","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-<i>epi</i>-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0492","0.0411","","","0.1042","0.1095","","","","","","1.058","","","","has coordinates,has disorder","220690","2020-10-21","18:00:00",""
"4127442","27.636","0.008","9.669","0.003","15.648","0.006","90","","91.294","0.013","90","","4180","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N3 O -","- C47 H65 N3 O -","- C188 H260 N12 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0715","0.0682","","","0.1856","0.1886","","","","","","1.047","","","","has coordinates,has disorder","220715","2020-10-21","18:00:00",""
"4127484","17.735","0.01","12.563","0.006","13.175","0.008","90","","131.204","0.009","90","","2209","2","113","","113","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H28 Cl N2 P2 V -","- C18 H28 Cl N2 P2 V -","- C72 H112 Cl4 N8 P8 V4 -","4","1","","Kawakita, Kento; Beaumier, Evan P.; Kakiuchi, Yuya; Tsurugi, Hayato; Tonks, Ian A.; Mashima, Kazushi","Bis(imido)vanadium(V)-Catalyzed [2+2+1] Coupling of Alkynes and Azobenzenes Giving Multisubstituted Pyrroles.","Journal of the American Chemical Society","2019","141","10","4194","4198","10.1021/jacs.8b13390","","","0.71075","MoKα","","0.0507","0.0346","","","0.0548","0.0592","","","","","","1.054","","","","has coordinates","220753","2020-10-21","18:00:00",""
"4127597","24.92","0.02","8.848","0.008","19.069","0.016","90","","137.02","0.03","90","","2866","5","293","2","293.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C104 H106 B2 F48 N2 O22 -","4","1","","Wang, Xiang; Shyshov, Oleksandr; Hanževački, Marko; Jäger, Christof M; von Delius, Max","Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive.","Journal of the American Chemical Society","2019","141","22","8868","8876","10.1021/jacs.9b01350","","","0.71073","MoKα","","0.0617","0.0495","","","0.1168","0.1254","","","","","","1.045","","","","has coordinates,has disorder","220809","2020-10-21","18:00:00",""
"4127641","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 O Pb9 -","- C33.64 H132 I32 N9.98 O3.03 Pb9 -","- C67.28 H264 I64 N19.96 O6.06 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.176","0.0894","","","0.1591","0.1736","","","","3.38","3.38","2.47","","","","has coordinates","220847","2020-10-21","18:00:00",""
"4127646","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 Pb9 -","- C38 H132 I32 N14 Pb9 -","- C76 H264 I64 N28 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.194","0.1077","","","0.1973","0.2113","","","","4.18","4.18","3","","","","has coordinates","220852","2020-10-21","18:00:00",""
"4127672","36.2576","0.0004","14.34286","0.00013","34.8216","0.0004","90","","108.398","0.0011","90","","17183","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C143 H130 I12 N24 O10 Zn6 -","- C143 H130 I12 N24 O10 Zn6 -","- C572 H520 I48 N96 O40 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.075","0.0733","","","0.2075","0.2096","","","","","","1.083","","","","has coordinates,has disorder","220871","2020-10-21","18:00:00",""
"4127675","36.27","0.0003","14.5028","0.0001","34.6393","0.0003","90","","109.143","0.001","90","","17213.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C104 H84 I12 N24 O4 Zn6 -","- C104 H84 I12 N24 O4 Zn6 -","- C416 H336 I48 N96 O16 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.0836","0.0798","","","0.2224","0.2317","","","","","","1.042","","","","has coordinates,has disorder","220874","2020-10-21","18:00:00",""
"4127756","27.671","0.002","6.9365","0.0006","10.7712","0.0008","90","","100.202","0.004","90","","2034.7","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H31 B O4 -","- C19 H31 B O4 -","- C76 H124 B4 O16 -","4","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0729","0.0572","","","0.1513","0.1704","","","","","","1.025","","","","has coordinates,has disorder","220927","2020-10-21","18:00:00",""
"4127806","16.7996","0.0008","7.775","0.0003","19.4691","0.001","90","","103.809","0.005","90","","2469.5","0.2","179.98","0.13","179.98","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H35 N O4 -","- C27 H35 N O4 -","- C108 H140 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0425","0.0349","","","0.0826","0.0853","","","","","","1.041","","","","has coordinates","220978","2020-10-21","18:00:00",""
"4128155","33.1593","0.0015","8.7821","0.0004","23.3882","0.001","90","","129.718","0.002","90","","5238.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26.5 H37.5 Cl N3 O2 -","- C26.5 H37.5 Cl N3 O2 -","- C212 H300 Cl8 N24 O16 -","8","2","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.0541","0.046","","","0.1164","0.1199","","","","","","1.046","","","","has coordinates,has disorder","221282","2020-10-21","18:00:00",""
"4128237","38.3334","0.0002","33.8624","0.0003","42.0755","0.0003","90","","101.282","0.001","90","","53561.2","0.7","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C320 H261 Cl0 Mo36 N21 O125 P13 -","- C320 H261 Mo36 N21 O125 P13 -","- C1280 H1044 Mo144 N84 O500 P52 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0782","0.0622","","","0.175","0.1951","","","","","","1.011","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128379","45.7488","0.0013","31.7238","0.0013","31.6653","0.0008","90","","122.171","0.004","90","","38901","3","150","0.1","150","0.1","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C258 H90 -","- C258 H90 -","- C1032 H360 -","4","1","","Zhu, Yanpeng; Guo, Xiaoyu; Li, Yang; Wang, Jiaobing","Fusing of Seven HBCs toward a Green Nanographene Propeller.","Journal of the American Chemical Society","2019","141","13","5511","5517","10.1021/jacs.9b01266","","x-ray","1.54178","CuKα","","0.1222","0.0931","","","0.208","0.2254","","","","","","0.899","","","","has coordinates","221500","2020-10-21","18:00:00",""
"4128533","27.7435","0.0013","4.9525","0.0002","8.2103","0.0004","90","","91.246","0.004","90","","1127.83","0.09","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- H4 Li2 N Na O8 S2 -","- H4 Li2 N Na O8 S2 -","- H24 Li12 N6 Na6 O48 S12 -","6","1.5","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.023","0.0224","","","0.0566","0.0571","","","","","","1.063","","","","has coordinates","221615","2020-10-21","18:00:00",""
"4128564","24.0901","0.0002","12.5656","0.0001","17.3127","0.0001","90","","93.747","0.001","90","","5229.47","0.07","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C217.6 H277.6 Au4 Cl13.6 N4 O5.2 P4 -","4","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0378","0.0334","","","0.0844","0.0859","","","","","","1.078","","","","has coordinates,has disorder","221644","2020-10-21","18:00:00",""
"4128607","21.5588","0.001","9.6915","0.0004","18.4478","0.0007","90","","111.05","0.002","90","","3597.2","0.3","135","2","135","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H20 Cl N O5 -","- C17 H20 Cl N O5 -","- C136 H160 Cl8 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0706","0.0409","","","0.07","0.076","","","","","","1.026","","","","has coordinates,has disorder","221688","2020-10-21","18:00:00",""
"4128737","20.778","0.004","7.2406","0.0017","17.576","0.006","90","","98.794","0.012","90","","2613.1","1.2","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H64 N18 O24 P2 -","- C38 H64 N18 O24 P2 -","- C76 H128 N36 O48 P4 -","2","0.5","","Zhou, Li; Retailleau, Pascal; Morel, Mathieu; Rudiuk, Sergii; Baigl, Damien","Photoswitchable Fluorescent Crystals Obtained by the Photoreversible Coassembly of a Nucleobase and an Azobenzene Intercalator.","Journal of the American Chemical Society","2019","141","23","9321","9329","10.1021/jacs.9b02836","","","1.54187","CuKα","","0.1971","0.0891","","","0.2031","0.265","","","","","","0.978","","","","has coordinates","221812","2020-10-21","18:00:00",""
"4128815","17.4608","0.001","20.0262","0.0006","17.657","0.0012","90","","113.308","0.007","90","","5670.3","0.6","149.99","0.1","149.99","0.1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C98 H114 B3 Co3 F12 N22 O12 -","- C98 H114 B3 Co3 F12 N22 O12 -","- C196 H228 B6 Co6 F24 N44 O24 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.1383","0.12","","","0.3169","0.3485","","","","","","1.453","","","","has coordinates,has disorder","221880","2020-10-21","18:00:00",""
"4129053","16.8035","0.0001","44.6481","0.0002","33.5757","0.0002","90","","94.1993","0.0005","90","","25122.4","0.2","123","2","123","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C92.5 H60 -","- C92.5 H60 -","- C1480 H960 -","16","4","","Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru","Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09179","","x-ray","1.54184","CuKα","","0.0513","0.0499","","","0.138","0.1392","","","","","","1.055","","","","has coordinates,has disorder","222077","2020-10-21","18:00:00",""
"4129059","18.0595","0.0006","6.7674","0.0002","14.6897","0.0006","90","","104.488","0.004","90","","1738.22","0.11","293","","293","","","","","","","","","2","C 1 2 1","C 2y","5","","yi190108-hys-293K","","- C52 H32 -","- C52 H32 -","- C104 H64 -","2","0.5","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","x-ray","1.54184","CuKα","","0.1201","0.1191","","","0.2996","0.301","","","","","","1.511","","","","has coordinates","222083","2020-10-21","18:00:00",""
"4129170","14.6595","0.0006","9.9009","0.0003","16.7124","0.001","90","","110.621","0.006","90","","2270.3","0.2","294.2","0.6","294.2","0.6","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H25 Br O2 -","- C26 H25 Br O2 -","- C104 H100 Br4 O8 -","4","1","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO<sub>2</sub>.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.066","0.0639","","","0.1649","0.1694","","","","","","1.047","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4129277","25.005","0.003","5.7568","0.0007","10.8764","0.0013","90","","90.027","0.002","90","","1565.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H19 F2 O4 P -","- C14 H19 F2 O4 P -","- C56 H76 F8 O16 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0406","0.0373","","","0.0917","0.094","","","","","","0.988","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129376","24.6","0.002","14.0091","0.0013","12.6805","0.0012","90","","97.223","0.001","90","","4335.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H60 Co2 N4 P3 -","- C39 H60 Co2 N4 P3 -","- C156 H240 Co8 N16 P12 -","4","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.0562","0.0432","","","0.095","0.1013","","","","","","1.032","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4130030","22.5853","0.0015","18.2181","0.0013","22.6199","0.0016","90","","101.533","0.004","90","","9119.3","1.1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","20120034","","","- C44 H32 Cl2 F12 Rh2 -","- C44 H32 Cl2 F12 Rh2 -","- C352 H256 Cl16 F96 Rh16 -","8","2","","Chen, Diao; Zhu, Dong-Xing; Xu, Ming-Hua","Rhodium(I)-Catalyzed Highly Enantioselective Insertion of Carbenoid into Si-H: Efficient Access to Functional Chiral Silanes.","Journal of the American Chemical Society","2016","138","5","1498","1501","10.1021/jacs.5b12960","","","0.71073","MoKα","","0.0733","0.0485","","","0.1177","0.1304","","","","","","0.965","","","","has coordinates","240622","2020-10-21","18:00:00",""
"4130060","21.2783","0.0016","6.1728","0.0004","18.1174","0.0013","90","","116.907","0.009","90","","2122","0.3","103.2","","103.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C100 H108 N4 O8 -","4","1","","Wu, Jicheng; Zhao, Changgui; Wang, Jian","Enantioselective Intermolecular Enamide-Aldehyde Cross-Coupling Catalyzed by Chiral N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2016","138","14","4706","4709","10.1021/jacs.5b13501","","","1.5418","CuKα","","0.0476","0.0427","","","0.1077","0.1126","","","","","","1.032","","","","has coordinates","240647","2020-10-21","18:00:00",""
"4130161","26.346","0.008","9.78","0.003","12.743","0.004","90","","101.641","0.005","90","","3215.9","1.7","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H40 N2 -","- C39 H40 N2 -","- C156 H160 N8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.103","0.0723","","","0.1942","0.2263","","","","","","1.055","","","","has coordinates","240714","2020-10-21","18:00:00",""
"4130262","21.3275","0.001","5.0556","0.0002","18.7396","0.0011","90","","110.71","0.003","90","","1890","0.16","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H16 Br Cl5 O3 -","- C15 H16 Br Cl5 O3 -","- C60 H64 Br4 Cl20 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0237","0.0204","","","0.0446","0.0455","","","","","","1.048","","","","has coordinates","240764","2020-10-21","18:00:00",""
"4130264","21.9618","0.0012","5.2143","0.0003","18.6577","0.0011","90","","110.597","0.003","90","","2000","0.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 Br6 O3 -","- C15 H16 Br6 O3 -","- C60 H64 Br24 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0227","0.0197","","","0.0399","0.0407","","","","","","0.999","","","","has coordinates","240766","2020-10-21","18:00:00",""
"4130294","21.686","0.009","4.784","0.002","27.556","0.013","90","","102.913","0.01","90","","2787","2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H44 N4 O8 -","- C60 H44 N4 O8 -","- C120 H88 N8 O16 -","2","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0994","0.0754","","","0.1932","0.2067","","","","","","1.04","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130559","14.7211","0.0009","7.1449","0.0004","23.5913","0.0014","90","","90.528","0.004","90","","2481.2","0.3","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H21 Br2 O6 P -","- C26 H21 Br2 O6 P -","- C104 H84 Br8 O24 P4 -","4","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.1329","0.0623","","","0.1304","0.1711","","","","","","1.012","","","","has coordinates,has disorder","240968","2020-10-21","18:00:00",""
"4130573","22.6193","0.0006","12.2384","0.0003","29.5286","0.0007","90","","92.679","0.002","90","","8165.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C75 H78 F21 N9 O3 S3 -","- C75 H78 F21 N9 O3 S3 -","- C300 H312 F84 N36 O12 S12 -","4","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0402","0.0354","","","0.0862","0.0887","","","","","","1.03","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130574","21.9073","0.0011","10.2539","0.0005","15.4936","0.0008","90","","119.671","0.003","90","","3024.1","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H64 Cl F14 N7 O4 -","- C54 H64 Cl F14 N7 O4 -","- C108 H128 Cl2 F28 N14 O8 -","2","0.5","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0867","0.0783","","","0.193","0.2017","","","","","","1.096","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130587","14.7436","0.0011","20.14","0.0012","27.3915","0.0019","90","","104.347","0.005","90","","7879.9","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C352 H304 Br16 N32 O48 -","16","4","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0872","0.0686","","","0.1658","0.1809","","","","","","1.048","","","","has coordinates","240987","2020-10-21","18:00:00",""
"4130680","31.304","0.013","7.83","0.003","12.515","0.006","90","","110.626","0.006","90","","2871","2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.036","","","","0.0854","","","","","","1","","","","has coordinates","241070","2020-10-21","18:00:00",""
"4130683","24.814","0.007","7.7307","0.0017","19.58","0.005","90","","126.078","0.003","90","","3035.7","1.3","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H27 Cl2 F4 N O5 S -","- C32 H27 Cl2 F4 N O5 S -","- C128 H108 Cl8 F16 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0385","","","","0.0906","","","","","","1","","","","has coordinates","241073","2020-10-21","18:00:00",""
"4130688","33.429","0.009","7.7463","0.0016","12.033","0.003","90","","110.194","0.004","90","","2924.4","1.2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0437","","","","0.1023","","","","","","1","","","","has coordinates","241078","2020-10-21","18:00:00",""
"4130827","18.608","0.004","10.59","0.002","20.591","0.005","90","","98.67","0.003","90","","4011.3","1.5","173.15","","173.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H28 B2 F20 N2 O3 S2 -","- C36 H28 B2 F20 N2 O3 S2 -","- C144 H112 B8 F80 N8 O12 S8 -","4","1","","Li, Songlei; Li, Gen; Meng, Wei; Du, Haifeng","A Frustrated Lewis Pair Catalyzed Asymmetric Transfer Hydrogenation of Imines Using Ammonia Borane.","Journal of the American Chemical Society","2016","138","39","12956","12962","10.1021/jacs.6b07245","","","0.71073","MoKα","","0.0436","0.0415","","","0.0991","0.1008","","","","","","1.069","","","","has coordinates,has disorder","241187","2020-10-21","18:00:00",""
"4130858","28.274","0.004","4.8094","0.0007","10.6249","0.0014","90","","107.141","0.009","90","","1380.6","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Krishnan, Baiju P.; Rai, Rishika; Asokan, Aromal; Sureshan, Kana M.","Crystal-to-Crystal Synthesis of Triazole-Linked Pseudo-proteins via Topochemical Azide-Alkyne Cycloaddition Reaction.","Journal of the American Chemical Society","2016","138","45","14824","14827","10.1021/jacs.6b07538","","","0.71073","MoKα","","0.1144","0.0711","","","0.184","0.2138","","","","","","0.981","","","","has coordinates","241216","2020-10-21","18:00:00",""
"4130973","29.178","0.006","7.2062","0.0014","27.81","0.006","90","","118.307","0.004","90","","5148.2","1.8","130","","130","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cl N4 O3 -","- C30 H25 Cl N4 O3 -","- C240 H200 Cl8 N32 O24 -","8","2","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","0.71073","MoKα","","0.1089","0.0561","","","0.084","0.0994","","","","","","0.97","","","","has coordinates","241296","2020-10-21","18:00:00",""
"4131079","23.4967","0.0008","11.787","0.0004","18.4817","0.0006","90","","91.069","0.002","90","","5117.7","0.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C47 H52 Cl2 F12 N6 O2 S2 -","- C47 H52 Cl2 F12 N6 O2 S2 -","- C188 H208 Cl8 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0522","0.0481","","","0.126","0.1296","","","","","","1.027","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131121","21.6152","0.0006","4.3127","0.0001","14.1504","0.0004","90","","123.392","0.0009","90","","1101.35","0.05","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H12 Cl F O2 -","- C12 H12 Cl F O2 -","- C48 H48 Cl4 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0223","0.0221","","","0.0586","0.0592","","","","","","1.076","","","","has coordinates","241411","2020-10-21","18:00:00",""
"4131299","39.33","0.003","7.9638","0.0006","10.8208","0.0008","90","","93.2487","0.0015","90","","3383.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H46 Hf O Si3 -","- C36 H46 Hf O Si3 -","- C144 H184 Hf4 O4 Si12 -","4","1","","Dong, Zhaowen; Reinhold, Crispin R. W.; Schmidtmann, Marc; Müller, Thomas","A Stable Silylene with a σ<sup>2</sup>, π- Butadiene Ligand.","Journal of the American Chemical Society","2017","139","20","7117","7123","10.1021/jacs.7b03566","","","0.71073","MoKα","","0.0274","0.0246","","","0.0505","0.0512","","","","","","1.095","","","","has coordinates,has disorder","241531","2020-10-21","18:00:00",""
"4131673","26.6787","0.0002","6.1565","0.0003","17.006","0.0003","90","","123.668","0.004","90","","2324.67","0.16","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C88 H112 I4 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0427","0.0338","","","0.0709","0.0757","","","","","","1.022","","","","has coordinates","241846","2020-10-21","18:00:00",""
"4131676","23.701","0.004","6.8855","0.0011","16.964","0.003","90","","121.446","0.007","90","","2361.8","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H29 N O5 S2 Si -","- C19 H29 N O5 S2 Si -","- C76 H116 N4 O20 S8 Si4 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.0708","0.059","","","0.1513","0.162","","","","","","1.024","","","","has coordinates,has disorder","241849","2020-10-21","18:00:00",""
"4131900","25.7797","0.0005","34.9694","0.0006","12.4506","0.0002","90","","101.77","0.007","90","","10988.2","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C188 H142 Eu4 F36 N12 O35 -","- C188 H142 Eu4 F36 N12 O35 -","- C376 H284 Eu8 F72 N24 O70 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0211","0.0205","","","0.0512","0.0514","","","","","","1.025","","","","has coordinates","241992","2020-10-21","18:00:00",""
"4131901","33.7188","0.0006","32.0387","0.0006","22.5439","0.0004","90","","102.13","0.007","90","","23810.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0267","0.024","","","0.0485","0.0491","","","","","","0.984","","","","has coordinates,has disorder","241993","2020-10-21","18:00:00",""
"4131902","25.759","0.0005","35.1455","0.0006","12.463","0.0002","90","","102.001","0.007","90","","11036.3","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 F36 N12 O34 Sm4 -","- C184 H132 F36 N12 O34 Sm4 -","- C368 H264 F72 N24 O68 Sm8 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0268","0.0252","","","0.0534","0.0538","","","","","","1.023","","","","has coordinates","241994","2020-10-21","18:00:00",""
"4131903","25.7603","0.0005","35.035","0.0006","12.4435","0.0002","90","","101.626","0.007","90","","11000","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 Eu4 F36 N12 O34 -","- C184 H132 Eu4 F36 N12 O34 -","- C368 H264 Eu8 F72 N24 O68 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0228","0.0221","","","0.0498","0.05","","","","","","1.033","","","","has coordinates","241995","2020-10-21","18:00:00",""
"4131904","33.9451","0.0006","31.7821","0.0006","22.4739","0.0004","90","","102.275","0.007","90","","23691.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.046","0.0387","","","0.0792","0.0813","","","","","","0.978","","","","has coordinates,has disorder","241996","2020-10-21","18:00:00",""
"4131905","33.7309","0.0006","32.1542","0.0006","22.2394","0.0004","90","","101.685","0.007","90","","23620.8","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C187 H112 F36 N12 O44 Y4 -","- C187 H112 F36 N12 O44 Y4 -","- C748 H448 F144 N48 O176 Y16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0705","0.0512","","","0.1136","0.1197","","","","","","0.972","","","","has coordinates,has disorder","241997","2020-10-21","18:00:00",""
"4131910","20.747","0.004","20.747","0.004","14.67","0.003","90","","135","0.03","90","","4465","3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H4.6 O44.5 Zr6 -","- C44 H4.6 O44.4998 Zr6 -","- C88 H9.2 O88.9996 Zr12 -","2","0.5","","Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis.","Journal of the American Chemical Society","2018","140","6","2028","2031","10.1021/jacs.7b12913","","","0.6199","","","0.0766","0.0616","","","0.162","0.1791","","","","","","1.015","","","","has coordinates,has disorder","242002","2020-10-21","18:00:00",""
"4131921","15.317","0.006","8.924","0.003","16.982","0.006","90","","111.376","0.006","90","","2161.6","1.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N2 P -","- C27 H19 N2 P -","- C108 H76 N8 P4 -","4","1","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0657","","","","0.1343","","","","","","1.032","","","","has coordinates","242006","2020-10-21","18:00:00",""
"4131922","15.138","0.004","9.219","0.003","28.143","0.008","90","","100.742","0.005","90","","3859","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H13 N2 P -","- C19 H13 N2 P -","- C190 H130 N20 P10 -","10","2.5","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0762","","","","0.1658","","","","","","1.025","","","","has coordinates","242007","2020-10-21","18:00:00",""
"4131948","45.773","0.0005","7.9396","0.0001","13.4558","0.0001","90","","97.262","0.001","90","","4850.87","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C49.5 H55 N4 O12.5 S2 -","- C49.5 H55 N4 O12.5 S2 -","- C198 H220 N16 O50 S8 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0505","0.0406","","","0.1045","0.1104","","","","","","1.007","","","","has coordinates,has disorder","242018","2020-10-21","18:00:00",""
"4131957","47.826","0.002","21.1891","0.0009","27.0097","0.0012","90","","94.628","0.003","90","","27282","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C170 H142 Cl4 N8 O18.66667 -","- C170 H142 Cl4 N8 O18.6667 -","- C1020 H852 Cl24 N48 O112 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1762","0.1416","","","0.3379","0.3812","","","","","","1.131","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4131960","47.641","0.003","21.1704","0.001","27.0403","0.0012","90","","94.904","0.003","90","","27172","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C171.33333 H144.66667 Cl6.66667 N8 O24 -","- C171.333 H144.667 Cl6.66667 N8 O24 -","- C1028 H868 Cl40 N48 O144 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1669","0.1513","","","0.3637","0.3891","","","","","","1.185","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4132042","35.1167","0.0005","14.8989","0.0002","30.9479","0.0004","90","","101.33","0.001","90","","15876.4","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C128.45 H146.48 Br4.81 I12 N24 Zn6 -","- C128.444 H146.476 Br4.804 I12 N24 Zn6 -","- C513.776 H585.904 Br19.216 I48 N96 Zn24 -","4","1","","Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L.","Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs.","Journal of the American Chemical Society","2018","140","15","4986","4990","10.1021/jacs.8b00821","","","0.71075","MoKα","","0.0638","0.0565","","","0.1567","0.1625","","","","","","1.061","","","","has coordinates,has disorder","242084","2020-10-21","18:00:00",""
"4132063","15.8368","0.0006","11.3047","0.0003","14.2276","0.0005","90","","114.29","0.004","90","","2321.68","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H52 Au Cl5 N2 -","- C51 H52 Au Cl5 N2 -","- C102 H104 Au2 Cl10 N4 -","2","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0531","0.0531","","","0.1463","0.1463","","","","","","1.074","","","","has coordinates","242105","2020-10-21","18:00:00",""
"4132100","22.7031","0.0011","5.8682","0.0004","16.6098","0.0008","90","","107.064","0.005","90","","2115.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H23 Br N2 -","- C26 H23 Br N2 -","- C104 H92 Br4 N8 -","4","1","","Yin, Yanli; Dai, Yating; Jia, Hongshao; Li, Jiangtao; Bu, Liwei; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Conjugate Addition-Enantioselective Protonation of N-Aryl Glycines to α-Branched 2-Vinylazaarenes via Cooperative Photoredox and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","19","6083","6087","10.1021/jacs.8b01575","","x-ray","1.54184","CuKα","","0.0461","0.0407","","","0.0975","0.1021","","","","","","1.076","","","","has coordinates","242143","2020-10-21","18:00:00",""
"4132108","19.379","0.004","5.3296","0.0005","15.117","0.003","90","","111.02","0.02","90","","1457.4","0.5","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 O2 Si -","- C15 H18 O2 Si -","- C60 H72 O8 Si4 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","1.54184","CuKα","","0.1107","0.1014","","","0.2625","0.2829","","","","","","1.18","","","","has coordinates","242151","2020-10-21","18:00:00",""
"4132160","25.0443","0.0007","6.8179","0.0002","10.1504","0.0003","90","","96.3846","0.0009","90","","1722.43","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","NV472cr","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0353","0.0325","","","0.0772","0.0785","","","","","","1.057","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132289","34.1594","0.0008","8.4566","0.0002","15.1869","0.0003","90","","91.752","0.001","90","","4385.03","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C184 H224 N16 O16 S8 -","8","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0395","0.035","","","0.0935","0.097","","","","","","1.026","","","","has coordinates","242286","2020-10-21","18:00:00",""
"4132333","24.997","0.002","5.1956","0.0005","18.1896","0.0017","90","","104.221","0.003","90","","2290","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H19 Br O2 -","- C10 H19 Br O2 -","- C80 H152 Br8 O16 -","8","2","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","1.54184","CuKα","","0.0507","0.0484","","","0.1317","0.1332","","","","","","1.022","","","","has coordinates,has disorder","242317","2020-10-21","18:00:00",""
"4132335","13.6584","0.0011","5.684","0.0005","16.1484","0.0014","90","","109.058","0.006","90","","1184.95","0.18","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C52 H68 Br4 O8 -","4","1","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","0.71073","MoKα","","0.0193","0.0184","","","0.0476","0.048","","","","","","1.099","","","","has coordinates","242319","2020-10-21","18:00:00",""
"4132338","19.9556","0.0011","22.8307","0.0014","21.9438","0.0012","90","","91.054","0.002","90","","9995.9","1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H38 N2 O8 S2 Zn2 -","- C53 H38 N2 O8 S2 Zn2 -","- C318 H228 N12 O48 S12 Zn12 -","6","1.5","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.079","0.042","","","0.0852","0.0944","","","","","","1.021","","","","has coordinates","242322","2020-10-21","18:00:00",""
"4132381","33.63","0.004","7.9364","0.0009","20.078","0.003","90","","115.091","0.004","90","","4853.2","1.1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H34 N2 O2 -","- C31 H34 N2 O2 -","- C248 H272 N16 O16 -","8","2","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","0.71073","MoKα","","0.0804","0.0597","","","0.1465","0.1579","","","","","","1.036","","","","has coordinates","242364","2020-10-21","18:00:00",""
"4132444","18.829","0.0008","5.8347","0.0003","18.4856","0.0008","90","","98.902","0.002","90","","2006.39","0.16","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 F3 O10 -","- C15 H19 F3 O10 -","- C60 H76 F12 O40 -","4","1","","Zhou, Min; Ni, Chuanfa; Zeng, Yuwen; Hu, Jinbo","Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent.","Journal of the American Chemical Society","2018","140","22","6801","6805","10.1021/jacs.8b04000","","","1.54178","CuKα","","0.0779","0.0715","","","0.2193","0.2338","","","","","","1.069","","","","has coordinates,has disorder","242426","2020-10-21","18:00:00",""
"4132708","47.5683","0.0008","14.9566","0.0002","12.0028","0.0002","90","","94.586","0.001","90","","8512.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C159 H190 Hg4 I8 O36 S6 -","- C159 H190 Hg4 I8 O36 S6 -","- C318 H380 Hg8 I16 O72 S12 -","2","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1243","0.0757","","","0.1835","0.2155","","","","","","1.049","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132795","18.6672","0.0003","6.4223","0.0001","16.6077","0.0002","90","","90.374","0.001","90","","1990.99","0.05","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C96 H116 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0317","0.0313","","","0.0829","0.0837","","","","","","1.038","","","","has coordinates","242695","2020-10-21","18:00:00",""
"4133040","23.3289","0.0006","7.9711","0.0002","10.6124","0.0003","90","","110.47","0.001","90","","1848.84","0.09","100","","100.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0273","0.027","","","0.0696","0.07","","","","","","1.06","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133041","23.322","0.0006","7.9725","0.0002","10.6113","0.0003","90","","110.411","0.001","90","","1849.13","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0279","0.0273","","","0.0701","0.0706","","","","","","1.072","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133044","37.321","0.007","7.449","0.0015","16.822","0.003","90","","101.13","0.03","90","","4588.6","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H28 Cl N O2 -","- C28 H28 Cl N O2 -","- C224 H224 Cl8 N8 O16 -","8","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.67","synchrotron","","0.0803","0.0726","","","0.2002","0.208","","","","","","1.132","","","","has coordinates","242891","2020-10-21","18:00:00",""
"4133059","23.3952","0.0008","9.6647","0.0002","21.1827","0.0006","90","","114.928","0.004","90","","4343.4","0.3","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H33 I12 N3 Pb3 -","- C12 H33 I12 N3 Pb3 -","- C48 H132 I48 N12 Pb12 -","4","1","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0462","0.043","","","0.1186","0.1205","","","","","","1.007","","","","has coordinates","242906","2020-10-21","18:00:00",""
"4133431","27.392","0.003","8.3185","0.0007","18.8264","0.0019","90","","126.339","0.003","90","","3455.5","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 F3 O3 -","- C20 H17 F3 O3 -","- C160 H136 F24 O24 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0915","0.0601","","","0.1549","0.1744","","","","","","1.011","","","","has coordinates","243221","2020-10-21","18:00:00",""
"4133569","43.1347","0.0012","14.6175","0.0004","24.2886","0.0006","90","","102.937","0.0016","90","","14925.8","0.7","100","2","99.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72.5 H48.5 Cl7.5 N6 O12 -","- C72.5 H48.5 Cl7.5 N6 O12 -","- C580 H388 Cl60 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0878","0.0634","","","0.1585","0.1753","","","","","","0.979","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133830","25.5961","0.0019","22.5938","0.0019","17.288","0.002","90","","100.512","0.008","90","","9830.1","1.6","273","2","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C126 H24 Bi6 N2 O51 S36 -","- C126 H24 Bi6 N2 O51 S36 -","- C252 H48 Bi12 N4 O102 S72 -","2","0.5","","García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A","Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10261","","","1.54178","CuKα","","0.0758","0.0637","","","0.1917","0.2024","","","","","","1.052","","","","has coordinates,has disorder","245528","2020-10-21","18:00:00",""
"4133931","27.1253","0.0012","6.6649","0.0002","12.131","0.0006","90","","119.012","0.006","90","","1917.93","0.18","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 B N O4 -","- C19 H26 B N O4 -","- C76 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0463","0.046","","","0.1273","0.1275","","","","","","1.076","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133953","23.3237","0.0011","6.7691","0.0003","13.9148","0.0005","90","","116.158","0.004","90","","1971.87","0.16","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19.5 H19 Cl N2 O3 S2 -","- C19.5 H19 Cl N2 O3 S2 -","- C78 H76 Cl4 N8 O12 S8 -","4","1","","Li, Xiaolu; Chi, Lu-Ping; Navarro-Vázquez, Armando; Hwang, Songhwan; Schmieder, Peter; Li, Xiao-Ming; Li, Xin; Yang, Sui-Qun; Lei, Xinxiang; Wang, Bin-Gui; Sun, Han","Stereochemical Elucidation of Natural Products from Residual Chemical Shift Anisotropies in a Liquid Crystalline Phase.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10961","","","1.54178","CuKα","","0.0767","0.0649","","","0.1728","0.1859","","","","","","1.047","","","","has coordinates","246842","2020-10-21","18:00:00",""
"4134262","32.471","0.01","6.632","0.002","16.071","0.006","90","","113.844","0.009","90","","3165.5","1.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H50 O7 -","- C34 H50 O7 -","- C136 H200 O28 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.1317","0.0611","","","0.1199","0.153","","","","","","1.044","","","","has coordinates,has disorder","248499","2020-10-21","18:00:00",""
"4134280","25.1842","0.0005","8.738","0.0002","32.9196","0.0007","90","","110.546","0.002","90","","6783.5","0.3","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H120 F24 I26 N12 Pb7 -","- C60 H120 F24 I26 N12 Pb7 -","- C120 H240 F48 I52 N24 Pb14 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1165","0.0936","","","0.2644","0.2828","","","","","","1.107","","","","has coordinates","248547","2020-10-21","18:00:00",""
"4134426","20.475","0.002","7.6092","0.0008","12.4167","0.0013","90","","124.988","0.002","90","","1584.9","0.3","130","","130","","","","","","","","Leonidas Dimitrios Syntrivanis","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O -","- C16 H25 N3 O -","- C64 H100 N12 O4 -","4","1","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.028","0.028","","","0.0739","0.074","","","","","","1.057","","","","has coordinates","250082","2020-10-21","18:00:00",""
"4134675","18.6068","0.0014","7.2917","0.0006","20.2774","0.0015","90","","110.916","0.002","90","","2569.9","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H26 I2 N O2 P -","- C28 H26 I2 N O2 P -","- C112 H104 I8 N4 O8 P4 -","4","1","","Yan, Shengyi; Xia, Wang; Li, Shaoyu; Song, Qiuling; Xiang, Shao-Hua; Tan, Bin","Michael Reaction Inspired Atroposelective Construction of Axially Chiral Biaryls.","Journal of the American Chemical Society","2020","142","16","7322","7327","10.1021/jacs.0c01963","","x-ray","0.71073","MoKα","","0.0557","0.0501","","","0.1168","0.1197","","","","","","1.025","","","","has coordinates","251453","2020-10-21","18:00:00",""
"4134699","23.866","0.002","6.6629","0.0006","13.5743","0.0011","90","","94.136","0.003","90","","2152.9","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","","1.54178","CuKα","","0.0331","0.0324","","","0.0863","0.0874","","","","","","1.045","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134713","29.794","0.002","19.1363","0.0013","16.7518","0.0011","90","","113.055","0.002","90","","8788.1","1","288","2","288","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H106 Cl O14 P2 Pd2 -","- C82 H106 Cl O14 P2 Pd2 -","- C328 H424 Cl4 O56 P8 Pd8 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0722","0.0535","","","0.138","0.1619","","","","","","1.089","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134726","24.6919","0.0015","7.6839","0.0004","9.7357","0.0006","90","","91.381","0.006","90","","1846.62","0.19","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0352","0.0338","","","0.0855","0.0864","","","","","","1.063","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134815","8.4121","0.0008","8.4176","0.0009","15.9228","0.0019","90","","89.983","0.004","90","","1127.5","0.2","293","2","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H22 Br7 N4 Pb2 -","- C13 Br7 N Pb2 -","- C26 Br14 N2 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0473","0.0443","","","0.1365","0.1419","","","","","","1.104","","","","has coordinates","251232","2020-10-21","18:00:00",""
"4134918","31.216","0.003","8.4388","0.0008","8.5385","0.0008","90","","93.3905","0.0017","90","","2245.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H28 Br Cl N3 O1.5 -","- C23 H28 Br Cl N3 O1.5 -","- C92 H112 Br4 Cl4 N12 O6 -","4","1","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0377","0.0327","","","0.0621","0.0636","","","","","","1.042","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4135108","23.196","0.004","23.143","0.005","16.933","0.003","90","","117.36","0.004","90","","8073","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.0932","0.0714","","","0.1793","0.1941","","","","","","1.017","","","","has coordinates","254189","2020-10-21","18:00:00",""
"4135109","23.205","0.008","23.187","0.008","16.965","0.005","90","","117.28","0.007","90","","8113","5","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1503","0.0817","","","0.1938","0.2375","","","","","","1.005","","","","has coordinates","254190","2020-10-21","18:00:00",""
"4135110","23.256","0.006","23.214","0.006","17.011","0.004","90","","116.955","0.007","90","","8186","4","250","2","250","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1685","0.0941","","","0.2098","0.246","","","","","","1.02","","","","has coordinates","254191","2020-10-21","18:00:00",""
"4135111","23.292","0.008","23.257","0.008","16.959","0.006","90","","117.11","0.007","90","","8177","5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1266","0.0827","","","0.2043","0.2428","","","","","","1.036","","","","has coordinates","254192","2020-10-21","18:00:00",""
"4135113","12.7314","0.0008","14.6585","0.0008","15.0308","0.0011","90","","102.22","0.007","90","","2741.5","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","1","","","- C30 H21 Cl2 N6 O4 -","- C30 H21 Cl2 N6 O4 -","- C120 H84 Cl8 N24 O16 -","4","1","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.2213","0.1583","","","0.4739","0.5385","","","","","","1.59","","","","has coordinates","254318","2020-10-21","18:00:00",""
"4135226","18.123","0.003","9.381","0.002","12.241","0.003","90","","119.36","0.02","90","","1813.8","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H35 Li N2 -","- C19 H35 Li N2 -","- C76 H140 Li4 N8 -","4","1","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.029","0.029","","","","0.034","","","","","","2.36","","","","has coordinates","255844","2020-10-21","18:00:00",""
"4135269","24.146","0.001","9.8138","0.0004","7.8489","0.0003","90","","91.965","0.004","90","","1858.81","0.13","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Cl2 Fe I N Pb -","- C14 H20 Cl2 Fe I N Pb -","- C56 H80 Cl8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0441","0.0357","","","0.1007","0.1035","","","","","","1.102","","","","has coordinates","258709","2020-11-04","01:23:00",""
"4135270","25.8959","0.0016","10.0928","0.0005","7.944","0.0004","90","","93.798","0.005","90","","2071.7","0.19","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Fe I3 N Pb -","- C14 H20 Fe I3 N Pb -","- C56 H80 Fe4 I12 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0637","0.0611","","","0.1742","0.1764","","","","","","1.099","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135271","25.248","0.003","10.0268","0.0007","7.9347","0.0007","90","","92.55","0.009","90","","2006.7","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Br2 Fe I N Pb -","- C14 H20 Br2 Fe I N Pb -","- C56 H80 Br8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0499","0.0468","","","0.1324","0.1341","","","","","","1.128","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135333","27.8647","0.0009","8.5749","0.0003","12.588","0.0004","90","","94.3636","0.0013","90","","2999.02","0.17","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H38 O11 -","- C29 H38 O11 -","- C116 H152 O44 -","4","1","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.54178","CuKα","","0.046","0.0442","","","0.1053","0.1065","","","","","","1.119","","","","has coordinates","259525","2020-12-04","02:23:41",""
"4135365","16.0085","0.0003","7.8446","0.0002","16.2448","0.0004","90","","93.22","0.001","90","","2036.81","0.08","170","2","169.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H28 N O2 P -","- C21 H28 N O2 P -","- C84 H112 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0391","0.0366","","","0.0946","0.097","","","","","","1.056","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4301200","22.3773","0.0005","11.3226","0.0004","20.5795","0.0007","90","","92.895","0.002","90","","5207.6","0.3","210","1","210","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H48 B2 F8 Fe N4 P2 -","- C56 H48 B2 F8 Fe N4 P2 -","- C224 H192 B8 F32 Fe4 N16 P8 -","4","1","","Christine Sui-Seng; F. Nipa Haque; Alen Hadzovic; Anna-Maria Pütz; Valerie Reuss; Nils Meyer; Alan J. Lough; Marco Zimmer-De Iuliis; Robert H. Morris","Synthesis and Characterization of Iron(II) Complexes with Tetradentate Diiminodiphosphine or Diaminodiphosphine Ligands as Precatalysts for the Hydrogenation of Acetophenone","Inorganic Chemistry","2009","48","","735","743","10.1021/ic801518h","","","0.71073","MoKα","","0.0903","0.0609","","","0.1451","0.1597","","","","","","1.027","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301204","19.5706","0.0004","16.6197","0.0004","12.7137","0.0003","90","","129.997","0.001","90","","3167.92","0.13","150","1","150","1","","","","","","","synthesized by the authors","6","C 1 2 1","C 2y","5","","","","- C40 H109 Br3 N10 Na O36.5 -","- C40 H68 Br3 N10 Na O16 -","- C80 H136 Br6 N20 Na2 O32 -","2","0.5","","Miloslav Polášek; Miroslava Šedinová; Jan Kotek; Luce Vander Elst; Robert N. Muller; Petr Hermann; Ivan Lukeš","Pyridine-N-oxide Analogues of DOTA and Their Gadolinium(III) Complexes Endowed with a Fast Water Exchange on the Square-Antiprismatic Isomer","Inorganic Chemistry","2009","48","","455","465","10.1021/ic801596v","","","0.71073","MoKα","","0.0547","0.0489","","","0.1357","0.1398","","","","","","1.037","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4301462","15.287","0.002","6.1941","0.0009","4.6631","0.0007","90","","95.558","0.002","90","","439.47","0.11","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C1.5 H1.5 Gd N0.5 O5 -","- C1.5 H2.21 Gd N0.442 O4.942 -","- C6 H8.84 Gd4 N1.768 O19.768 -","4","1","","David L. Rogow; Claudia H. Swanson; Allen G. Oliver; Scott R. J. Oliver","Two Related Gadolinium Aquo Carbonate 2-D and 3-D Structures and Their Thermal, Spectroscopic, and Paramagnetic Properties","Inorganic Chemistry","2009","48","","1533","1541","10.1021/ic801844b","","","0.7749","synchrotron","","0.0451","0.0351","","","0.0852","0.0934","","","","","","1.173","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301534","33.989","0.002","10.0683","0.0005","13.4933","0.0009","90","","97.319","0.008","90","","4579.9","0.5","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(rubidium 18-crown-6) catena-trihydrogentriphosphide ammonia(1/7.5)","","- C24 H73.5 N7.5 O12 P3 Rb2 -","- C24 H71 N7.5 O12 P3 Rb2 -","- C96 H284 N30 O48 P12 Rb8 -","4","1","","Florian Kraus; Jürgen C. Aschenbrenner; T. Klamroth; Nikolaus Korber","Hydrogen Polyphosphides P3H23- and P3H32-: Synthesis and Crystal Structure of K3(P3H2).2.3NH3, Rb3(P3H2).NH3, [Rb(18-crown-6)]2(P3H3).7.5NH3, and [Cs(18-crown-6)]2(P3H3).7NH3","Inorganic Chemistry","2009","48","","1911","1919","10.1021/ic8014546","","x-ray","0.71073","MoKα","","0.0289","0.0266","","","0.0615","0.0648","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301639","19.6098","0.0014","7.9168","0.0006","10.8334","0.0008","90","","98.633","0.006","90","","1662.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H40 N6 O15 Zn2 -","- C26 H40 N6 O15 Zn2 -","- C52 H80 N12 O30 Zn4 -","2","0.5","","Snehadrinarayan Khatua; Shin Hei Choi; Junseong Lee; Jung Oh Huh; Youngkyu Do; David G. Churchill","Highly Selective Fluorescence Detection of Cu2+ in Water by Chiral Dimeric Zn2+ Complexes through Direct Displacement","Inorganic Chemistry","2009","48","","1799","1801","10.1021/ic802314u","","","0.71073","MoKα","","0.0579","0.0382","","","0.0708","0.0777","","","","","","0.989","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301640","17.1452","0.0007","8.7748","0.0004","23.3633","0.001","90","","94.655","0.002","90","","3503.3","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H36 Cl Cu2 N4 Na O12 -","- C26 H32 Cl Cu2 N4 Na O12 -","- C104 H128 Cl4 Cu8 N16 Na4 O48 -","4","1","","Snehadrinarayan Khatua; Shin Hei Choi; Junseong Lee; Jung Oh Huh; Youngkyu Do; David G. Churchill","Highly Selective Fluorescence Detection of Cu2+ in Water by Chiral Dimeric Zn2+ Complexes through Direct Displacement","Inorganic Chemistry","2009","48","","1799","1801","10.1021/ic802314u","","","0.71073","MoKα","","0.0773","0.065","","","0.1805","0.1978","","","","","","1.076","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4301687","16.139","0.003","7.437","0.002","13.696","0.003","90","","116.91","0.03","90","","1465.9","0.7","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H27 N3 O P2 Se2 -","- C29 H27 N3 O P2 Se2 -","- C58 H54 N6 O2 P4 Se4 -","2","0.5","","Jhon A. Balanta-Díaz; Mónica Moya-Cabrera; Vojtech Jancik; Leslie W. Pineda-Cedeño; Rubén A. Toscano; Raymundo Cea-Olivares","Structural Variety of Alkali Metal Compounds Containing P-E-M (E = S, Se; M = Li, Na, K) Units Derived from Nitrogen Rich Heterocycles","Inorganic Chemistry","2009","48","","2518","2525","10.1021/ic801950q","","","0.71073","MoKα","","0.0505","0.0442","","","0.0969","0.1005","","","","","","0.999","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4301707","26.856","0.0007","12.9317","0.0004","13.5287","0.0003","90","","106.563","0.002","90","","4503.5","0.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H72 N24 O74 P4 Pu4 -","- C36 H52 N24 O74 P4 Pu4 -","- C72 H104 N48 O148 P8 Pu8 -","2","0.5","","Grigory Andreev; Nina Budantseva; Marina Sokolova; Ivan Tananaev; Boris Myasoedov","Interaction of Transuranium Elements with Biologically Important Ligands: Structural and Spectroscopic Evidence for Nucleotide Coordination to Plutonium","Inorganic Chemistry","2009","48","","2343","2345","10.1021/ic802053s","","","0.71073","MoKα","","0.0621","0.0444","","","0.1097","0.1205","","","","","","1","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301825","18.3133","0.0013","8.4505","0.0007","11.2021","0.0008","90","","90.115","0.006","90","","1733.6","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H48 Cl2 N4 O11 Zn2 -","- C28 H48 Cl2 N4 O11 Zn2 -","- C56 H96 Cl4 N8 O22 Zn4 -","2","0.5","","Snehadrinarayan Khatua; Shin Hei Choi; Junseong Lee; Kibong Kim; Youngkyu Do; David G. Churchill","Aqueous Fluorometric and Colorimetric Sensing of Phosphate Ions by a Fluorescent Dinuclear Zinc Complex","Inorganic Chemistry","2009","48","","2993","2999","10.1021/ic8022387","","","0.71073","MoKα","","0.0699","0.0442","","","0.1068","0.1282","","","","","","1.055","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301931","24.8548","0.0019","13.8673","0.0011","33.59","0.003","90","","98.38","0.001","90","","11453.8","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C245 H264 N16 O39 V8 -","- C245 H256 N16 O39 V8 -","- C490 H512 N32 O78 V16 -","2","0.5","","Pedro Adão; João Costa Pessoa; Rui T. Henriques; Maxim L. Kuznetsov; Fernando Avecilla; Mannar R. Maurya; Umesh Kumar; Isabel Correia","Synthesis, Characterization, and Application of Vanadium-Salan Complexes in Oxygen Transfer Reactions","Inorganic Chemistry","2009","48","","3542","3561","10.1021/ic8017985","","","0.71073","MoKα","","0.1125","0.067","","","0.1629","0.1852","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4301981","19.5412","0.0008","6.3313","0.0003","15.5369","0.0006","90","","98.288","0.004","90","","1902.17","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H52 N2 O2 S2 -","- C42 H52 N2 O2 S2 -","- C84 H104 N4 O4 S4 -","2","0.5","","Nabarun Roy; Stephen Sproules; Thomas Weyhermüller; Karl Wieghardt","Trivalent Iron and Ruthenium Complexes with a Redox Noninnocent (2-Mercaptophenylimino)-methyl-4,6-di-tert-butylphenolate(2-) Ligand","Inorganic Chemistry","2009","48","","3783","3791","10.1021/ic8023716","","","0.71073","MoKα","","0.0302","0.0293","","","0.0757","0.0763","","","","","","1.059","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302716","37.2403","0.0008","8.3633","0.0002","18.0518","0.0005","90","","112.831","0.0007","90","","5181.8","0.2","140","1","140","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H28 I Ni2 S8 -","- C16 H28 I Ni2 S8 -","- C128 H224 I8 Ni16 S64 -","8","2","","Minoru Mitsumi; Yuji Yoshida; Akihisa Kohyama; Yasutaka Kitagawa; Yoshiki Ozawa; Mototada Kobayashi; Koshiro Toriumi; Makoto Tadokoro; Naoshi Ikeda; Mitsutaka Okumura; Mohamedally Kurmoo","Syntheses, Structures and Solid-State Properties of MMX Mixed-Valence Chains, [NiII/III2(RCS2)4I]∞(R = Et,n-Pr andn-Bu): Evidence of a Spin-Peierls Transition","Inorganic Chemistry","2009","48","","6680","6691","10.1021/ic900630a","","","0.71075","MoKα","","0.0349","0.0309","","","0.0761","0.0785","","","","","","1.062","","","","has coordinates,has disorder","179065","2020-10-21","18:00:00",""
"4302719","37.072","0.001","8.355","0.001","17.987","0.001","90","","113.281","0.001","90","","5117.6","0.7","31","1","31","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H28 I Ni2 S8 -","- C16 H28 I Ni2 S8 -","- C128 H224 I8 Ni16 S64 -","8","2","","Minoru Mitsumi; Yuji Yoshida; Akihisa Kohyama; Yasutaka Kitagawa; Yoshiki Ozawa; Mototada Kobayashi; Koshiro Toriumi; Makoto Tadokoro; Naoshi Ikeda; Mitsutaka Okumura; Mohamedally Kurmoo","Syntheses, Structures and Solid-State Properties of MMX Mixed-Valence Chains, [NiII/III2(RCS2)4I]∞(R = Et,n-Pr andn-Bu): Evidence of a Spin-Peierls Transition","Inorganic Chemistry","2009","48","","6680","6691","10.1021/ic900630a","","","0.564","synchrotron","","0.0363","0.0361","","","0.1035","0.1036","","","","","","1.141","","","","has coordinates,has disorder","179065","2020-10-21","18:00:00",""
"4302825","28.188","0.002","10.3537","0.0007","17.5606","0.0014","90","","106.209","0.003","90","","4921.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","[PhC(H)NNMo(N[t-Bu]Ar)3]2","","","- C102 H152 Mo2 N10 O4 -","- C102 H152 Mo2 N10 O4 -","- C204 H304 Mo4 N20 O8 -","2","0.5","","John J. Curley; Tetsuro Murahashi; Christopher C. Cummins","Synthesis and Reversible Reductive Coupling of Cationic, Dinitrogen-Derived Diazoalkane Complexes","Inorganic Chemistry","2009","48","","7181","7193","10.1021/ic900495s","","","0.71073","MoKα","","0.0553","0.0446","","","0.1028","0.1091","","","","","","1.066","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4302884","21.111","0.002","5.2639","0.0006","7.0475","0.0008","90","","101.277","0.002","90","","768.04","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H24 Br3 N4 Pd -","- C8 H24 Br3 N4 Pd -","- C16 H48 Br6 N8 Pd2 -","2","0.5","","Mari Sasaki; Hashen Wu; Daisuke Kawakami; Shinya Takaishi; Takashi Kajiwara; Hitoshi Miyasaka; Brian K. Breedlove; Masahiro Yamashita; Hideo Kishida; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hisaaki Tanaka; Shinichi Kuroda","Effect of an In-Plane Ligand on the Electronic Structures of Bromo-Bridged Nano-Wire Ni-Pd Mixed-Metal Complexes, [Ni1-xPdx(bn)2Br]Br2 (bn = 2S,3S-Diaminobutane)","Inorganic Chemistry","2009","48","","7446","7451","10.1021/ic901067z","","","0.71073","MoKα","","0.0306","0.0295","","","0.0755","0.076","","","","","","1.081","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4303275","23.924","0.002","9.7748","0.0009","8.7819","0.0008","90","","92.053","0.006","90","","2052.3","0.3","296","2","296","2","","","","","","","Synthesized","5","C 1 2 1","C 2y","5","","","","- C36 H45 Cu N7 O6 -","- C36 H45 Cu N7 O6 -","- C72 H90 Cu2 N14 O12 -","2","0.5","","Mrigendra Dubey; Rik Rani Koner; Manabendra Ray","Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand","Inorganic Chemistry","2009","48","","9294","9302","10.1021/ic9011444","","","0.71073","MoKα","","0.0511","0.0374","","","0.0755","0.0804","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303489","30.9591","0.0009","15.4042","0.0003","21.1507","0.0006","90","","117.241","0.002","90","","8968","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H42 Fe2 N2 O4 -","- C52 H42 Fe2 N2 O4 -","- C416 H336 Fe16 N16 O32 -","8","2","","Gudrun Goretzki; E. Stephen Davies; Stephen P. Argent; John E. Warren; Alexander J. Blake; Neil R. Champness","Building Multistate Redox-Active Architectures Using Metal-Complex Functionalized Perylene Bis-imides","Inorganic Chemistry","2009","48","","10264","10274","10.1021/ic901379d","","","0.71073","MoKα","","0.108","0.0966","","","0.259","0.269","","","","","","1.03","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4304023","21.4504","0.0006","5.6699","0.0002","7.7774","0.0002","90","","106.423","0.001","90","","907.31","0.05","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C15 H16 Au2 Cl2 S2 -","- C15 H16 Au2 Cl2 S2 -","- C30 H32 Au4 Cl4 S4 -","2","0.5","","Mohamed Osman Awaleh; François Baril-Robert; Christian Reber; Antonella Badia; François Brisse","Gold(I)-Dithioether Supramolecular Polymers: Synthesis, Characterization, and Luminescence","Inorganic Chemistry","2008","47","","2964","2974","10.1021/ic701275k","","","1.54178","CuKα","","0.1019","0.1014","","","0.2372","0.2379","","","","","","1.195","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304343","8.635","0.002","8.3357","0.0019","10.187","0.002","90","","92.002","0.004","90","","732.8","0.3","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H14 Cl O12 Tb -","- C6 H14 Cl O12 Tb -","- C12 H28 Cl2 O24 Tb2 -","2","0.5","","Qiong Ye; Da-Wei Fu; Hang Tian; Ren-Gen Xiong; Philip Wai Hong Chan; Songping D. Huang","Multiferroic Homochiral Metal-Organic Framework","Inorganic Chemistry","2008","47","","772","774","10.1021/ic701828w","","","0.71073","MoKα","","0.0476","0.0473","","","0.1341","0.1342","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304344","8.658","0.0015","8.3628","0.0015","10.2187","0.0018","90","","91.933","0.002","90","","739.5","0.2","291","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C6 H10 Cl D4 O12 Tb -","- C6 H10 Cl D4 O12 Tb -","- C12 H20 Cl2 D8 O24 Tb2 -","2","0.5","","Qiong Ye; Da-Wei Fu; Hang Tian; Ren-Gen Xiong; Philip Wai Hong Chan; Songping D. Huang","Multiferroic Homochiral Metal-Organic Framework","Inorganic Chemistry","2008","47","","772","774","10.1021/ic701828w","","","0.71073","MoKα","","0.0465","0.046","","","0.1009","0.101","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304864","22.0865","0.0018","13.0993","0.0012","20.235","0.0015","90","","98.219","0.008","90","","5794.2","0.8","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53.5 H72 N6 O2 Si4 Sm2 -","- C53.5 H72 N6 O2 Si4 Sm2 -","- C214 H288 N24 O8 Si16 Sm8 -","4","1","","Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi","Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization","Inorganic Chemistry","2008","47","","4319","4328","10.1021/ic702461f","","","0.7107","MoKα","","0.0363","0.0294","","","0.0461","0.0484","","","","","","0.779","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304966","12.577","0.007","15.32","0.007","8.17","0.004","90","","116.062","0.006","90","","1414.1","1.2","294.15","","294.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H28 Cd3 N30 O2 -","- C12 H28 Cd3 N30 O2 -","- C24 H56 Cd6 N60 O4 -","2","0.5","","Rui-Bo Zhang; Zhao-Ji Li; Ye-Yan Qin; Jian-Kai Cheng; Jian Zhang; Yuan-Gen Yao","Synthesis, Structure, and Physical Properties of a New Anions-Controlled Cd(II)-Guanazole (3,5-Diamino-1,2,4-triazole) Hybrid Family","Inorganic Chemistry","2008","47","","4861","4876","10.1021/ic8001042","","","0.71073","MoKα","","0.0243","0.0227","","","0.0474","0.0484","","","","","","1.006","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305013","18.976","0.0003","12.3214","0.0002","14.054","0.0003","90","","105.619","0.001","90","","3164.64","0.1","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H42 Fe2 N2 O8 -","- C33 H40 Fe2 N2 O8 -","- C132 H160 Fe8 N8 O32 -","4","1","","Jian Zhang; Emily Chew; Shumei Chen; Jimmy T. H. Pham; Xianhui Bu","Three-Dimensional Homochiral Transition-Metal Camphorate Architectures Directed by a Flexible Auxiliary Ligand","Inorganic Chemistry","2008","47","","3495","3497","10.1021/ic800195u","","","0.71073","MoKα","","0.0717","0.0505","","","0.1232","0.1329","","","","","","1.022","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305014","19.0446","0.0006","12.2585","0.0004","14.0227","0.0004","90","","106.48","0.002","90","","3139.23","0.17","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H42 Co2 N2 O8 -","- C33 H40 Co2 N2 O8 -","- C132 H160 Co8 N8 O32 -","4","1","","Jian Zhang; Emily Chew; Shumei Chen; Jimmy T. H. Pham; Xianhui Bu","Three-Dimensional Homochiral Transition-Metal Camphorate Architectures Directed by a Flexible Auxiliary Ligand","Inorganic Chemistry","2008","47","","3495","3497","10.1021/ic800195u","","","0.71073","MoKα","","0.0645","0.0491","","","0.1204","0.127","","","","","","0.986","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305019","20.891","0.002","11.7396","0.0012","17.9669","0.0018","90","","120.281","0.002","90","","3805.2","0.7","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H70 Cl7 La N12 Ni2 O20 P2 S2 -","- C56 H70 Cl7 La N12 Ni2 O20 P2 S2 -","- C112 H140 Cl14 La2 N24 Ni4 O40 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","mokα","","0.0454","0.0435","","","0.1223","0.124","","","","","","1.071","","","","has coordinates","189754","2020-10-21","18:00:00",""
"4305020","20.841","0.002","11.7806","0.0011","18.1005","0.0017","90","","121.333","0.002","90","","3795.9","0.6","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H70 Ce Cl7 N12 Ni2 O20 P2 S2 -","- C56 H70 Ce Cl7 N12 Ni2 O20 P2 S2 -","- C112 H140 Ce2 Cl14 N24 Ni4 O40 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0565","0.0502","","","0.1277","0.1328","","","","","","1.046","","","","has coordinates","189754","2020-10-21","18:00:00",""
"4305021","20.732","0.004","11.7097","0.0018","18.009","0.004","90","","121.097","0.005","90","","3743.7","1.3","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H70 Cl7 N12 Ni2 O20 P2 Pr S2 -","- C56 H70 Cl7 N12 Ni2 O20 P2 Pr S2 -","- C112 H140 Cl14 N24 Ni4 O40 P4 Pr2 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0425","0.0385","","","0.0977","0.0998","","","","","","1.024","","","","has coordinates,has disorder","189754","2020-10-21","18:00:00",""
"4305022","20.9618","0.0018","11.7588","0.0011","17.9361","0.0016","90","","120.633","0.002","90","","3804","0.6","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H70 Cl7 N12 Nd Ni2 O20 P2 S2 -","- C56 H70 Cl7 N12 Nd Ni2 O20 P2 S2 -","- C112 H140 Cl14 N24 Nd2 Ni4 O40 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0465","0.0425","","","0.1153","0.1234","","","","","","1.083","","","","has coordinates","189754","2020-10-21","18:00:00",""
"4305023","21.224","0.002","11.8162","0.0012","17.9516","0.0018","90","","120.854","0.002","90","","3864.9","0.7","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H70 Cl7 N12 Ni2 O20 P2 S2 Sm -","- C56 H70 Cl7 N12 Ni2 O20 P2 S2 Sm -","- C112 H140 Cl14 N24 Ni4 O40 P4 S4 Sm2 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0534","0.0473","","","0.1223","0.1271","","","","","","1.061","","","","has coordinates","189754","2020-10-21","18:00:00",""
"4305024","20.993","0.002","11.7696","0.0012","17.8973","0.0018","90","","120.896","0.002","90","","3794.6","0.7","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H70 Cl7 Eu N12 Ni2 O20 P2 S2 -","- C56 H70 Cl7 Eu N12 Ni2 O20 P2 S2 -","- C112 H140 Cl14 Eu2 N24 Ni4 O40 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0391","0.0371","","","0.1072","0.1088","","","","","","1.065","","","","has coordinates","189754","2020-10-21","18:00:00",""
"4305025","20.818","0.005","11.71","0.005","17.861","0.005","90","0.005","120.9","0.005","90","0.005","3736","2","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C58 H74 Cl7 Gd N12 Ni2 O20 P2 S2 -","- C58 H74 Cl7 Gd N12 Ni2 O20 P2 S2 -","- C116 H148 Cl14 Gd2 N24 Ni4 O40 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71069","MoKα","","0.0377","0.0361","","","0.0857","0.0867","","","","","","1.016","","","","has coordinates","189754","2020-10-21","18:00:00",""
"4305026","20.8515","0.0013","11.7155","0.0006","17.8249","0.0012","90","","120.809","0.002","90","","3739.9","0.4","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H74 Cl7 N12 Ni2 O22 P2 S2 Tb -","- C56 H74 Cl7 N12 Ni2 O22 P2 S2 Tb -","- C112 H148 Cl14 N24 Ni4 O44 P4 S4 Tb2 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0425","0.0388","","","0.0927","0.0956","","","","","","1.057","","","","has coordinates,has disorder","189754","2020-10-21","18:00:00",""
"4305027","20.8539","0.0013","11.7507","0.0006","17.8638","0.0012","90","","121.267","0.002","90","","3741.7","0.4","110","2","110","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C57 H70 Cl7 Dy N12 Ni2 O19 P2 S2 -","- C57 H70 Cl7 Dy N12 Ni2 O19 P2 S2 -","- C114 H140 Cl14 Dy2 N24 Ni4 O38 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0338","0.0327","","","0.087","0.0877","","","","","","1.052","","","","has coordinates,has disorder","189754","2020-10-21","18:00:00",""
"4305028","21.055","0.003","11.7993","0.0013","17.816","0.002","90","","121.178","0.003","90","","3786.8","0.8","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H70 Cl7 Ho N12 Ni2 O20 P2 S2 -","- C56 H70 Cl7 Ho N12 Ni2 O20 P2 S2 -","- C112 H140 Cl14 Ho2 N24 Ni4 O40 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0496","0.0447","","","0.1157","0.122","","","","","","1.059","","","","has coordinates","189754","2020-10-21","18:00:00",""
"4305029","20.884","0.0018","11.7482","0.0008","17.7621","0.0016","90","","121.083","0.002","90","","3732.2","0.5","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H72 Cl7 Er N12 Ni2 O21 P2 S2 -","- C56 H71.96 Cl7 Er N12 Ni2 O20.98 P2 S2 -","- C112 H143.92 Cl14 Er2 N24 Ni4 O41.96 P4 S4 -","2","0.5","","Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac","Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior","Inorganic Chemistry","2008","47","","4918","4929","10.1021/ic800199x","","","0.71073","MoKα","","0.0316","0.0303","","","0.08","0.0806","","","","","","1.045","","","","has coordinates,has disorder","189754","2020-10-21","18:00:00",""
"4305249","15.889","0.002","6.2597","0.0008","11.0006","0.0014","90","","100.484","0.002","90","","1075.9","0.2","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H24 Ag F6 N4 P -","- C18 H24 Ag F6 N4 P -","- C36 H48 Ag2 F12 N8 P2 -","2","0.5","","Emerson D. Genuis; Joel A. Kelly; Malay Patel; Robert McDonald; Michael J. Ferguson; Grace Greidanus-Strom","Coordination Polymers from the Self-Assembly of Silver(I) Salts and Two Nonlinear Aliphatic Dinitrile Ligands, cis-1,3-Cyclopentanedicarbonitrile and cis-1,3-Bis(cyanomethyl)cyclopentane: Synthesis, Structures, and Photoluminescent Properties","Inorganic Chemistry","2008","47","","6184","6194","10.1021/ic800069f","","","0.71073","MoKα","","0.0297","0.0295","","","0.0796","0.0798","","","","","","1.083","","","","has coordinates,has disorder","179090","2020-10-21","18:00:00",""
"4305402","21.0446","0.0018","13.7315","0.0015","9.1291","0.001","90","","104.15","0.004","90","","2558","0.5","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H24 Cu2 N2 O8 -","- C22 H24 Cu2 N2 O8 -","- C88 H96 Cu8 N8 O32 -","4","1","","Banglin Chen; Yanyan Ji; Ming Xue; Frank R. Fronczek; Eric J. Hurtado; Jalal U. Mondal; Chengdu Liang; Sheng Dai","Metal-Organic Framework with Rationally Tuned Micropores for Selective Adsorption of Water over Methanol","Inorganic Chemistry","2008","47","","5543","5545","10.1021/ic8004008","","","0.71073","MoKα","","0.0463","0.038","","","0.0935","0.0964","","","","","","1.013","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305403","20.9834","0.0004","13.6998","0.0002","9.1183","0.0002","90","","103.897","0.001","90","","2544.5","0.08","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H24 Cu2 N2 O8 -","- C22 H24 Cu2 N2 O8 -","- C88 H96 Cu8 N8 O32 -","4","1","","Banglin Chen; Yanyan Ji; Ming Xue; Frank R. Fronczek; Eric J. Hurtado; Jalal U. Mondal; Chengdu Liang; Sheng Dai","Metal-Organic Framework with Rationally Tuned Micropores for Selective Adsorption of Water over Methanol","Inorganic Chemistry","2008","47","","5543","5545","10.1021/ic8004008","","","1.54178","CuKα","","0.0326","0.0319","","","0.0851","0.0857","","","","","","0.999","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305404","20.9211","0.0003","13.7081","0.0003","9.1075","0.0002","90","","103.665","0.002","90","","2537.99","0.09","90","","90","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H25.52 Cu2 N2 O8.76 -","- C22 H24 Cu2 N2 O8.767 -","- C88 H96 Cu8 N8 O35.068 -","4","1","","Banglin Chen; Yanyan Ji; Ming Xue; Frank R. Fronczek; Eric J. Hurtado; Jalal U. Mondal; Chengdu Liang; Sheng Dai","Metal-Organic Framework with Rationally Tuned Micropores for Selective Adsorption of Water over Methanol","Inorganic Chemistry","2008","47","","5543","5545","10.1021/ic8004008","","","1.54178","CuKα","","0.048","0.042","","","0.11","0.116","","","","","","1.056","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305456","26.7314","0.0003","18.2202","0.0005","32.6736","0.0005","90","","91.894","0.0014","90","","15905","0.5","173","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C151 H229 Mn4 N20 O15 -","- C151 H229 Mn4 N20 O15 -","- C604 H916 Mn16 N80 O60 -","4","1","","Kurahashi, Takuya; Fujii, Hiroshi","Chiral Distortion in a MnIV(salen)(N3)2 Derived from Jacobsen's Catalyst as a Possible Conformation Model for Its Enantioselective Reactions","Inorganic Chemistry","2008","47","17","7556","7567","10.1021/ic800443q","","","0.7107","MoKα","","","0.0667","","","","0.1796","","","","","","1.02","","","","has coordinates","210312","2020-10-21","18:00:00",""
"4305517","45.8522","0.0006","18.7196","0.0003","34.0347","0.0001","90","","111.248","0.001","90","","27227.3","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C165 H134 Cl9 Cu3 N12 O20 -","- C165 H104 Cl9 Cu3 N12 O20 -","- C660 H416 Cl36 Cu12 N48 O80 -","4","1","","Chuan-De Wu; Liqing Ma; Wenbin Lin","Hierarchically Ordered Homochiral Metal-Organic Frameworks Built from Exceptionally Large Rectangles and Squares","Inorganic Chemistry","2008","47","","11446","11448","10.1021/ic800514f","","","0.71073","MoKα","","0.1659","0.1013","","","0.2501","0.2768","","","","","","0.903","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4306003","30.4763","0.0008","16.501","0.0007","11.2234","0.0004","90","","100.813","0.002","90","","5543.9","0.3","200","","200","","","","","","","","?","5","C 1 2 1","C 2y","5","","","","- C49.5 H46.5 Cl7.5 N8 O4 -","- C49.5 H46.5 Cl7.5 N8 O4 -","- C198 H186 Cl30 N32 O16 -","4","1","","Rebecca J. Warr; Anthony C. Willis; S. Bruce Wild","Inorganic Asymmetric Synthesis: Diastereoselective Syntheses of Mono- and Dinuclear Complexes Containing Octahedral, Two-Bladed Propeller, Bis(pyridine-2-aldehyde 2'-pyridylhydrazone)iron(II) Stereocenters","Inorganic Chemistry","2008","47","","9351","9362","10.1021/ic800936d","","","0.71073","MoKα","","0.0728","0.0644","","0.0823","0.0755","0.0755","","","","","","1.0675","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306011","20.637","0.017","7.641","0.003","15.541","0.008","90","","128.918","0.003","90","","1907","2","90","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H40 Cl4 Cu N4 O11 -","- C36 H40 Cl4 Cu N4 O11 -","- C72 H80 Cl8 Cu2 N8 O22 -","2","0.5","","Atsushi Okazawa; Yasunori Nagaichi; Takashi Nogami; Takayuki Ishida","Magneto-Structure Relationship in Copper(II) and Nickel(II) Complexes Chelated with Stabletert-Butyl 5-Phenyl-2-pyridyl Nitroxide and Related Radicals","Inorganic Chemistry","2008","47","","8859","8868","10.1021/ic800937n","","","0.7107","MoKα","","","0.028","","","","0.0431","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306341","25.8608","0.0016","9.9054","0.0006","27.5099","0.0017","90","","117.28","0.0007","90","","6263.2","0.7","193","2","193","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C27.75 H32.5 Cl2.5 F6 N3 O2 P Pd -","- C27 H31 Cl F6 N3 O2 P Pd -","- C216 H248 Cl8 F48 N24 O16 P8 Pd8 -","8","2","","Elizabeth T. J. Strong; Steven A. Cardile; Allison L. Brazeau; Michael C. Jennings; Robert McDonald; Nathan D. Jones","Chiral, Hemilabile Palladium(II) Complexes of Tridentate Oxazolidines, Including C2-Symmetric ""Pincers""","Inorganic Chemistry","2008","47","","10575","10586","10.1021/ic8011926","","","0.71073","MoKα","","0.0363","0.0343","","","0.0894","0.091","","","","","","1.031","","","","has coordinates,has disorder","179101","2020-10-21","18:00:00",""
"4306822","22.266","0.002","25.164","0.002","18.699","0.002","90","","119.1","0.004","90","","9154.6","1.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C110 H166 Cl8 Cu12 N36 O109 -","- C110 H126 Cl8 Cu12 N36 O109 -","- C220 H252 Cl16 Cu24 N72 O218 -","2","0.5","","Donatella Armentano; Nadia Marino; Teresa F. Mastropietro; José Martínez-Lillo; Joan Cano; Miguel Julve; Francesc Lloret; Giovanni De Munno","Self-Assembly of a Chiral Carbonate- and Cytidine-Containing Dodecanuclear Copper(II) Complex: a Multiarm-Supplied Globular Capsule","Inorganic Chemistry","2008","47","","10229","10231","10.1021/ic801815s","","","0.71073","MoKα","","0.0951","0.07","","","0.1904","0.2099","","","","","","1.042","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306971","24.8884","0.0002","14.9206","0.0002","20.5194","0.0002","90","","125.443","0.001","90","","6207.86","0.14","115","2","115","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H78 N8 O Zn2 -","- C76 H78 N8 O Zn2 -","- C304 H312 N32 O4 Zn8 -","4","1","","Claude P. Gros; Frédéric Brisach; Anastasia Meristoudi; Enrique Espinosa; Roger Guilard; Pierre D. Harvey","Modulation of the Singlet-Singlet Through-Space Energy Transfer Rates in Cofacial Bisporphyrin and Porphyrin-Corrole Dyads","Inorganic Chemistry","2007","46","","125","135","10.1021/ic0613558","","","0.71069","MoKα","","0.0486","0.0338","","","0.0794","0.0868","","","","","","1.017","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306972","24.828","0.0003","14.9492","0.0002","20.3763","0.0003","90","","124.285","0.001","90","","6248.77","0.16","115","2","115","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H80 N8 O Zn -","- C76 H78 N8 O Zn -","- C304 H312 N32 O4 Zn4 -","4","1","","Claude P. Gros; Frédéric Brisach; Anastasia Meristoudi; Enrique Espinosa; Roger Guilard; Pierre D. Harvey","Modulation of the Singlet-Singlet Through-Space Energy Transfer Rates in Cofacial Bisporphyrin and Porphyrin-Corrole Dyads","Inorganic Chemistry","2007","46","","125","135","10.1021/ic0613558","","","0.71069","MoKα","","0.0673","0.0496","","","0.1164","0.1251","","","","","","1.063","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4307178","12.122","0.003","14.368","0.003","21.533","0.004","90","","100.2","0.03","90","","3691.1","1.4","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","catena-(copper(II)-(2,2'bipyridine)-mu3-adipate,O,O',O'')- -(copper(II)-(2,2'bipyridine)-hydrogenadipate,O',O'',O''') (tetrafluoroborate) hydrated","","- C32 H39 B Cu2 F4 N4 O11 -","- C32 H38 B Cu2 F4 N4 O11 -","- C128 H152 B4 Cu8 F16 N16 O44 -","4","1","","A. K. Ghosh; D. Ghoshal; E. Zangrando; J. Ribas; N. Ray Chaudhuri","Syntheses, Crystal Structures, and Magnetic Properties of Metal-Organic Hybrid Materials of Cu(II): Effect of a Long Chain Dicarboxylate Backbone, and Counteranion in Their Structural Diversity","Inorganic Chemistry","2007","46","","3057","3071","10.1021/ic061720v","","","1.54178","CuKα","","0.0593","0.0564","","","0.1538","0.1598","","","","","","1.056","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4307329","27.0324","0.0014","12.7921","0.0005","23.5524","0.0011","90","","98.243","0.001","90","","8060.3","0.6","153","2","153","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C28 H108 Cd4 Cl13 Co4 N20 Na O20 S4 -","- C28 H84 Cd4 Cl13 Co4 N20 Na O20 S4 -","- C112 H336 Cd16 Cl52 Co16 N80 Na4 O80 S16 -","4","1","","Takashi Aridomi; Tatsuya Kawamoto; Takumi Konno","Controlled Binding of al-Cysteinato Cobalt(III) Octahedron to a Cadmium(II) Center","Inorganic Chemistry","2007","46","","1343","1353","10.1021/ic061868e","","","0.7107","MoKα","","0.0774","0.0532","","","0.1389","0.1837","","","","","","1.279","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307975","15.8","0.002","8.9292","0.0013","44.332","0.007","90","","96.972","0.002","90","","6208.2","1.5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H54 B2 Mg P2 Si4 -","- C18 H54 B2 Mg P2 Si4 -","- C144 H432 B16 Mg8 P16 Si32 -","8","2","","Keith Izod; Corinne Wills; William Clegg; Ross W. Harrington","Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized Carbanion: Synthesis, Structures, and Stabilities","Inorganic Chemistry","2007","46","","4320","4325","10.1021/ic062459l","","","0.71073","MoKα","","0.0589","0.056","","","0.1198","0.1209","","","","","","1.204","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4308052","36.9313","0.001","5.513","0.0002","17.4561","0.0006","90","","94.2051","0.001","90","","3544.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C26 H42 Cl2 N2 O16 Pt -","- C26 H42 Cl2 N2 O16 Pt -","- C104 H168 Cl8 N8 O64 Pt4 -","4","1","","Sine A. Johannesen; Bent O. Petersen; Jens Ø. Duus; Troels Skrydstrup","Studies Directed to Understanding the Structure of Chitosan-Metal Complexes: Investigations of Mono- and Disaccharide Models with Platinum(II) Group Metals","Inorganic Chemistry","2007","46","","4326","4335","10.1021/ic070016r","","x-ray","0.71073","MoKα","","0.0375","0.0292","","","0.0488","0.0507","","","","","","1.019","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308053","36.298","0.003","5.4644","0.0004","17.3189","0.001","90","","94.004","0.002","90","","3426.8","0.4","100","2","100","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C26 H42 Cl2 N2 O16 Pd -","- C26 H42 Cl2 N2 O16 Pd -","- C104 H168 Cl8 N8 O64 Pd4 -","4","1","","Sine A. Johannesen; Bent O. Petersen; Jens Ø. Duus; Troels Skrydstrup","Studies Directed to Understanding the Structure of Chitosan-Metal Complexes: Investigations of Mono- and Disaccharide Models with Platinum(II) Group Metals","Inorganic Chemistry","2007","46","","4326","4335","10.1021/ic070016r","","x-ray","0.71073","MoKα","","0.0599","0.0434","","","0.0668","0.0718","","","","","","0.987","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308267","30.2942","0.0011","15.0722","0.0006","13.1166","0.0005","90","","97.896","0.002","90","","5932.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","CoHA-BPDS-piperadine","","","- C41 H75 Co2 N13 O20 S6 -","- C41 H52 Co2 N13 O20 S6 -","- C164 H208 Co8 N52 O80 S24 -","4","1","","Xin-Yi Wang; Rachelle Justice; Slavi C. Sevov","Hydrogen-Bonded Metal-Complex Sulfonate (MCS) Inclusion Compounds: Effect of the Guest Molecule on the Host Framework","Inorganic Chemistry","2007","46","","4626","4631","10.1021/ic070324p","","","0.71073","MoKα","","0.0499","0.042","","","0.1133","0.1205","","","","","","1.081","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308273","17.9521","0.001","7.7195","0.0004","16.6623","0.001","90","","94.963","0.002","90","","2300.4","0.2","273","2","273","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C4 H12 B F20 N O4 Te4 -","- C4 H12 B F20 N O4 Te4 -","- C16 H48 B4 F80 N4 O16 Te16 -","4","1","","Matthew D. Moran; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis and Structural Characterization of C(OTeF5)4 and a Comparative Structural Study of the Isoelectronic B(OTeF5)4- Anion","Inorganic Chemistry","2007","46","","5034","5045","10.1021/ic700362g","","","0.71073","MoKα","","0.0341","0.0259","","","0.04","0.0419","","","","","","1.012","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308298","19.0176","0.0008","11.9452","0.0006","9.2214","0.0004","90","","93.354","0.003","90","","2091.23","0.16","183","2","183","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H60 N2 O5 Sr -","- C44 H60 N2 O5 Sr -","- C88 H120 N4 O10 Sr2 -","2","0.5","","Martin Gärtner; Reinald Fischer; Jens Langer; Helmar Görls; Dirk Walther; Matthias Westerhausen","Syntheses and Structures of Alkaline Earth Metal Bis(diphenylamides)","Inorganic Chemistry","2007","46","","5118","5124","10.1021/ic700459d","","","0.71073","MoKα","","0.0462","0.041","","","0.0831","0.0864","","","","","","1.034","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308299","19.5613","0.0011","11.9298","0.0004","9.1896","0.0005","90","","93.622","0.002","90","","2140.22","0.18","183","2","183","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H60 Ba N2 O5 -","- C44 H60 Ba N2 O5 -","- C88 H120 Ba2 N4 O10 -","2","0.5","","Martin Gärtner; Reinald Fischer; Jens Langer; Helmar Görls; Dirk Walther; Matthias Westerhausen","Syntheses and Structures of Alkaline Earth Metal Bis(diphenylamides)","Inorganic Chemistry","2007","46","","5118","5124","10.1021/ic700459d","","","0.71073","MoKα","","0.0452","0.0426","","","0.0902","0.0922","","","","","","1.032","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308659","9.9407","0.0018","5.573","0.0008","7.121","0.0019","90","","94.561","0.01","90","","393.25","0.14","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Silver mercury vanadate","","","- Ag Hg O4 V -","- Ag Hg O4 V -","- Ag4 Hg4 O16 V4 -","4","1","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0442","0.0358","","","0.0847","0.0888","","","","","","1.019","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308953","24.618","0.003","11.4787","0.0011","15.5902","0.0015","90","","112.422","0.004","90","","4072.5","0.8","90","2","90","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C66 H58 Br2 F6 N10 Na O18 P Re2 -","- C66 H58 Br2 F6 N10 Na O18 P Re2 -","- C132 H116 Br4 F12 N20 Na2 O36 P2 Re4 -","2","0.5","","Lihui Wei; John Babich; William C. Eckelman; Jon Zubieta","Rhenium Tricarbonyl Core Complexes of Thymidine and Uridine Derivatives","Inorganic Chemistry","2005","44","","2198","2209","10.1021/ic048301n","","","0.71073","MoKα","","0.0641","0.0579","","","0.1369","0.1388","","","","","","1.053","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4308981","13.554","0.003","8.711","0.0017","8.7748","0.0018","90","","121.99","0.03","90","","878.7","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","(OC-6-2'2)-(4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2- olato(1-)-N,N',O,O')-di(thiocyanato-N)silicon(IV)","(OC-6-2'2)-{4,4'-(Ethane-1,2-diyldinitrilo)bis[pent-2-en-2-olato(1-)- N,N',O,O']-di(thiocyanato-N)silicon(IV)","","- C14 H18 N4 O2 S2 Si -","- C14 H18 N4 O2 S2 Si -","- C28 H36 N8 O4 S4 Si2 -","2","0.5","","Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke","Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands","Inorganic Chemistry","2005","44","","2337","2346","10.1021/ic0485211","","","0.71073","MoKα","","0.05","0.0426","","","0.0944","0.0981","","","","","","1.075","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309147","7.8072","0.0002","14.0965","0.0004","15.9181","0.0005","90","","97.735","0.001","90","","1735.91","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H52 Ba N10 O6 -","- C26 H52 Ba N10 O6 -","- C52 H104 Ba2 N20 O12 -","2","0.5","","Issam Kobrsi; John E. Knox; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Weak Carbon-Hydrogen-Nitrogen Interactions Affect the Heterocyclic Ligand Bonding Modes in Barium Complexes Containing η2-Tetrazolato and η2-Pentazolato Ligands","Inorganic Chemistry","2005","44","","4894","4896","10.1021/ic048171i","","","0.71073","MoKα","","0.0328","0.0323","","","0.0794","0.0797","","","","","","1.074","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309257","12.6341","0.0012","8.0536","0.0007","23.669","0.002","90","","100.343","0.006","90","","2369.2","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 N2 O15 Re2 S2 -","- C16 H16 N2 O15 Re2 S2 -","- C64 H64 N8 O60 Re8 S8 -","4","1","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Maria Carlone; Luigi G. Marzilli","Re(CO)3 Complexes Synthesized via an Improved Preparation of Aqueous fac-[Re(CO)3(H2O)3]+ as an Aid in Assessing 99mTc Imaging Agents. Structural Characterization and Solution Behavior of Complexes with Thioether-Bearing Amino Acids as Tridentate Ligands","Inorganic Chemistry","2005","44","","5437","5446","10.1021/ic0501869","","","1.54178","CuKα","","0.0523","0.0502","","","0.1261","0.1273","","","","","","1.062","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309260","31.371","0.002","6.1718","0.0004","29.357","0.002","90","","117.122","0.003","90","","5058.9","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C9 H12 N O5 Re S -","- C9 H12 N O5 Re S -","- C144 H192 N16 O80 Re16 S16 -","16","4","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Maria Carlone; Luigi G. Marzilli","Re(CO)3 Complexes Synthesized via an Improved Preparation of Aqueous fac-[Re(CO)3(H2O)3]+ as an Aid in Assessing 99mTc Imaging Agents. Structural Characterization and Solution Behavior of Complexes with Thioether-Bearing Amino Acids as Tridentate Ligands","Inorganic Chemistry","2005","44","","5437","5446","10.1021/ic0501869","","","0.71073","MoKα","","0.0551","0.0484","","","0.0909","0.093","","","","","","1.152","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309407","15.928","0.008","8.755","0.004","20.77","0.01","90","","96.055","0.006","90","","2880","2","173.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H45 Cu Mo N2 O2 S3 -","- C22 H45 Cu Mo N2 O2 S3 -","- C88 H180 Cu4 Mo4 N8 O8 S12 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0368","","","","0.0473","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309408","16.015","0.006","8.791","0.003","23.928","0.009","90","","104.712","0.004","90","","3258","2","173.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C23 H47 Cu Mo N2 O2 S3 -","- C23 H47 Cu Mo N2 O2 S3 -","- C92 H188 Cu4 Mo4 N8 O8 S12 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0621","","","","0.0874","","","","","","2.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309415","15.678","0.007","10.89","0.004","21.376","0.009","90","","95.278","0.005","90","","3634","3","173.2","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C28 H47 Cl2 Cu Mo N2 O S5 -","- C28 H47 Cl2 Cu Mo N2 O S5 -","- C112 H188 Cl8 Cu4 Mo4 N8 O4 S20 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0387","","","","0.0396","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309469","16.144","0.004","8.609","0.002","21.838","0.006","90","","96.127","0.005","90","","3017.8","1.3","173.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C23 H47 Cu Mo N2 O2 S3 -","- C23 H47 Cu Mo N2 O2 S3 -","- C92 H188 Cu4 Mo4 N8 O8 S12 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0404","","","","0.0567","","","","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310271","27.356","0.006","6.5352","0.0015","3.7201","0.0009","90","","92.481","0.004","90","","664.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H8 Ag N5 O3 -","- C12 H8 Ag N5 O3 -","- C24 H16 Ag2 N10 O6 -","2","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0611","0.059","","","0.1573","0.1624","","","","","","1.098","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4311412","22.9279","0.0017","8.3801","0.0006","12.929","0.001","90","","91.893","0.001","90","","2482.8","0.3","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C26 H30 N10 -","- C26 H30 N10 -","- C104 H120 N40 -","4","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0928","0.0466","","","0.1153","0.1361","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311766","24.275","0.002","23.162","0.002","14.6189","0.0009","90","","102.96","0.02","90","","8010.2","1.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C144 H168 Fe2 N16 O18 P4 Ru -","- C144 H156 Fe2 N16 O18 P4 Ru -","- C288 H312 Fe4 N32 O36 P8 Ru2 -","2","0.5","","Pablo Alborés; Leonardo D. Slep; Thomas Weyhermüller; Luis M. Baraldo","Fine Tuning of the Electronic Coupling between Metal Centers in Cyano-Bridged Mixed-Valent Trinuclear Complexes","Inorganic Chemistry","2004","43","","6762","6773","10.1021/ic0493649","","","0.71073","MoKα","","0.1137","0.0833","","0.2472","0.2123","","","","1.065","1.11","1.11","","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4312188","22.7441","0.0013","24.1082","0.0014","29.033","0.002","90","","106.965","0.007","90","","15226.6","1.7","153","2","153","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C101.5 H103 Cl7 Cu2 F24 Fe2 N8 P4 -","- C132 H126 Cu3 F18 Fe3 N12 P3 -","- C528 H504 Cu12 F72 Fe12 N48 P12 -","4","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.1316","0.0603","","","0.1275","0.1453","","","","","","0.729","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4312970","17.276","0.009","11.599","0.006","10.646","0.006","90","","103.35","0.03","90","","2075.6","1.9","88","2","88","2","","","","","","","","5","C 1 2 1","C 2y","5","[Mn(4,4-bipy)(3-F-phenyl-NCN)2]n","","","- C24 H16 F2 Mn N6 -","- C24 H16 F2 Mn N6 -","- C96 H64 F8 Mn4 N24 -","4","1","","Albert Escuer; Núria Sanz; Ramon Vicente; Franz A. Mautner","Molecular, 1D, and 2D Systems Built from Phenylcyanamido Ligands. Syntheses, Crystal Structures, and Characterization of Their Magnetic Properties","Inorganic Chemistry","2003","42","","541","551","10.1021/ic025931l","","","0.71069","MoKα","","0.0535","0.0473","","0.1295","0.1215","","","","1.089","1.08","1.08","","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313058","28.707","0.011","14.507","0.006","10","0.005","90","","110.39","","90","","3904","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H56 Cd2 Cl2 N2 O18 -","- C50 H38 Cd2 Cl2 N2 O18 -","- C100 H76 Cd4 Cl4 N4 O36 -","2","0.5","","Yong Cui; Helen L. Ngo; Peter S. White; Wenbin Lin","Hierarchical Assembly of Homochiral Porous Solids Using Coordination and Hydrogen Bonds","Inorganic Chemistry","2003","42","","652","654","10.1021/ic025932d","","","0.71073","MoKα","","0.2079","0.0879","","","0.213","0.2829","","","","","","1","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4314043","16.5391","0.004","9.6065","0.0007","7.5001","0.0006","90","","105.779","0.007","90","","1146.7","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H6 Co N8 O2 -","- C18 H12 Co2 N16 O4 -","- C36 H24 Co4 N32 O8 -","2","0.5","","Hao-Ling Sun; Song Gao; Bao-Qing Ma; Gang Su","Long-Range Ferromagnetic Ordering in Two-Dimensional Coordination Polymers Co[N(CN)2]2(L) [L = Pyrazine Dioxide (pzdo) and 2-Methyl Pyrazine Dioxide (mpdo)] with Dual μ- and μ3-[N(CN)2] Bridges","Inorganic Chemistry","2003","42","","5399","5404","10.1021/ic034202i","","","0.71073","MoKα","","0.0505","0.0385","","","0.1024","0.1088","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314786","21.284","0.0013","11.133","0.003","11.031","0.006","90","","117.343","0.007","90","","2321.8","1.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cu2 N3 O10.5 -","- C25 H19 Cu2 N3 O10.5 -","- C100 H76 Cu8 N12 O42 -","4","1","","Lai-Ping Zhang; Jian-Fang Ma; Jin Yang; Yuan-Yuan Pang; Ji-Cheng Ma","Series of 2D and 3D Coordination Polymers Based on 1,2,3,4-Benzenetetracarboxylate and N-Donor Ligands: Synthesis, Topological Structures, and Photoluminescent Properties","Inorganic Chemistry","2010","49","","1535","1550","10.1021/ic9019553","","","0.71069","MoKα","","0.0586","0.0346","","","0.0554","0.0588","","","","","","0.899","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4314875","20.841","0.002","5.6814","0.0006","8.9748","0.0009","90","","91.267","0.002","90","","1062.41","0.19","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H26 F2 O2 Ti -","- C26 H26 F2 O2 Ti -","- C52 H52 F4 O4 Ti2 -","2","0.5","","Silvia Eger; Timo A. Immel; James Claffey; Helge Müller-Bunz; Matthias Tacke; Ulrich Groth; Thomas Huhn","Titanocene Difluorides with Improved Cytotoxic Activity","Inorganic Chemistry","2010","49","","1292","1294","10.1021/ic9022163","","","0.71073","MoKα","","0.0348","0.0343","","","0.0857","0.0863","","","","","","1.044","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4315184","10.4607","0.0009","4.1863","0.0004","5.6251","0.0005","90","","109.769","0.001","90","","231.81","0.04","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","Uranyl borate","","","- B2 O6 U -","- B2 O6 U -","- B4 O12 U2 -","2","0.5","","Shuao Wang; Evgeny V. Alekseev; Jared T. Stritzinger; Wulf Depmeier; Thomas E. Albrecht-Schmitt","How are Centrosymmetric and Noncentrosymmetric Structures Achieved in Uranyl Borates?","Inorganic Chemistry","2010","49","","2948","2953","10.1021/ic902480n","","","0.71073","MoKα","","0.0139","0.0139","","","0.0332","0.0332","","","","","","1.114","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315547","18.2256","0.0005","10.9468","0.0003","23.2182","0.0007","90","","101.337","0.001","90","","4541.9","0.2","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H34 Cl6 Fe3 N3 Na O16.5 -","- C34 H34 Cl6 Fe3 N3 Na O16.5 -","- C136 H136 Cl24 Fe12 N12 Na4 O66 -","4","1","","Hannah Sayre; Kyle Milos; Michael J. Goldcamp; Cynthia A. Schroll; Jeanette A. Krause; Michael J. Baldwin","Mixed-Donor, α-Hydroxy Acid-Containing Chelates for Binding and Light-Triggered Release of Iron","Inorganic Chemistry","2010","49","","4433","4439","10.1021/ic9018629","","","1.54178","CuKα","","0.0758","0.0549","","","0.1207","0.1287","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317435","32.259","0.003","20.926","0.002","22.037","0.002","90","","130.956","0.004","90","","11234.6","1.9","213","2","213","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H110 Cl13 Eu15 N10 O112 -","- C90 H110 Cl13 Eu15 N10 O112 -","- C180 H220 Cl26 Eu30 N20 O224 -","2","0.5","","Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples","Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes","Inorganic Chemistry","2002","41","","278","286","10.1021/ic010859x","","","0.71073","MoKα","","0.1032","0.0819","","","0.2137","0.229","","","","","","1.035","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317436","33.8755","0.0005","19.8499","0.0001","20.823","0.0004","90","","126.924","0.001","90","","11193.6","0.3","213","2","213","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H110 Cl12 N10 Nd15 O107 -","- C90 H110 Cl12 N10 Nd15 O107 -","- C180 H220 Cl24 N20 Nd30 O214 -","2","0.5","","Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples","Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes","Inorganic Chemistry","2002","41","","278","286","10.1021/ic010859x","","","0.71073","MoKα","","0.1318","0.0755","","","0.1895","0.2071","","","","","","0.919","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317437","31.9405","0.0005","21.0458","0.0007","21.9661","0.0003","90","","131.175","0.001","90","","11114.3","0.5","213","2","213","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H110 Cl14 Gd15 N10 O101 -","- C90 H110 Cl14 Gd15 N10 O101 -","- C180 H220 Cl28 Gd30 N20 O202 -","2","0.5","","Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples","Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes","Inorganic Chemistry","2002","41","","278","286","10.1021/ic010859x","","","0.71073","MoKα","","0.1623","0.0691","","","0.1651","0.2019","","","","","","0.95","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4317438","34.154","0.002","20.4966","0.0014","20.8371","0.0014","90","","126.967","0.001","90","","11654.6","1.3","170","2","170","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C108 H142 Br Cl14 N12 O100 Pr15 -","- C108 H142 Br Cl14 N12 O100 Pr15 -","- C216 H284 Br2 Cl28 N24 O200 Pr30 -","2","0.5","","Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples","Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes","Inorganic Chemistry","2002","41","","278","286","10.1021/ic010859x","","","0.71073","MoKα","","0.0937","0.0716","","","0.1943","0.2254","","","","","","1.062","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317439","31.9096","0.0016","20.6944","0.001","21.8466","0.0011","90","","131.099","0.001","90","","10871.4","0.9","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C90 H130 Br Cl14 Eu15 N10 O108 -","- C90 H130 Br Cl14 Eu15 N10 O108 -","- C180 H260 Br2 Cl28 Eu30 N20 O216 -","2","0.5","","Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples","Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes","Inorganic Chemistry","2002","41","","278","286","10.1021/ic010859x","","","0.71073","MoKα","","0.0889","0.0578","","","0.1545","0.1755","","","","","","0.967","","","","has coordinates,has disorder","179254","2020-10-21","18:00:00",""
"4317516","23.407","0.007","23.2","0.02","17.507","0.009","90","0.06","113.38","0.04","90","0.04","8726","10","153","5","153","5","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H60 N10 Te11.57 Tm4 -","- C62 H60 N10 Te11.57 Tm4 -","- C248 H240 N40 Te46.28 Tm16 -","4","1","","Deborah Freedman; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Compounds with Te2-, (TeTe)2-, TePh, TeTePh, (TeTeTe(Ph)TeTe)5-, and [(TeTe)4TePh]9- Ligands; Single Source Precursors to Solid-State Lanthanide Tellurides","Inorganic Chemistry","2002","41","","492","500","10.1021/ic010981w","","","0.71073","MoKα","","0.1569","0.0877","","","0.2149","0.2403","","","","","","1.014","","","","has coordinates,has disorder","179255","2020-10-21","18:00:00",""
"4317863","8.809","0.001","8.95","0.002","12.855","0.003","90","","99.16","0.02","90","","1000.6","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H26 Cl4 N2 O2 Pt -","- C12 H26 Cl4 N2 O2 Pt -","- C24 H52 Cl8 N4 O4 Pt2 -","2","0.5","","Nadezhda A. Bokach; Vadim Yu. Kukushkin; Maxim L. Kuznetsov; Dmitrii A. Garnovskii; Giovanni Natile; Armando J. L. Pombeiro","Direct Addition of Alcohols to Organonitriles Activated by Ligation to a Platinum(IV) Center","Inorganic Chemistry","2002","41","","2041","2053","10.1021/ic011025h","","","0.71073","MoKα","","0.0326","0.0326","","","0.0816","0.0816","","","","","","1.086","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4318891","16.974","0.004","8.064","0.003","13.247","0.003","90","","106.37","0.02","90","","1739.7","0.9","296.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H34 Cl2 F6 N8 P Rh -","- C30 H30 Cl2 F6 N8 P Rh -","- C60 H60 Cl4 F12 N16 P2 Rh2 -","2","0.5","","Maxim Sokolov; Keisuke Umakoshi; Yoichi Sasaki","N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine and Its Analogues as Hypodentate Ligands. Synthesis and Characterization of the Rhodium(III), Ruthenium(II), and Palladium(II) Complexes","Inorganic Chemistry","2002","41","","6237","6243","10.1021/ic0203264","","","0.7107","MoK$B-B(J","","","0.0537","","","","0.087","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318980","25.945","0.005","8.2758","0.0017","14.357","0.003","90","","108.57","0.03","90","","2922.2","1.1","130","2","130","2","","","","","","","","6","C 1 2 1","C 2y","5","compound 15","Ni(II) 5,10,15,20-tetra(pentafluorophenyl)-2,3,7,8,12,13,17,18- octaethylporphyrin","","- C60 H48 F20 N4 Ni O4 -","- C60 H40 F20 N4 Ni O4 -","- C120 H80 F40 N8 Ni2 O8 -","2","0.5","","Karl M. Kadish; Min Lin; Eric Van Caemelbecke; Guido De Stefano; Craig J. Medforth; Daniel J. Nurco; Nora Y. Nelson; Bénédicte Krattinger; Cinzia M. Muzzi; Laurent Jaquinod; Yang Xu; David C. Shyr; Kevin M. Smith; John A. Shelnutt","Influence of Electronic and Structural Effects on the Oxidative Behavior of Nickel Porphyrins","Inorganic Chemistry","2002","41","","6673","6687","10.1021/ic0200702","","","0.71073","MoKα","","0.0779","0.063","","","0.1612","0.1741","","","","","","1.199","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4319227","24.305","0.005","11.247","0.005","9.57","0.005","90","0.005","100","0.005","90","0.005","2576.3","1.8","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II)(ethyleneglycol)","Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II)(1,2-ethanediol)","","- C24 H44 Mg O6 -","- C24 H44 Mg O6 -","- C96 H176 Mg4 O24 -","4","1","","Timo Hatanpää; Jarno Kansikas; Ilpo Mutikainen; Markku Leskelä","Ancillary Ligand Effect on the Properties of ""Mg(thd)2"" and Crystal Structures of [Mg(thd)2(ethylenediamine)]2, [Mg(thd)2(tmeda)], and [Mg(thd)2(trien)]1","Inorganic Chemistry","2001","40","","788","794","10.1021/ic000310i","","","0.71073","MoKα","","0.2005","0.1439","","","0.3526","0.4048","","","","","","1.291","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4319512","22.4553","0.0009","11.1536","0.0003","15.8909","0.0006","90","","129.716","0.0013","90","","3061.5","0.2","223","","223","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C58 H44 Cl14 Fe P2 Re2 -","- C58 H44 Cl14 Fe P2 Re2 -","- C116 H88 Cl28 Fe2 P4 Re4 -","2","0.5","","N. Dastagiri Reddy; Phillip E. Fanwick; Richard A. Walton","An Intramolecular Disproportionation Reaction Leading to the Formation of the Quadruply Bonded Complex Cl4ReReCl2(dppf) (dppf = 1,1'-Bis(diphenylphosphino)ferrocene). An Example of the Missing 1,3-Re2Cl6(PR3)2 Isomer","Inorganic Chemistry","2001","40","","1732","1733","10.1021/ic0011819","","","0.71073","MO-Kα","","","0.053","","","","0.134","","","","","","1.092","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319939","22.414","0.002","13.7686","0.0015","22.207","0.002","90","","90.713","0.008","90","","6852.8","1.1","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H48 Cl Cr N18 O8 Ru2 -","- C66 H48 Cl Cr N18 O8 Ru2 -","- C264 H192 Cl4 Cr4 N72 O32 Ru8 -","4","1","","Takuhiro Otsuka; Akiko Sekine; Naoki Fujigasaki; Yuji Ohashi; Youkoh Kaizu","Energy-Transfer Rate in Crystals of Double-Complex Salts Composed of [Ru(N-N)3]2+ (N-N = 2,2'-Bipyridine or 1,10-Phenanthroline) and [Cr(CN)6]3-: Effect of Relative Orientation between Donor and Acceptor","Inorganic Chemistry","2001","40","","3406","3412","10.1021/ic0013936","","","0.71069","MoKa","","0.0751","0.0489","","0.7482","0.1367","","","","1.062","1.073","1.073","","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4319940","22.414","0.003","13.814","0.004","22.299","0.004","90","","90.531","0.013","90","","6904","3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H48 Br Cr N18 O8 Ru2 -","- C66 H48 Br Cr N18 O8 Ru2 -","- C264 H192 Br4 Cr4 N72 O32 Ru8 -","4","1","","Takuhiro Otsuka; Akiko Sekine; Naoki Fujigasaki; Yuji Ohashi; Youkoh Kaizu","Energy-Transfer Rate in Crystals of Double-Complex Salts Composed of [Ru(N-N)3]2+ (N-N = 2,2'-Bipyridine or 1,10-Phenanthroline) and [Cr(CN)6]3-: Effect of Relative Orientation between Donor and Acceptor","Inorganic Chemistry","2001","40","","3406","3412","10.1021/ic0013936","","","0.71073","MoKa","","0.1691","0.0553","","0.1298","0.0942","","","","0.963","1.126","1.126","","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320079","18.834","0.006","10.563","0.004","11.039","0.003","90","","115.23","0.02","90","","1986.6","1.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H19 Cl Cu N5 O7.5 -","- C16 H18.5 Cl Cu N5 O7.5 -","- C64 H74 Cl4 Cu4 N20 O30 -","4","1","","P. S. Subramanian; E. Suresh; P. Dastidar; S. Waghmode; D. Srinivas","Conformational Isomerism and Weak Molecular and Magnetic Interactions in Ternary Copper(II) Complexes of [Cu(AA)L']ClO4.nH2O, Where AA = l-Phenylalanine and l-Histidine, L' = 1,10-Phenanthroline and 2,2-Bipyridine, and n = 1 or 1.5: Synthesis, Single-Crystal X-ray Structures, and Magnetic Resonance Investigations","Inorganic Chemistry","2001","40","","4291","4301","10.1021/ic010182d","","","0.7107","MoKα","","0.0544","0.0474","","","0.1261","0.1311","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320589","34.565","0.007","17.06","0.002","12.646","0.002","90","","99.88","0.02","90","","7346","2","203","2","203","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C91 H88 Co3 Dy2 N28 O29 S8 -","- C91 H76 Co3 Dy2 N28 O29 S8 -","- C182 H152 Co6 Dy4 N56 O58 S16 -","2","0.5","","David M. L. Goodgame; David A. Grachvogel; Andrew J. P. White; David J. Williams","Heterometallic Network Complexes of the Ambidentate, Extended-Reach Linear Ligand 1-(4'-pyridyl)pyridin-4-one","Inorganic Chemistry","2001","40","","6180","6185","10.1021/ic010590h","","","0.71073","MoKα","","0.0905","0.0633","","0.1729","0.1482","","","","1.075","1.138","1.138","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321247","17.389","0.006","10.843","0.003","10.463","0.003","90","","125.28","0.02","90","","1610.5","0.9","113","","113","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H48 Mo2 N2 O6 -","- C30 H48 Mo1.912 N2 O6 -","- C60 H96 Mo3.824 N4 O12 -","2","0.5","","Malcolm H. Chisholm; Ann M. Macintosh; John C. Huffman; Dedong Wu; Ernest R. Davidson; Robin J. H. Clark; Steven Firth","Dimolybdenum Bis((S,S,S)-triisopropanolaminate(3-)): A Blue Compound with an Unusual Mo-Mo Triple Bond","Inorganic Chemistry","2000","39","","3544","3550","10.1021/ic991352d","","","0.71069","MoKα","","","0.0515","","","","0.0487","","","","","","1.545","","","","has coordinates,has disorder","179315","2020-10-21","18:00:00",""
"4321307","47.576","0.002","12.9029","0.0015","13.664","0.002","90","","97.353","0.004","90","","8318.9","1.6","130","2","130","2","","","","","","","","6","C 1 2 1","C 2y","5","","[Fe(TMCP)(OH2)(HOEt)]2[Fe(TMCP)(HOEt)2](ClO4)3.(EtOH)2.(CHCl3)1.45","","- C157.46 H197.46 Cl7.36 Fe3 N12 O44 -","- C157.454 H195.454 Cl7.362 Fe3 N12 O44 -","- C314.908 H390.908 Cl14.724 Fe6 N24 O88 -","2","0.5","","Jean-Pierre Simonato; Jacques Pécaut; Laurent Le Pape; Jean-Louis Oddou; Claudine Jeandey; Maoyu Shang; W. Robert Scheidt; Jacek Wojaczyński; Stanisław Wołowiec; Lechosław Latos-Grażyński; Jean-Claude Marchon","An Integrated Approach to the Mid-Spin State (S= 3/2) in Six-Coordinate Iron(III) Chiroporphyrins","Inorganic Chemistry","2000","39","","3978","3987","10.1021/ic000150a","","","0.71073","MoKα","","0.0849","0.0671","","0.1754","0.1604","","","","1.022","1.033","1.033","","","","","has coordinates,has disorder","179316","2020-10-21","18:00:00",""
"4321407","16.8572","0.0004","14.118","0.0003","13.391","0.0001","90","","113.3","0.03","90","","2927","0.7","203","2","203","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetra(n-butyl)ammonium tetracyanotricuprate(I) acetronitrile solvate","","- C22 H39 Cu3 N6 -","- C22 H39 Cu3 N6 -","- C88 H156 Cu12 N24 -","4","1","","Graham A. Bowmaker; Hans Hartl; Victoria Urban","Crystal Structures and Vibrational Spectroscopy of [NBu4][Cu(CN)X] (X = Br, I) and [NBu4][Cu3(CN)4].CH3CN","Inorganic Chemistry","2000","39","","4548","4554","10.1021/ic000399s","","","0.71073","MoKα","","0.0639","0.0361","","","0.0864","0.1016","","","","","","1.007","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321482","15.861","0.0009","5.869","0.0002","14.972","0.0008","90","","121.381","0.0015","90","","1189.85","0.1","200","1","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Br2 Cu N2 O5 -","- C24 H20 Br2 Cu N2 O5 -","- C48 H40 Br4 Cu2 N4 O10 -","2","0.5","","Rico E. Del Sesto; Atta M. Arif; Joel S. Miller","Copper(II) Benzoate Nitroxide Dimers and Chains: Structure and Magnetic Studies","Inorganic Chemistry","2000","39","","4894","4902","10.1021/ic0007106","","","0.7107","MoKα","","0.0226","0.0221","","","0.0582","0.0586","","","","","","1.06","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321838","22.384","0.004","13.827","0.004","22.186","0.003","90","","90.7","0.02","90","","6866","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","bis[tris(2,2'-bipyridine)osmium(II)] [hexacyanochromate(III)] chloride octahydrate","","- C66 H48 Cl Cr N18 O8 Os2 -","- C66 H48 Cl Cr N18 O8 Os2 -","- C264 H192 Cl4 Cr4 N72 O32 Os8 -","4","1","","Takuhiro Otsuka; Naoto Takahashi; Naoki Fujigasaki; Akiko Sekine; Yuji Ohashi; Youkoh Kaizu","Crystal Structure and Energy Transfer in Double-Complex Salts Composed of Tris(2,2'-bipyridine)ruthenium(II) or Tris(2,2'-bipyridine)osmium(II) and Hexacyanochromate(III)","Inorganic Chemistry","1999","38","","1340","1347","10.1021/ic9810541","","","0.71073","MoKα","","0.0812","0.0788","","0.2075","0.193","","","","1.072","1.072","1.072","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321959","9.886","0.003","17.388","0.005","6.029","0.002","90","","103.33","0.02","90","","1008.5","0.5","295","","295","","","","","","","","chemical synthesis","6","C 1 2 1","C 2y","5","","","","- C12 H6 Cr N4 Na O13 -","- C12 H6 Cr N4 Na O13 -","- C24 H12 Cr2 N8 Na2 O26 -","2","0.5","","Giovanni De Munno; Donatella Armentano; Miguel Julve; Francesc Lloret; Rodrigue Lescouëzec; Juan Faus","Two-Dimensional Assembling of (2,2'-Bipyrimidine)bis(oxalato)chromate(III) Units through Alkaline Cations","Inorganic Chemistry","1999","38","","2234","2237","10.1021/ic981232q","","","0.71073","MoKα","","4.98","4.8","","6.88","6.47","","","","","0.89","0.89","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4321984","27.319","0.024","5.274","0.005","5.355","0.003","90","","99.53","0.04","90","","760.9","1.1","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","mu-fluorohexafluorotetraoxodirhenate dioxotrifluororhenium adduct","","- F13 K O8 Re2 -","- F13 K O8 Re2 -","- F26 K2 O16 Re4 -","2","0.5","","William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen","Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)∞, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN","Inorganic Chemistry","1999","38","","2340","2358","10.1021/ic980695t","","","0.71073","MoKα","","0.0254","0.0244","","0.0677","0.0603","","","","1.162","1.162","1.162","","","","","has coordinates","273129","2022-02-23","10:11:34",""
"4322809","12.631","0.014","15.636","0.002","13.43","0.016","90","0.01","90.14","0.06","90","","2652","4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H32 Mn N22 Ni2 O4 -","- C8 H32 Mn N22 Ni2 O4 -","- C32 H128 Mn4 N88 Ni8 O16 -","4","1","","T. M. Rajendiran; Corine Mathonière; Stéphane Golhen; Lahcène Ouahab; Olivier Kahn","Ferromagnetic Interactions in the Mn(N3)4[Ni(en)2(NO2)]2 Trinuclear Compound. Crystal Structure and Physical Properties","Inorganic Chemistry","1998","37","","2651","2654","10.1021/ic9708531","","","0.71073","MoKα","","0.0628","0.0355","","0.111","0.0909","","","","0.869","0.827","0.827","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4323118","29.621","0.005","7.392","0.0015","7.43","0.002","90","","90.75","0.02","90","","1626.7","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H23 Ag O13 -","- C12 H13 Ag O13 -","- C48 H52 Ag4 O52 -","4","1","","Kwan Mook Kim; Soo Chang Song; Sang Beom Lee; Hak Chul Kang; Youn Soo Sohn","Structural Properties of Silver(I) and Mercury(II) Complexes of d-Lactobionate: Self-Assembled Coordination Polymers","Inorganic Chemistry","1998","37","","5764","5768","10.1021/ic980257m","","","0.71073","MoKα","","0.0297","0.0296","","0.0873","0.0872","","","","1.126","1.127","1.127","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323119","29.084","0.003","7.4066","0.0011","7.4761","0.0009","90","","90.718","0.009","90","","1610.3","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H23 Hg0.5 O13 -","- C12 H13 Hg0.5 O13 -","- C48 H52 Hg2 O52 -","4","1","","Kwan Mook Kim; Soo Chang Song; Sang Beom Lee; Hak Chul Kang; Youn Soo Sohn","Structural Properties of Silver(I) and Mercury(II) Complexes of d-Lactobionate: Self-Assembled Coordination Polymers","Inorganic Chemistry","1998","37","","5764","5768","10.1021/ic980257m","","","0.71073","MoKα","","0.0269","0.0268","","0.0716","0.0716","","","","1.074","1.074","1.074","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323154","29.621","0.005","7.392","0.0015","7.43","0.002","90","","90.75","0.02","90","","1626.7","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H23 Ag O13 -","- C12 H13 Ag O13 -","- C48 H52 Ag4 O52 -","4","1","","Kwan Mook Kim; Youn Soo Sohn","Reaction of Tetrahydroxo(2,2-dimethylpropane- diamine)platinum(IV) with Trimethylsilylchoride. Pentacoordinative Si...OH Interaction Labilizing the PtIV-OH Bond","Inorganic Chemistry","1998","37","","6109","6112","10.1021/ic980203c","","","0.71073","MoKα","","0.0297","0.0296","","0.0873","0.0872","","","","1.126","1.127","1.127","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323155","29.084","0.003","7.4066","0.0011","7.4761","0.0009","90","","90.718","0.009","90","","1610.3","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H23 Hg0.5 O13 -","- C12 H13 Hg0.5 O13 -","- C48 H52 Hg2 O52 -","4","1","","Kwan Mook Kim; Youn Soo Sohn","Reaction of Tetrahydroxo(2,2-dimethylpropane- diamine)platinum(IV) with Trimethylsilylchoride. Pentacoordinative Si...OH Interaction Labilizing the PtIV-OH Bond","Inorganic Chemistry","1998","37","","6109","6112","10.1021/ic980203c","","","0.71073","MoKα","","0.0269","0.0268","","0.0716","0.0716","","","","1.074","1.074","1.074","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323740","18.087","0.008","12.239","0.003","18.037","0.007","90","","92.67","0.03","90","","3988","3","130","2","130","2","","","","","","","synthetic","4","C 1 2 1","C 2y","5","Ni(II)tTEtTPP","(2,3,12,13-Tetraethyl-5,10,15,20-tetraphenyl- porphrinato)nickel(II)","","- C52 H44 N4 Ni -","- C52 H24 N4 Ni -","- C208 H96 N16 Ni4 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.0663","0.0624","","0.1696","0.1619","","","","0.959","0.959","0.959","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323961","29.187","0.006","20.008","0.004","13.274","0.003","90","","90.82","0.02","90","","7751","3","423","2","423","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H84 Li6 N6 S6 -","- C60 H84 Li6 N6 S6 -","- C240 H336 Li24 N24 S24 -","4","1","","Maurits D. Janssen; Evelien Rijnberg; Corine A. de Wolf; Marinus P. Hogerheide; Dennis Kruis; Huub Kooijman; Anthony L. Spek; David M. Grove; Gerard van Koten","Structural Aspects of Lithium Arenethiolate Complexes with Intramolecular Coordinating Amine Donors","Inorganic Chemistry","1996","35","","6735","6741","10.1021/ic960075x","","","0.71073","MoKa","","0.1923","0.093","","0.2356","0.198","","","","0.772","1.144","1.144","","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4324172","14.4012","0.0003","14.4485","0.0003","9.8332","0.0002","90","","101.97","0.001","90","","2001.56","0.07","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H58 F4 N10 Si2 -","- C36 H58 F4 N10 Si2 -","- C72 H116 F8 N20 Si4 -","2","0.5","","Rajendra S. Ghadwal; Kevin Pröpper; Birger Dittrich; Peter G. Jones; Herbert W. Roesky","Neutral Pentacoordinate Silicon Fluorides Derived from Amidinate, Guanidinate, and Triazapentadienate Ligands and Base-Induced Disproportionation of Si2Cl6 to Stable Silylenes","Inorganic Chemistry","2011","50","","358","364","10.1021/ic1020548","","","1.54178","CuKα","","0.0223","0.0218","","","0.0555","0.0557","","","","","","1.072","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324501","19.1846","0.0006","14.7042","0.0005","12.31","0.0004","90","","111.921","0.002","90","","3221.51","0.19","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H50 Cr4 N4 O21 Zn2 -","- C66 H48 Cr4 N4 O21 Zn2 -","- C132 H96 Cr8 N8 O42 Zn4 -","2","0.5","","Balasubramanian Murugesapandian; Peter W. Roesky","Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl","Inorganic Chemistry","2011","50","","1698","1704","10.1021/ic102167t","","","0.71073","MoKα","","0.0538","0.0485","","","0.1235","0.1266","","","","","","1.018","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324519","10.707","0.004","6.833","0.002","18.393","0.006","90","","98.577","0.005","90","","1330.6","0.8","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 F N -","- C16 H18 F N -","- C64 H72 F4 N4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.0689","0.0532","","","0.1266","0.1368","","","","","","1.017","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324699","24.461","0.006","11.2937","0.0019","19.454","0.005","90","","127.736","0.004","90","","4250.2","1.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H24 As2 Co N6 Se10 -","- C36 H24 As2 Co N6 Se10 -","- C144 H96 As8 Co4 N24 Se40 -","4","1","","Jing Zhao; Jingjing Liang; Jiangfang Chen; Yingli Pan; Yong Zhang; Dingxian Jia","Novel Polyselenidoarsenate and Selenidoarsenate: Solvothermal Synthesis and Characterization of [Co(phen)3][As2Se2(μ-Se3)(μ-Se5)] and [Co(phen)3]2[As8Se14]","Inorganic Chemistry","2011","50","","2288","2293","10.1021/ic1024444","","","0.71073","MoKα","","0.0683","0.0482","","","0.1335","0.1487","","","","","","1.071","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324891","21.348","0.005","9.5885","0.0019","7.4252","0.0016","90","","108.91","0.02","90","","1437.9","0.6","295","2","295","1","","","","","","","","5","C 1 2 1","C 2y","5","cis copper(II) valinate monohydrate","cis bis(valinato)copper(II) monohydrate","","- C10 H22 Cu N2 O5 -","- C9.997 H21.991 Cu N2 O5 -","- C39.988 H87.964 Cu4 N8 O20 -","4","1","","Marijana Marković; Nenad Judaš; Jasmina Sabolović","Combined Experimental and Computational Study of cis-trans Isomerism in Bis(l-valinato)copper(II)","Inorganic Chemistry","2011","50","","3632","3644","10.1021/ic102585f","","","0.71073","MoKα","","0.0326","0.0319","","","0.0789","0.0793","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324934","28.086","0.008","7.583","0.002","12.109","0.003","90","","105.461","0.005","90","","2485.6","1.1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46 H32 F12 Mn2 N2 O9 -","- C46 H32 F12 Mn2 N2 O9 -","- C92 H64 F24 Mn4 N4 O18 -","2","0.5","","Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee","Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)","Inorganic Chemistry","2011","50","","3855","3865","10.1021/ic1017246","","","0.71073","MoKα","","0.0959","0.0682","","","0.1675","0.1797","","","","","","1.01","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325006","33.866","0.014","6.684","0.003","9.784","0.004","90","","92.669","0.005","90","","2212.3","1.6","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H32 B10 N2 O3 -","- C14 H32 B10 N2 O3 -","- C56 H128 B40 N8 O12 -","4","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.063","0.0539","","","0.1472","0.1537","","","","","","1.025","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325353","16.6552","0.0004","9.2453","0.0002","17.9079","0.0004","90","","107.508","0.001","90","","2629.76","0.1","120.15","","120.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H11 Cl13 N2 Zn6 -","- C6 H11 Cl13 N2 Zn6 -","- C24 H44 Cl52 N8 Zn24 -","4","1","","Julien Estager; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Sophie Tyrrell","Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids","Inorganic Chemistry","2011","50","","5258","5271","10.1021/ic200586u","","","0.71073","MOKα","","0.0416","0.0316","","","0.079","0.0922","","","","","","0.992","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325362","15.1371","0.0017","11.9719","0.0014","12.1833","0.0014","90","","96.598","0.001","90","","2193.2","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C49 H64 O P2 Rh2 n4 -","- C49 H64 N4 O P2 Rh2 -","- C98 H128 N8 O2 P4 Rh4 -","2","0.5","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0279","0.0275","","","0.0669","0.067","","","","","","1.212","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325460","28.9533","0.0007","13.0045","0.0003","26.734","0.0008","90","","90.526","0.002","90","","10065.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C110 H116 Fe3 N12 O8 -","- C110 H116 Fe3 N12 O8 -","- C440 H464 Fe12 N48 O32 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.079","0.0582","","","0.1476","0.1542","","","","","","0.977","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325461","26.87","0.0006","11.5749","0.0002","14.8955","0.0003","90","","121.146","0.003","90","","3964.96","0.19","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 Fe N6 O2 -","- C44 H42 Fe N6 O2 -","- C176 H168 Fe4 N24 O8 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","1.54184","CuKα","","0.0411","0.0367","","","0.0932","0.0951","","","","","","0.985","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325462","25.4871","0.0008","21.9537","0.0008","24.8107","0.0011","90","","116.882","0.005","90","","12382.3","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C130.5 H150.75 Fe3 N14.25 O6 -","- C130.5 H150.75 Fe3 N14.25 O6 -","- C522 H603 Fe12 N57 O24 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.3046","0.074","","","0.1272","0.1691","","","","","","0.693","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325571","25.6695","0.0003","12.3859","0.0001","13.8812","0.0002","90","","102.619","0.001","90","","4306.78","0.09","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H87 Cl6 Co4 N15 O32 -","- C66 H87 Cl6 Co4 N15 O32 -","- C132 H174 Cl12 Co8 N30 O64 -","2","0.5","","Jia Luo; Nigam P. Rath; Liviu M. Mirica","Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies","Inorganic Chemistry","2011","50","","6152","6157","10.1021/ic201031s","","","0.71073","MoKα","","0.0655","0.0606","","","0.1637","0.169","","","","","","1.051","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325807","24.412","0.007","11.263","0.002","19.406","0.005","90","","127.749","0.005","90","","4219","1.8","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H24 As2 N6 Ni Se10 -","- C36 H24 As2 N6 Ni Se10 -","- C144 H96 As8 N24 Ni4 Se40 -","4","1","","Dingxian Jia; Jing Zhao; Yingli Pan; Weiwei Tang; Bing Wu; Yong Zhang","Solvothermal Synthesis and Characterization of Polyselenidoarsenate Salts of Transition Metal Complex Cations","Inorganic Chemistry","2011","50","","7195","7201","10.1021/ic2007809","","","0.71073","MoKα","","0.0653","0.0406","","","0.1058","0.1269","","","","","","1.118","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325901","27.1588","0.0016","14.8506","0.0009","33.574","0.002","90","","92.551","0.001","90","","13527.8","1.4","158","2","158","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H67.5 Cu5 N11.5 Nd O24 -","- C45 H50 Cu5 N10.5 Nd O14.75 -","- C360 H400 Cu40 N84 Nd8 O118 -","8","2","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0883","0.078","","","0.1886","0.1949","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325902","27.641","0.003","14.7967","0.0016","33.094","0.004","90","","93.399","0.004","90","","13511","3","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H76.5 Cu5 Gd N11.5 O25.5 -","- C45 H50 Cu5 Gd N11.5 O25.5 -","- C360 H400 Cu40 Gd8 N92 O204 -","8","2","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.098","0.079","","","0.1969","0.22","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325903","27.576","0.004","14.7856","0.0019","33.262","0.004","90","","93.557","0.002","90","","13536","3","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H129 Cu10 N22 O53 Y2 -","- C90 H100 Cu10 N22 O52.25 Y2 -","- C360 H400 Cu40 N88 O209 Y8 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0818","0.0643","","","0.1843","0.193","","","","","","1.053","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4326050","20.193","0.005","12.37","0.003","13.889","0.003","90","","115.091","0.001","90","","3141.9","1.3","150.1","","150.1","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H29 Cl2 Fe0.5 N3 O5 P -","- C34 H29 Cl2 Fe0.5 N3 O5 P -","- C136 H116 Cl8 Fe2 N12 O20 P4 -","4","1","","Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato","Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex","Inorganic Chemistry","2011","50","","8308","8317","10.1021/ic2008396","","","0.7107","MoKα","","","0.0413","","","","0.1092","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326277","22.7141","0.001","8.5147","0.0004","14.0115","0.0006","90","","105.659","0.001","90","","2609.3","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H22 La O26 Sb3 -","- C12 H6 La O26 Sb3 -","- C48 H24 La4 O104 Sb12 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0337","0.0325","","","0.0805","0.0815","","","","","","1.01","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326365","24.0723","0.0018","13.7658","0.0011","23.2674","0.0018","90","","95.93","0.001","90","","7669","1","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C60 H60 Cl3 Cu3 F6 N10 O8 P Re2 -","- C60 H60 Cl3 Cu3 F6 N10 O8 P Re2 -","- C240 H240 Cl12 Cu12 F24 N40 O32 P4 Re8 -","4","1","","Rui Cao; Brian D. McCarthy; Stephen J. Lippard","Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes","Inorganic Chemistry","2011","50","","9499","9507","10.1021/ic201172r","","","0.71073","MoKα","","0.0559","0.0493","","","0.1407","0.1483","","","","","","1.05","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326469","25.507","0.008","14.111","0.004","10.667","0.003","90","","102.387","0.004","90","","3750","1.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C80 H100 N4 O6 Re2 -","- C80 H100 N4 O6 Re2 -","- C160 H200 N8 O12 Re4 -","2","0.5","","Cameron A. Lippert; Kenneth I. Hardcastle; Jake D. Soper","Harnessing Redox-Active Ligands for Low-Barrier Radical Addition at Oxorhenium Complexes","Inorganic Chemistry","2011","50","","9864","9878","10.1021/ic200923q","","","0.71073","MoKα","","0.0551","0.0433","","","0.1138","0.1244","","","","","","1.132","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326523","22.568","0.003","13.3559","0.0015","31.153","0.004","90","","100.928","0.002","90","","9220","2","173","1","173","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C89 H114 Cl2 N8 O12 Ti4 -","- C89 H114 Cl2 N8 O12 Ti4 -","- C356 H456 Cl8 N32 O48 Ti16 -","4","1","","Cesar M. Manna; Gad Armony; Edit Y. Tshuva","New Insights on the Active Species and Mechanism of Cytotoxicity of Salan-Ti(IV) Complexes: A Stereochemical Study","Inorganic Chemistry","2011","50","","10284","10291","10.1021/ic201340m","","","0.71073","MoKα","","0.1028","0.0896","","","0.2196","0.2274","","","","","","1.129","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326545","19.596","0.003","10.7838","0.0015","12.9491","0.0018","90","","107.988","0.002","90","","2602.6","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H27 Cs3 O3 -","- C24 H27 Cs3 O3 -","- C96 H108 Cs12 O12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.0166","0.0165","","","0.0414","0.0414","","","","","","1.001","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326712","15.8574","0.001","19.5918","0.0012","16.2711","0.0011","90","","90.944","0.004","90","","5054.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H84 Fe4 N2 S8 -","- C36 H84 Fe4 N2 S8 -","- C144 H336 Fe16 N8 S32 -","4","1","","Wayne Lo; Shaw Huang; Shao-Liang Zheng; R. H. Holm","Cubane-Type Fe4S4 Clusters with Chiral Thiolate Ligation: Formation by Ligand Substitution, Detection of Intermediates by 1H NMR, and Solid State Structures Including Spontaneous Resolution Upon Crystallization","Inorganic Chemistry","2011","50","","11082","11090","10.1021/ic2016269","","","0.71073","MoKα","","0.1056","0.0615","","","0.1432","0.1677","","","","","","1.007","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4327048","13.865","0.008","19.038","0.008","12.292","0.007","90","","121.69","0.03","90","","2761","3","213","2","213","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C58 H59 F6 O2 P5 Ru -","- C58 H59 F6 O2 P5 Ru -","- C116 H118 F12 O4 P10 Ru2 -","2","0.5","","Ramesh Vadavi; Eamonn D. Conrad; D. Ian Arbuckle; T. Stanley Cameron; Ernest Essoun; Manuel A.S. Aquino","Chiral Induction via the Disassembly of Diruthenium(II,III) Tetraacetate by Chiral Diphosphines","Inorganic Chemistry","2011","50","","11862","11864","10.1021/ic202013m","","","0.7107","MoKα","","0.0943","0.0403","","","0.1059","0.1245","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327049","13.7603","0.0006","18.9087","0.0007","12.2024","0.0006","90","","121.61","0.0017","90","","2703.9","0.2","123.1","","123.1","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C58 H59 F6 O2 P5 Ru -","- C58 H62 F6 O2 P5 Ru -","- C116 H124 F12 O4 P10 Ru2 -","2","0.5","","Ramesh Vadavi; Eamonn D. Conrad; D. Ian Arbuckle; T. Stanley Cameron; Ernest Essoun; Manuel A.S. Aquino","Chiral Induction via the Disassembly of Diruthenium(II,III) Tetraacetate by Chiral Diphosphines","Inorganic Chemistry","2011","50","","11862","11864","10.1021/ic202013m","","","0.7107","MoKα","","","0.0207","","","","0.0237","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327233","31.103","0.006","9.0456","0.0018","16.499","0.003","90","","100.43","0.03","90","","4565.2","1.6","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C24 H108 Cl16 Co4 N24 O32 P8 Zn8 -","- C24 H106 Cl16 Co4 N24 O32 P8 Zn8 -","- C48 H212 Cl32 Co8 N48 O64 P16 Zn16 -","2","0.5","","Peng Chen; Jiyang Li; Fangzheng Duan; Jihong Yu; Ruren Xu; Raj Pal Sharma","Syntheses and Characterizations of Three Low-Dimensional Chloride-Rich Zincophosphates Assembled about [d-Co(en)3]3+ and [dl-Co(en)3]3+ Complex Cations","Inorganic Chemistry","2007","46","","6683","6687","10.1021/ic062103+","","","0.71073","MoKα","","0.1685","0.086","","","0.1732","0.2434","","","","","","0.81","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327629","16.644","0.002","6.357","0.001","6.752","0.001","90","","108.12","0.01","90","","678.97","0.17","293","2","293","2","","","","","","","aqueous synthesis","5","C 1 2 1","C 2y","5","","catena-[(mu!2$-oxalato-0,0')-{aqua-bis(4-aminopyridine)-copper(II)}]","","- C12 H14 Cu N4 O5 -","- C12 H14 Cu N4 O5 -","- C24 H28 Cu2 N8 O10 -","2","0.5","","Oscar Castillo; Antonio Luque; Jon Sertucha; Pascual Román; Francesc Lloret","Synthesis, Crystal Structure, and Magnetic Properties of a One-Dimensional Polymeric Copper(II) Complex Containing an Unusual 1,1'-Bicoordinated Oxalato Bridge","Inorganic Chemistry","2000","39","","6142","6144","10.1021/ic000543+","","","0.71069","MoKα","","0.056","0.047","","0.057","","0.054","","","1.68","","","1.49","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327932","25.2029","0.0005","15.2891","0.0003","19.2077","0.0004","90","","93.553","0.001","90","","7387.1","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","Sc2C2@C80(C2v)/Co(OEP)","","","- C120 H46 Cl6 Co N4 Sc2 -","- C120 H46 Cl6 Co N4 Sc2 -","- C480 H184 Cl24 Co4 N16 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Makoto Hachiya; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","X-ray Structures of Sc2C2@C2n (n= 40-42): In-Depth Understanding of the Core-Shell Interplay in Carbide Cluster Metallofullerenes","Inorganic Chemistry","2012","51","","746","750","10.1021/ic202438u","","","0.71073","MoKα","","0.0645","0.054","","","0.149","0.1612","","","","","","1.029","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327933","25.0092","0.0004","15.4199","0.0003","19.3935","0.0003","90","","93.103","0.001","90","","7467.9","0.2","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","Sc2C2@C82(C3v)/Co(OEP)","","","- C122 H46 Cl6 Co N4 Sc2 -","- C122 H46.001 Cl6.003 Co N4 Sc2.002 -","- C488 H184.004 Cl24.012 Co4 N16 Sc8.008 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Makoto Hachiya; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","X-ray Structures of Sc2C2@C2n (n= 40-42): In-Depth Understanding of the Core-Shell Interplay in Carbide Cluster Metallofullerenes","Inorganic Chemistry","2012","51","","746","750","10.1021/ic202438u","","","0.71073","MoKα","","0.0828","0.0602","","","0.1585","0.1792","","","","","","1.043","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327964","23.545","0.016","8.979","0.006","13.021","0.009","90","","91.567","0.015","90","","2752","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C75 H51 N O4 Zn -","- C75 H51 N O4 Zn -","- C150 H102 N2 O8 Zn2 -","2","0.5","","Núria Aliaga-Alcalde; Laura Rodríguez; Marilena Ferbinteanu; Petra Höfer; Thomas Weyhermüller","Crystal Structure, Fluorescence, and Nanostructuration Studies of the First ZnII Anthracene-Based Curcuminoid","Inorganic Chemistry","2012","51","","864","873","10.1021/ic201420d","","","0.71073","MoKα","","0.1491","0.0638","","","0.1284","0.161","","","","","","1","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328179","16.124","0.005","4.7856","0.0014","15.443","0.005","90","","117.911","0.009","90","","1053","0.6","90","","90","","","","","","","","local laboratory","6","C 1 2 1","C 2y","5","","","","- C7 H12 Ag N O3 S -","- C7 H12 Ag N O3 S -","- C28 H48 Ag4 N4 O12 S4 -","4","1","","Noriko Chikaraishi Kasuga; Rie Yoshikawa; Yoshitaka Sakai; Kenji Nomiya","Syntheses, Structures, and Antimicrobial Activities of Remarkably Light-Stable and Water-Soluble Silver Complexes with Amino Acid Derivatives, Silver(I) N-Acetylmethioninates","Inorganic Chemistry","2012","51","","1640","1647","10.1021/ic201950p","","","0.71073","MoKα","","0.0385","0.036","","","0.0991","0.1015","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328400","19.025","0.004","7.3399","0.0012","16.552","0.003","90","","119.304","0.003","90","","2015.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H18 Cd3 O23 -","- C30 H18 Cd3 O23 -","- C60 H36 Cd6 O46 -","2","0.5","","Lina Li; Jingxin Ma; Cheng Song; Tianliang Chen; Zhihua Sun; Shuyun Wang; Junhua Luo; Maochun Hong","A 3D Polar Nanotubular Coordination Polymer with Dynamic Structural Transformation and Ferroelectric and Nonlinear-Optical Properties","Inorganic Chemistry","2012","51","","2438","2442","10.1021/ic202406f","","","0.71073","MoKα","","0.0321","0.0317","","","0.114","0.1156","","","","","","1.029","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328509","19.772","0.018","6.835","0.006","11.481","0.01","90","","98.18","0.03","90","","1536","2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C13 H12 Br0.41 Cl0.59 Mn N2 O6 -","- C13 H12 Br0.406 Cl0.594 Mn N2 O6 -","- C52 H48 Br1.624 Cl2.376 Mn4 N8 O24 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0868","0.0628","","","0.1453","0.156","","","","","","0.982","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328958","30.032","0.016","5.718","0.003","9.294","0.005","90","","103.177","0.008","90","","1554","1.4","173.1","","173.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C64 H56 Cu4 O24 -","4","1","","Makoto Moriya; Shingo Tominaga; Takayoshi Hashimoto; Kazuki Tanifuji; Tsuyoshi Matsumoto; Yasuhiro Ohki; Kazuyuki Tatsumi; Junichi Kaneshiro; Yoshiaki Uesu; Wataru Sakamoto; Toshinobu Yogo","Non-Centrosymmetric Coordination Polymer with a Highly Hindered Octahedral Copper Center Bridged by Mandelate","Inorganic Chemistry","2012","51","","4689","4693","10.1021/ic202669r","","","0.7107","MoKα","","","0.0523","","","","0.1245","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329105","12.856","0.002","22.321","0.004","10.5277","0.0014","90","","120.98","0.004","90","","2590.1","0.7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C40 H47 Cl2 Mn3 N4 Na O24 -","- C40 H47 Cl2 Mn3 N4 Na O24 -","- C80 H94 Cl4 Mn6 N8 Na2 O48 -","2","0.5","","Sandip Mukherjee; Yogesh P. Patil; Partha Sarathi Mukherjee","Two Novel Heterometallic Chains Featuring MnII and NaI Ions in Trigonal-Prismatic Geometries Alternately Linked to Octahedral MnIV Ions: Synthesis, Structures, and Magnetic Behavior","Inorganic Chemistry","2012","51","","4888","4890","10.1021/ic300209y","","","0.71073","MoKα","","0.1689","0.0752","","","0.1814","0.2334","","","","","","0.974","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329106","12.847","0.003","22.558","0.005","10.458","0.002","90","","120.78","0.03","90","","2603.8","1.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H50 Cl2 Mn3 N4 Na O24 -","- C44 H50 Cl2 Mn3 N4 Na O24 -","- C88 H100 Cl4 Mn6 N8 Na2 O48 -","2","0.5","","Sandip Mukherjee; Yogesh P. Patil; Partha Sarathi Mukherjee","Two Novel Heterometallic Chains Featuring MnII and NaI Ions in Trigonal-Prismatic Geometries Alternately Linked to Octahedral MnIV Ions: Synthesis, Structures, and Magnetic Behavior","Inorganic Chemistry","2012","51","","4888","4890","10.1021/ic300209y","","","0.71073","MoKα","","0.0651","0.0606","","","0.1623","0.1665","","","","","","1.059","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329230","22.1467","0.0006","27.5484","0.0008","31.0547","0.0008","90","","90.589","0.001","90","","18945.7","0.9","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","[LNi2]_3.2DMF_0.15iPr2O","","","- C72.5 H70.5 N7.2 Ni2 O9.35 -","- C72.5 H70.5 N7.33333 Ni2 O9.35 -","- C870 H846 N88 Ni24 O112.2 -","12","3","","Shigehisa Akine; Hiroki Nagumo; Tatsuya Nabeshima","Hierarchical Helix of Helix in the Crystal: Formation of Variable-Pitch Helical π-Stacked Array of Single-Helical Dinuclear Metal Complexes","Inorganic Chemistry","2012","51","","5506","5508","10.1021/ic3004273","","","0.71073","MoKα","","0.0574","0.0489","","","0.1312","0.1377","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329494","26.4129","0.001","15.305","0.0005","18.5707","0.0007","90","","108.184","0.004","90","","7132.3","0.5","167.7","","167.7","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C42 H133 F6 Mo3 O17 P7 S4 -","- C42 H79 F6 Mo3 O17 P7 S4 -","- C168 H316 F24 Mo12 O68 P28 S16 -","4","1","","Manuel G. Basallote; M. Jesús Fernández-Trujillo; Jose Ángel Pino-Chamorro; Tomás F. Beltrán; Carolina Corao; Rosa Llusar; Maxim Sokolov; Cristian Vicent","Water-Soluble Mo3S4 Clusters Bearing Hydroxypropyl Diphosphine Ligands: Synthesis, Crystal Structure, Aqueous Speciation, and Kinetics of Substitution Reactions","Inorganic Chemistry","2012","51","","6794","6802","10.1021/ic300517g","","","0.7107","MoKα","","0.0625","0.0508","","","0.1388","0.1491","","","","","","1.076","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4330398","19.606","0.002","6.8112","0.0007","15.1333","0.0016","90","","98.025","0.004","90","","2001.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H62 Mo N4 O4 -","- C38 H62 Mo N4 O4 -","- C76 H124 Mo2 N8 O8 -","2","0.5","","Martina E. Judmaier; Christof Holzer; Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo Complexes Employing Schiff Base Ligands with an Intramolecular Donor for Highly Selective Olefin Epoxidation","Inorganic Chemistry","2012","51","","9956","9966","10.1021/ic301464w","","","0.71073","MoKα","","0.0496","0.0478","","","0.1288","0.1305","","","","","","1.085","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330554","38.964","0.008","9.797","0.002","22.985","0.005","90","","102.02","0.03","90","","8582","3","150","","150","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C36.85 H56.3 Cl1.7 Co F6 N2 O3.3 Sb -","- C36.848 H56.304 Cl1.696 Co F6 N2 O3.304 Sb -","- C294.784 H450.432 Cl13.568 Co8 F48 N16 O26.432 Sb8 -","8","2","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.192","0.1081","","","0.2456","0.2946","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330700","13.1014","0.0008","12.8847","0.0008","23.4563","0.0015","90","","94.84","0.001","90","","3945.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","{Ni[pyN2N4(Me)2](OH)}, 0.5Et2O, Me4N","","","- C39 H59 N8 Ni O3.5 -","- C39 H59 N8 Ni O3.5 -","- C156 H236 N32 Ni4 O14 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0882","0.0701","","","0.1837","0.2033","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331198","21.095","0.012","12.889","0.006","19.284","0.01","90","","95.881","0.01","90","","5216","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H33 N5 O4 -","- C30 H33 N5 O4 -","- C240 H264 N40 O32 -","8","2","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0838","0.066","","","0.1715","0.1899","","","","","","1.026","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331730","24.474","0.003","9.4762","0.0013","11.7561","0.0013","90","","113.785","0.013","90","","2494.9","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H37 Cr0.5 O2 Si -","- C25 H37 Cr0.5 O2 Si -","- C100 H148 Cr2 O8 Si4 -","4","1","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.0767","0.0632","","","0.1664","0.1771","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332020","24.444","0.012","8.242","0.004","11.259","0.005","90","","105.045","0.008","90","","2190.6","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni4 O38 -","- C72 H84 N8 Ni4 O38 -","- C72 H84 N8 Ni4 O38 -","1","0.25","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","One Dense and Two Open Chiral Metal−Organic Frameworks: Crystal Structures and Physical Properties","Inorganic Chemistry","2006","45","7","2972","2978","10.1021/ic0520418","","","0.71073","MoKα","","0.0768","0.0589","","","0.1248","0.1288","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332021","24.495","0.009","8.32","0.002","11.375","0.003","90","","105.222","0.013","90","","2236.9","1.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 Co4 N8 O36 -","- C72 H80 Co4 N8 O36 -","- C72 H80 Co4 N8 O36 -","1","0.25","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","One Dense and Two Open Chiral Metal−Organic Frameworks: Crystal Structures and Physical Properties","Inorganic Chemistry","2006","45","7","2972","2978","10.1021/ic0520418","","","0.71073","MoKα","","0.0676","0.0577","","","0.171","0.1754","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332645","30.1194","0.001","27.7611","0.001","29.2933","0.001","90","","93.434","0.001","90","","24449.5","1.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C154 H482 Cl20 Cu49 N26 O313 Sm12 -","- C154 H300 Cl20 Cu49 N26 O313 Sm12 -","- C308 H600 Cl40 Cu98 N52 O626 Sm24 -","2","0.5","","Zhang, Jian-Jun; Hu, Sheng-Min; Xiang, Sheng-Chang; Sheng, Tianlu; Wu, Xin-Tao; Li, Ya-Min","Syntheses, Structures, and Properties of High-Nuclear 3d−4f Clusters with Amino Acid as Ligand: {Gd6Cu24}, {Tb6Cu26}, and {(Ln6Cu24)2Cu} (Ln= Sm, Gd)","Inorganic Chemistry","2006","45","18","7173","7181","10.1021/ic060610l","","","0.71073","MoKα","","","0.0869","","","0.2169","0.3228","","","","1.141","1.141","1.163","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332783","29.0204","0.0015","14.8456","0.0008","13.4913","0.0007","90","","100.314","0.001","90","","5718.5","0.5","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48 H24 Cl13 N6 O4 Ru2 -","- C48 H24 Cl13 N6 O4 Ru2 -","- C192 H96 Cl52 N24 O16 Ru8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.0604","0.0427","","","0.096","0.1022","","","","","","1.029","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332804","13.85","0.02","9.06","0.01","12.32","0.02","90","","116.3","0.05","90","","1386","3","93.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H38 N4 O20 Ta2 -","- C12 H38 N4 O20 Ta2 -","- C24 H76 N8 O40 Ta4 -","2","0.5","","Petrykin, Valery; Kakihana, Masato; Yoshioka, Kohtaro; Sasaki, Satoshi; Ueda, Yoshihiro; Tomita, Koji; Nakamura, Yoshiyuki; Shiro, Motoo; Kudo, Akihiko","Synthesis and Structure of New Water-Soluble and Stable Tantalum Compound: Ammonium Tetralactatodiperoxo-μ-oxo-ditantalate(V)","Inorganic Chemistry","2006","45","23","9251","9256","10.1021/ic060861u","","","0.7107","MoKα","","","0.054","","","","0.12","","","","","","0.91","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4332913","21.725","0.002","17.5813","0.0019","13.8866","0.0014","90","","98.358","0.002","90","","5247.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H24 N9 O12 Re3 S3 -","- C27 H24 N9 O12 Re3 S3 -","- C108 H96 N36 O48 Re12 S12 -","4","1","","Barbazán, Paula; Carballo, Rosa; Casas, José S.; García-Martínez, Emilia; Pereiras-Gabián, Gumersindo; Sánchez, Agustín; Vázquez-López, Ezequiel M.","Synthesis and Characterization of New Trimeric Rhenium(I) Complexes. The Influence of Steric Factors on the Size of Pyrazolonaterhenium(I) Metallomacrocycles","Inorganic Chemistry","2006","45","18","7323","7330","10.1021/ic061080w","","","0.71073","MoKα","","0.1252","0.07","","","0.1525","0.1742","","","","","","0.791","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332935","16.313","0.0015","9.8226","0.0009","9.3062","0.0009","90","","97.01","0.002","90","","1480","0.2","300","2","300","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H36 Cu2 F12 N6 O4 P2 -","- C16 H36 Cu2 F12 N6 O4 P2 -","- C32 H72 Cu4 F24 N12 O8 P4 -","2","0.5","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0523","0.0479","","","0.1368","0.1433","","","","","","1.037","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333139","15.3137","0.0018","14.1046","0.0017","12.8773","0.0015","90","","104.177","0.002","90","","2696.7","0.6","163","2","163","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H84 N2 O2 Pr2 -","- C58 H82 N2 O2 Pr2 -","- C116 H164 N4 O4 Pr4 -","2","0.5","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0415","0.0366","","","0.0899","0.0964","","","","","","1.136","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333696","24.559","0.002","9.5482","0.0009","11.6554","0.0011","90","","102.557","0.001","90","","2667.7","0.4","153","2","153","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H38 Cl2 N2 O2 Ru S2 -","- C26 H38 Cl2 N2 O2 Ru S2 -","- C104 H152 Cl8 N8 O8 Ru4 S8 -","4","1","","Peter O. Atolagbe; Krista N. Taylor; Samantha E. Wood; Arnold L. Rheingold; Lenora K. Harper; Craig A. Bayse; Tim J. Brunker","Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism","Inorganic Chemistry","2013","52","","1170","1172","10.1021/ic302188y","","","0.71073","MoKα","","0.0205","0.0199","","","0.0507","0.0512","","","","","","1.016","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4334038","42.169","0.008","7.269","0.0015","6.7494","0.0013","90","","98.48","0.03","90","","2046.3","0.7","298","0.2","298","0.2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Na6 O25 Se2 W6 -","- Na6 O25 Se2 W6 -","- Na24 O100 Se8 W24 -","4","1","","Sau Doan Nguyen; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of Two New Polar Sodium Tungsten Selenites: Na2(WO3)3(SeO3).2H2O and Na6(W6O19)(SeO3)2","Inorganic Chemistry","2013","52","","2637","2647","10.1021/ic3026705","","","0.71073","MoKα","","0.0331","0.032","","","0.0821","0.0895","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334061","26.132","0.0012","10.2475","0.0003","9.0981","0.0004","90","","106.497","0.002","90","","2336.07","0.17","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H25 F6 N2 Os P -","- C23 H25 F6 N2 Os P -","- C92 H100 F24 N8 Os4 P4 -","4","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0388","0.0343","","","0.0906","0.1002","","","","","","1.137","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334086","11.2651","0.0014","14.3738","0.0014","8.4335","0.001","90","","94.122","0.002","90","","1362","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H39 Cl2 N2 O4 Sc -","- C26 H39 Cl2 N2 O4 Sc -","- C52 H78 Cl4 N4 O8 Sc2 -","2","0.5","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.0282","0.0261","","","0.0697","0.071","","","","","","1.056","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334087","11.2272","0.0003","14.6423","0.0003","8.5086","0.0001","90","","94.73","0.002","90","","1393.98","0.05","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H39 Cl2 N2 O4 Y -","- C26 H39 Cl2 N2 O4 Y -","- C52 H78 Cl4 N4 O8 Y2 -","2","0.5","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.0283","0.0271","","","0.0587","0.059","","","","","","1.009","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334088","11.2404","0.0017","14.685","0.002","8.5239","0.0017","90","","94.719","0.006","90","","1402.2","0.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H39 Cl2 Dy N2 O4 -","- C26 H39 Cl2 Dy N2 O4 -","- C52 H78 Cl4 Dy2 N4 O8 -","2","0.5","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.0285","0.0258","","","0.0711","0.0777","","","","","","1.134","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334714","22.93","0.005","13.253","0.003","18.056","0.004","90","","118.678","0.011","90","","4814","1.9","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H38 Cl2 N4 O27 Pt2 S2 -","- C32 H38 Cl2 N4 O27 Pt2 S2 -","- C128 H152 Cl8 N16 O108 Pt8 S8 -","4","1","","Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno","Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose","Inorganic Chemistry","2013","52","","5350","5358","10.1021/ic400287g","","","0.71075","MoKα","","0.0321","0.0257","","","0.0495","0.0522","","","","","","0.995","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4335894","22.757","0.005","7.6987","0.0015","7.2625","0.0015","90","","90.948","0.003","90","","1272.2","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","[Zn(L-tzep)(H2O)2].H2O","[Zn(L-tzep)(H2O)2].H2O","","- C8 H17 N5 O5 Zn -","- C8 H17 N5 O5 Zn -","- C32 H68 N20 O20 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0199","0.0186","","","0.0396","0.0399","","","","","","1.015","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335895","22.911","0.002","7.7031","0.0006","7.361","0.0007","90","","90.668","0.006","90","","1299","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","[Zn(R-tzep)(H2O)2].H2O","[Zn(R-tzep)(H2O)2].H2O","","- C8 H17 N5 O5 Zn -","- C8 H17 N5 O5 Zn -","- C32 H68 N20 O20 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0261","0.0228","","","0.0413","0.0421","","","","","","1.007","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4336342","13.538","0.011","5.474","0.004","8.394","0.006","90","","108.993","0.009","90","","588.2","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Au I4 O12 Rb -","- Au I4 O12 Rb -","- Au2 I8 O24 Rb2 -","2","0.5","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.057","0.0565","","","0.1499","0.1504","","","","","","1.078","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336343","13.7753","0.0016","5.5886","0.0003","8.4817","0.0007","90","","108.94","0.013","90","","617.61","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Au Cs I4 O12 -","- Au Cs I4 O12 -","- Au2 Cs2 I8 O24 -","2","0.5","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.0315","0.0305","","","0.0674","0.0679","","","","","","0.987","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336549","14.23","0.005","10.235","0.003","11.719","0.003","90","","96.81","0.03","90","","1694.8","0.9","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H40 Cl6 N6 -","- C27.996 H39.996 Cl5.988 N6 -","- C55.992 H79.992 Cl11.976 N12 -","2","0.5","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.1094","0.0496","","","0.0855","0.1083","","","","","","1.019","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336557","20.453","0.005","15.18","0.003","11.963","0.004","90","","117.12","0.03","90","","3305.9","1.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H40.6 N9 O10.3 Tb -","- C26 H40 N9 O10.31 Tb -","- C104 H160 N36 O41.24 Tb4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0302","0.0254","","","0.0445","0.0461","","","","","","1.013","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336685","16.789","0.004","20.843","0.004","21.923","0.004","90","","109.19","0.03","90","","7245","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 Dy6 N20 O46 -","- C116 H198 Dy6 N20 O46 -","- C232 H396 Dy12 N40 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0406","0.0334","","","0.0763","0.0781","","","","","","1.008","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336689","16.546","0.004","20.898","0.004","22.017","0.004","90","","109.29","0.03","90","","7186","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C113.6 H198.8 N20 O44.8 Sm6 -","- C113.52 H188.08 N20 O44.66 Sm6 -","- C227.04 H376.16 N40 O89.32 Sm12 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0495","0.042","","","0.1077","0.1104","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336690","16.783","0.004","20.9","0.004","21.933","0.004","90","","109.39","0.03","90","","7257","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 Gd6 N20 O46 -","- C116 H198 Gd6 N20 O46 -","- C232 H396 Gd12 N40 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0499","0.0396","","","0.0886","0.0913","","","","","","1.002","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336691","16.84","0.004","20.925","0.004","21.945","0.004","90","","109.35","0.03","90","","7296","3","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 Gd6 N20 O46 -","- C116 H198 Gd6 N20 O46 -","- C232 H396 Gd12 N40 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0451","0.0439","","","0.0951","0.0958","","","","","","1.046","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336692","16.754","0.004","21.039","0.004","22.024","0.004","90","","109.66","0.03","90","","7311","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 N20 Nd6 O46 -","- C116 H198 N20 Nd6 O46 -","- C232 H396 N40 Nd12 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0583","0.0442","","","0.1004","0.1042","","","","","","1.016","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4337082","18.75","0.011","9.636","0.005","14.324","0.004","90","","93.26","0.02","90","","2584","2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H73 K2 N9 Ni2 O7 -","- C39 H66 K2 N9 Ni2 O7 -","- C78 H132 K4 N18 Ni4 O14 -","2","0.5","","Gómez-Coca, Silvia; Cremades, Eduard; Aliaga-Alcalde, Núria; Ruiz, Eliseo","Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex.","Inorganic chemistry","2014","53","2","676","678","10.1021/ic402256v","","","0.71073","MoKα","","0.0446","0.0389","","","0.1088","0.1172","","","","","","1.109","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337158","18.1662","0.0009","17.0073","0.0009","12.9425","0.0007","90","","130.851","0.001","90","","3024.7","0.3","100","","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H52 Cl4 N4 O8 Pt2 Ru2 -","- C52 H52 Cl4 N4 O8 Pt2 Ru2 -","- C104 H104 Cl8 N8 O16 Pt4 Ru4 -","2","0.5","","Saha, Sumit; Captain, Burjor","Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.","Inorganic chemistry","2014","53","2","1210","1216","10.1021/ic402832b","","","0.71073","MoKα","","0.0324","0.0309","","","0.0939","0.0947","","","","","","1.056","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337166","19.88","0.002","8.5182","0.001","15.1491","0.0016","90","","112.735","0.007","90","","2366.1","0.5","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H44 B4 Ca N2 O2 -","- C12 H44 B4 Ca N2 O2 -","- C48 H176 B16 Ca4 N8 O8 -","4","1","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.0863","0.0467","","","0.1001","0.1171","","","","","","0.972","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337422","26.8568","0.0004","30.8169","0.0004","17.4524","0.0003","90","","94.508","0.002","90","","14399.7","0.4","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C139.75 H195.5 Mo4 N4 O36 -","- C135.45 H174.8 Mo4 N4 O31.82 -","- C541.8 H699.2 Mo16 N16 O127.28 -","4","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.0963","0.0812","","","0.2392","0.2517","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337582","25.86","0.002","13.5459","0.0009","23.8311","0.0019","90","","118.045","0.002","90","","7367.7","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Zn2DPO.DAP","","","- C79 H88 N10 O Zn2 -","- C79 H88 N10 O Zn2 -","- C316 H352 N40 O4 Zn8 -","4","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.0745","0.0537","","","0.1029","0.1163","","","","","","0.949","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337584","26.094","0.002","13.6168","0.001","24.0581","0.0019","90","","119.703","0.001","90","","7425.1","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Zn2DPO.PPDA","","","- C85 H92 N10 O Zn2 -","- C85 H92 N10 O Zn2 -","- C340 H368 N40 O4 Zn8 -","4","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.0879","0.065","","","0.1552","0.1759","","","","","","1.005","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337585","26.6269","0.0016","13.4266","0.0007","24.865","0.0012","90","","121.501","0.002","90","","7579.4","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Zn2DPO.PEDA","","","- C173 H189 Cl10 N20 O2 Zn4 -","- C173 H189 Cl10 N20 O2 Zn4 -","- C346 H378 Cl20 N40 O4 Zn8 -","2","0.5","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.066","0.0564","","","0.144","0.1509","","","","","","1.02","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337586","25.188","0.005","14.481","0.003","23.119","0.004","90","","101.694","0.003","90","","8258","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Zn2DPO.DPEA","","","- C92 H96 Cl6 N10 O Zn2 -","- C92 H96 Cl6 N10 O Zn2 -","- C368 H384 Cl24 N40 O4 Zn8 -","4","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.1377","0.0785","","","0.1722","0.2128","","","","","","1.045","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337798","31.6945","0.0007","18.9206","0.0005","23.8228","0.0005","90","","109.815","0.001","90","","13440.2","0.5","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C116 H112 Ag2 B2 F8 N8 O16 -","- C116 H112 Ag2 B2 F8 N8 O16 -","- C464 H448 Ag8 B8 F32 N32 O64 -","4","1","","Xi, Xiaobing; Liu, Yan; Cui, Yong","Homochiral silver-based coordination polymers exhibiting temperature-dependent photoluminescence behavior.","Inorganic chemistry","2014","53","5","2352","2354","10.1021/ic4027865","","","1.54178","CuKα","","0.0868","0.073","","","0.1995","0.2132","","","","","","1.042","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337799","51.6398","0.0014","13.6915","0.0004","17.593","0.0005","90","","102.828","0.001","90","","12128.3","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C106 H112 Ag2 Cl2 N9 O23 -","- C106 H112 Ag2 Cl2 N9 O23 -","- C424 H448 Ag8 Cl8 N36 O92 -","4","1","","Xi, Xiaobing; Liu, Yan; Cui, Yong","Homochiral silver-based coordination polymers exhibiting temperature-dependent photoluminescence behavior.","Inorganic chemistry","2014","53","5","2352","2354","10.1021/ic4027865","","","1.54178","CuKα","","0.0783","0.0756","","","0.1996","0.204","","","","","","1.038","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4338068","26.15","0.01","15.464","0.005","9.002","0.003","90","","103.994","0.006","90","","3532","2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H23 Cl2 Co N7 O -","- C27 H23 Cl2 Co N7 O -","- C108 H92 Cl8 Co4 N28 O4 -","4","1","","Fu, Hong-Ru; Kang, Yao; Zhang, Jian","Highly Selective Sorption of Small Hydrocarbons and Photocatalytic Properties of Three Metal-Organic Frameworks Based on Tris(4-(1H-imidazol-1-yl)phenyl)amine Ligand.","Inorganic chemistry","2014","53","8","4209","4214","10.1021/ic5003226","","","0.71073","MoKα","","0.0674","0.0608","","","0.1778","0.1835","","","","","","1.04","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338207","17.4724","0.0006","10.0996","0.0003","14.569","0.0005","90","","101.879","0.001","90","","2515.85","0.14","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H31 Fe N4 P -","- C30 H31 Fe N4 P -","- C120 H124 Fe4 N16 P4 -","4","1","","Williams, Valerie A.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Lobkovsky, Emil B.; Cundari, Thomas R.","Iron Complexes Derived from {nacnac-(CH2py)2}(-) and {nacnac-(CH2py)(CHpy)}(n) Ligands: Stabilization of Iron(II) via Redox Noninnocence.","Inorganic chemistry","2014","53","9","4459","4474","10.1021/ic5001123","","","0.71073","MoKα","","0.0256","0.0233","","","0.058","0.0591","","","","","","1.006","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338886","18.5409","0.0017","11.9085","0.0011","23.836","0.002","90","","110.051","0.002","90","","4943.9","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61.5 H44 Br2 N6 O Zn -","- C61.5 H44 Br2 N6 O Zn -","- C246 H176 Br8 N24 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Metalloporphyrin-based inclusion materials: exploiting ligating topologies and hydrogen-bonding backbones in generating new supramolecular architectures.","Inorganic chemistry","2007","46","18","7351","7361","10.1021/ic0702163","","","0.71073","MoKα","","0.044","0.0378","","","0.0893","0.0924","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338888","18.5279","0.0011","11.8843","0.0007","23.8153","0.0015","90","","109.562","0.001","90","","4941.2","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C63.5 H50 N6 O Zn -","- C63.5 H50 N6 O Zn -","- C254 H200 N24 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Metalloporphyrin-based inclusion materials: exploiting ligating topologies and hydrogen-bonding backbones in generating new supramolecular architectures.","Inorganic chemistry","2007","46","18","7351","7361","10.1021/ic0702163","","","0.71073","MoKα","","0.0395","0.0351","","","0.0798","0.0817","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339624","18.9576","0.001","9.5095","0.0005","14.4516","0.0008","90","","100.495","0.001","90","","2561.7","0.2","98","2","98","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H23 Cl N4 O8 Re -","- C22 H23 Cl N4 O8 Re -","- C88 H92 Cl4 N16 O32 Re4 -","4","1","","Wang, Peijiao; Miller, Jeremiah E.; Henling, Lawrence M.; Stern, Charlotte L.; Frank, Natia L.; Eckermann, Amanda L.; Meade, Thomas J.","Synthesis and characterization of ruthenium and rhenium nucleosides.","Inorganic chemistry","2007","46","23","9853","9862","10.1021/ic701250r","","","0.71073","MoKα","","0.0356","0.0337","","","0.0806","0.081","","","","","","2.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4339986","15.2834","0.0014","5.5468","0.0005","11.2272","0.001","90","","131.481","0.004","90","","713.05","0.12","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Bi6 Co O16 S2 -","- Bi6 Co O16 S2 -","- Bi12 Co2 O32 S4 -","2","0.5","","Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier","Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.","Inorganic chemistry","2014","53","13","6969","6978","10.1021/ic500877z","","","0.71073","MoKα","","0.046","0.038","","","0.0364","0.0374","","","","1.41","1.41","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340180","30.9279","0.0013","32.8938","0.0011","37.034","0.002","90","","105.942","0.002","90","","36227","3","153.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C125.5 H173.5 Cu4 N12 O47.75 P2 -","- C125.5 H115 Cu4 N12 O47.75 P2 -","- C1004 H920 Cu32 N96 O382 P16 -","8","2","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.093","","","","0.213","","","","","","1.391","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340333","20.0456","0.0015","8.7754","0.0006","5.5713","0.0004","90","","103.404","0.007","90","","953.34","0.12","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H10 N -","- C13 H10 N -","- C52 H40 N4 -","4","1","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","1.5418","CuKα","","0.0309","0.0305","","","0.0884","0.0889","","","","","","1.14","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340494","26.095","0.003","7.4603","0.0007","28.384","0.003","90","","111.599","0.002","90","","5137.7","0.9","296","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H50 Cl4 N6 O4 Pb2 -","- C54 H50 Cl4 N6 O4 Pb2 -","- C216 H200 Cl16 N24 O16 Pb8 -","4","1","","Zhang, Kun; Jin, Chao; Sun, Yuchen; Chang, Feifan; Huang, Wei","Base-Induced Self-Assembly for One-Dimensional Coordination Polymers via Chiral Pendant-Armed Schiff Base Mononuclear Pb(II) Macrocycles.","Inorganic chemistry","2014","53","15","7803","","10.1021/ic5008846","","","0.71073","MoKα","","0.0691","0.0627","","","0.1692","0.1749","","","","","","1.198","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340579","18.743","0.0003","10.7164","0.0002","15.8474","0.0002","90","","95.438","0.001","90","","3168.74","0.09","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H31 Fe N12 Na3 O12.5 -","- C21 H31 Fe N12 Na3 O12.5 -","- C84 H124 Fe4 N48 Na12 O50 -","4","1","","Park, Ka Hyun; Lee, Kang Mun; Go, Min Jeong; Choi, Sung Ho; Park, Hyoung-Ryun; Kim, Youngjo; Lee, Junseong","New Class of Scorpionate: Tris(tetrazolyl)-Iron Complex and Its Different Coordination Modes for Alkali Metal Ions.","Inorganic chemistry","2014","53","16","8213","8220","10.1021/ic5002336","","","0.71073","MoKα","","0.0313","0.0308","","","0.0954","0.0958","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340946","15.585","0.004","21.919","0.005","8.214","0.002","90","","103.41","0.004","90","","2729.5","1.1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H24 Ca N2 O12 -","- C30 H24 Ca N2 O12 -","- C120 H96 Ca4 N8 O48 -","4","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0488","0.0438","","","0.0971","0.0995","","","","","","1.005","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341118","29.858","0.0018","17.4887","0.001","28.7963","0.0017","90","","105.65","0.002","90","","14479.3","1.5","103","2","103","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C150 H132 Cl18 Cu6 O6 P6 -","- C150 H132 Cl18 Cu6 O6 P6 -","- C600 H528 Cl72 Cu24 O24 P24 -","4","1","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.1405","0.0672","","","0.1511","0.1983","","","","","","0.991","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341419","21.763","0.0006","11.0749","0.0004","19.5074","0.0005","90","","92.76","0.003","90","","4696.3","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","L-1","","","- C40 H51 Cu3 N2 O23 -","- C40 H44 Cu3 N2 O23 -","- C160 H176 Cu12 N8 O92 -","4","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","0.71073","MoKα","","0.0414","0.0363","","","0.096","0.1","","","","","","1.005","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341420","21.78","0.0003","10.8551","0.0001","19.4405","0.0003","90","","92.088","0.001","90","","4593.15","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","1-D","","","- C40 H51 Cu3 N2 O23 -","- C40 H44 Cu3 N2 O23 -","- C160 H176 Cu12 N8 O92 -","4","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","1.54178","CuKα","","0.0376","0.0359","","","0.1136","0.1186","","","","","","1.023","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341815","20.931","0.0009","10.3138","0.0004","12.3702","0.0005","90","","124.115","0.001","90","","2210.91","0.16","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48 H40 Ag Br N2 P6 -","- C48 H40 Ag Br N2 P6 -","- C96 H80 Ag2 Br2 N4 P12 -","2","0.5","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.0392","0.0323","","","0.0669","0.0697","","","","","","1.031","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341817","21.2636","0.0018","10.1246","0.0007","15.184","0.0012","90","","133.915","0.005","90","","2354.8","0.4","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C49 H42 Br Cl2 Cu N2 P6 -","- C49 H42 Br Cl2 Cu N2 P6 -","- C98 H84 Br2 Cl4 Cu2 N4 P12 -","2","0.5","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.0503","0.0472","","","0.127","0.1302","","","","","","1.032","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341904","20.103","0.005","6.798","0.0013","9.611","0.002","90","","112.375","0.008","90","","1214.6","0.5","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Marbey, Jonathan J.; Hill, Stephen; Roubeau, Olivier; Parsons, Simon; Murrie, Mark","Field-Induced Slow Relaxation in a Monometallic Manganese(III) Single-Molecule Magnet.","Inorganic chemistry","2015","54","1","13","15","10.1021/ic5024136","","","0.71073","MoKα","","0.0393","0.0341","","0.0764","0.0747","0.0764","","","","","","0.9465","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342127","13.67681","0.00015","7.86858","0.00009","4.85157","0.00003","90","","89.843","0.0009","90","","522.11","0.009","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Al3.774 Gd3 N1.226 O12.774 Si2.226 -","- Al3.774 Gd3 N1.226 O12.774 Si2.226 -","- Al7.548 Gd6 N2.452 O25.548 Si4.452 -","2","0.5","","Park, Woon Bae; Singh, Satendra Pal; Kim, Minseuk; Sohn, Kee-Sun","Combinatorial Screening of Luminescent and Structural Properties in a Ce(3+)-Doped Ln-Al-Si-O-N (Ln = Y, La, Gd, Lu) System: The Discovery of a Novel Gd3Al3+xSi3-xO12+xN2-x:Ce(3+) Phosphor.","Inorganic chemistry","2015","54","4","1829","1840","10.1021/ic502721h","powder diffraction","","1.4647","Synchrotron","","","","","","","","","3.4335","1.3077","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342449","25.4616","0.0014","11.4944","0.0005","9.9551","0.0005","90","","112.315","0.004","90","","2695.3","0.2","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","Δ-Bis{(R)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Cl4 Cu2 N4 O4 -","- C60 H52 Cl4 Cu2 N4 O4 -","- C120 H104 Cl8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0747","0.0452","","","0.0829","0.0933","","","","","","1.045","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342450","25.576","0.005","11.496","0.002","10.0391","0.0017","90","","111.776","0.013","90","","2741.1","0.9","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","Δ-Bis{(R)-N-(1-(4-bromophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Br4 Cu2 N4 O4 -","- C60 H52 Br4 Cu2 N4 O4 -","- C120 H104 Br8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.1296","0.0625","","","0.1322","0.1567","","","","","","1.016","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342453","25.4474","0.0009","11.4921","0.0004","9.9626","0.0004","90","","112.258","0.001","90","","2696.41","0.17","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","Λ-Bis{(S)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Cl4 Cu2 N4 O4 -","- C60 H52 Cl4 Cu2 N4 O4 -","- C120 H104 Cl8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.041","0.0305","","","0.0586","0.0621","","","","","","1.005","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342454","25.442","0.003","11.4723","0.0012","9.9846","0.001","90","","111.797","0.002","90","","2705.9","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Λ-Bis{(S)-N-(1-(4-bromophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Br4 Cu2 N4 O4 -","- C60 H52 Br4 Cu2 N4 O4 -","- C120 H104 Br8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0336","0.0298","","","0.0705","0.0718","","","","","","1.026","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342629","21.6534","0.0003","8.8421","0.0001","17.9476","0.0003","90","","105.063","0.002","90","","3318.21","0.09","226","2","226","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C116 H108 Cl8 F24 N16 O8 P4 Ru4 S4 -","4","1","","Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui","Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.","Inorganic chemistry","2015","54","6","2726","2733","10.1021/ic502898e","","","1.54178","CuKα","","0.0323","0.0301","","","0.0753","0.0772","","","","","","1.035","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342630","21.565","0.0002","8.796","0.0001","17.914","0.0002","90","","105.105","0.001","90","","3280.63","0.06","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C116 H108 Cl8 F24 N16 O8 P4 Ru4 S4 -","4","1","","Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui","Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.","Inorganic chemistry","2015","54","6","2726","2733","10.1021/ic502898e","","","1.54178","CuKα","","0.042","0.0416","","","0.1149","0.1155","","","","","","1.103","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342687","25.339","0.011","14.944","0.006","19.147","0.008","90","","93.844","0.005","90","","7234","5","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","Sm@C76/NiOEP/0.86(bz)0.14(CF)","","","- C114.75 H46.75 Cl2 N4 Ni Sm -","- C114.879 H46.879 Cl1.869 N4 Ni Sm -","- C459.516 H187.516 Cl7.476 N16 Ni4 Sm4 -","4","1","","Hao, Yajuan; Feng, Lai; Xu, Wei; Gu, Zhenggen; Hu, Ziqi; Shi, Zujin; Slanina, Zdeněk; Uhlík, Filip","Sm@C2v(19138)-C76: A Non-IPR Cage Stabilized by a Divalent Metal Ion.","Inorganic chemistry","2015","54","9","4243","4248","10.1021/ic502911v","","","0.71073","MoKα","","0.1326","0.1201","","","0.299","0.3076","","","","","","1.034","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4344041","13.2606","0.0011","29.6449","0.0019","8.4799","0.0006","90","","121.965","0.005","90","","2828.1","0.4","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H42 N6 Ni O17 U2 -","- C60 H40 N6 Ni O17 U2 -","- C120 H80 N12 Ni2 O34 U4 -","2","0.5","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0691","0.0475","","","0.1182","0.1256","","","","","","1.047","","","","has coordinates","160494","2020-10-21","18:00:00",""
"4344365","5.9462","","10.299","","6.687","","90","","107.25","","90","","391.091","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Cu V ( P S3)2","","- Cu P2 S6 V -","- Cu0.96 P2 S6 V -","- Cu1.92 P4 S12 V2 -","2","0.5","","Durand, E.; Ouvrard, G.; Evain, M.; Brec, R.","Split model description of the copper site distribution in the new layered (2D) copper vanadium phosphorus sulfide (CuIVIIIP2S6) phase","Inorganic Chemistry","1990","29","","4916","4920","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345401","12.136","0.002","10.0426","0.0017","7.7896","0.0013","90","","95.849","0.004","90","","944.4","0.3","297","2","297","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Cs2 O8 Si2 U -","- Cs2 O8 Si2 U -","- Cs8 O32 Si8 U4 -","4","1","","Morrison, Gregory; Smith, Mark D.; Zur Loye, Hans-Conrad","Flux versus Hydrothermal Growth: Polymorphism of A2(UO2)Si2O6 (A = Rb, Cs).","Inorganic chemistry","2017","56","3","1053","1056","10.1021/acs.inorgchem.6b02931","","","0.71073","MoKα","","0.0335","0.0298","","","0.0688","0.0704","","","","","","1.012","","","","has coordinates","192960","2020-10-21","18:00:00",""
"4345676","17.833","0.003","10.295","0.003","13.216","0.003","90","","121.406","0.005","90","","2070.9","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H64 N2 O4 Si8 Yb -","- C24 H64 N2 O4 Si8 Yb -","- C48 H128 N4 O8 Si16 Yb2 -","2","0.5","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0659","0.0659","","","0.1769","0.1769","","","","","","1.117","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4346350","22.6467","0.001","13.5115","0.0006","16.215","0.0007","90","","107.93","","90","","4720.7","0.4","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H33 Ag3 I6 N8 Ni -","- C40 H33 Ag3 I6 N8 Ni -","- C160 H132 Ag12 I24 N32 Ni4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0247","0.0224","","","0.0472","0.0479","","","","","","1.01","","","","has coordinates","231737","2020-10-21","18:00:00",""
"4346673","14.8505","0.0004","33.5574","0.0011","11.3102","0.0003","90","","97.772","0.001","90","","5584.6","0.3","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C47 H30 Cd F4 I3 Ir N6 O -","- C47 H30 Cd F4 I3 Ir N6 O -","- C188 H120 Cd4 F16 I12 Ir4 N24 O4 -","4","1","","Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.","Inorganic chemistry","2015","54","21","10429","10439","10.1021/acs.inorgchem.5b01910","","","0.71073","MoKα","","0.0448","0.0327","","","0.0942","0.0987","","","","","","1.057","","","","has coordinates,has disorder","231913","2020-10-21","18:00:00",""
"4346683","20.79","0.003","13.234","0.002","30.305","0.003","90","","100.99","0.01","90","","8185","1.9","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C123 H168 Cl12 Co6 O40 P12 -","- C123 H168 Cl12 Co6 O40 P12 -","- C246 H336 Cl24 Co12 O80 P24 -","2","0.5","","Zaręba, Jan K; Białek, Michał J; Janczak, Jan; Nyk, Marcin; Zoń, Jerzy; Samoć, Marek","Beyond Single-Wavelength SHG Measurements: Spectrally-Resolved SHG Studies of Tetraphosphonate Ester Coordination Polymers.","Inorganic chemistry","2015","54","22","10568","10575","10.1021/acs.inorgchem.5b01939","","","0.71073","MoKα","","0.2003","0.0668","","","0.126","0.177","","","","","","1.02","","","","has coordinates","231922","2020-10-21","18:00:00",""
"4346684","20.7866","0.001","13.3229","0.0006","30.693","0.0015","90","","100.646","0.005","90","","8353.7","0.7","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C123 H176 Br12 Co6 O40 P12 -","- C123 H176 Br12 Co6 O40 P12 -","- C246 H352 Br24 Co12 O80 P24 -","2","0.5","","Zaręba, Jan K; Białek, Michał J; Janczak, Jan; Nyk, Marcin; Zoń, Jerzy; Samoć, Marek","Beyond Single-Wavelength SHG Measurements: Spectrally-Resolved SHG Studies of Tetraphosphonate Ester Coordination Polymers.","Inorganic chemistry","2015","54","22","10568","10575","10.1021/acs.inorgchem.5b01939","","","0.71073","MoKα","","0.1886","0.053","","","0.0743","0.0803","","","","","","1.009","","","","has coordinates","231922","2020-10-21","18:00:00",""
"4346850","32.726","0.007","10.721","0.002","25.497","0.005","90","","114.88","0.03","90","","8116","3","150","2","150.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 O27 Pr2 -","- C62 H36 Cl2 Mn2 N12 O27 Pr2 -","- C248 H144 Cl8 Mn8 N48 O108 Pr8 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.0778","0.0755","","","0.1896","0.1906","","","","","","1.255","","","","has coordinates,has disorder","232014","2020-10-21","18:00:00",""
"4346851","32.763","0.007","10.803","0.002","25.554","0.005","90","","114.82","0.03","90","","8209","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 Nd2 O27 -","- C62 H36 Cl2 Mn2 N12 Nd2 O27 -","- C248 H144 Cl8 Mn8 N48 Nd8 O108 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.1353","0.082","","","0.16","0.1761","","","","","","0.977","","","","has coordinates,has disorder","232015","2020-10-21","18:00:00",""
"4346852","32.571","0.007","10.734","0.002","25.464","0.005","90","","114.71","0.03","90","","8087","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 O27 Sm2 -","- C62 H36 Cl2 Mn2 N12 O27 Sm2 -","- C248 H144 Cl8 Mn8 N48 O108 Sm8 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.0992","0.098","","","0.2403","0.2409","","","","","","1.199","","","","has coordinates,has disorder","232016","2020-10-21","18:00:00",""
"4346853","32.393","0.007","10.749","0.002","25.39","0.005","90","","114.29","0.03","90","","8058","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Gd2 Mn2 N12 O27 -","- C62 H36 Cl2 Gd2 Mn2 N12 O27 -","- C248 H144 Cl8 Gd8 Mn8 N48 O108 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.074","0.0642","","","0.1703","0.1764","","","","","","1.049","","","","has coordinates,has disorder","232017","2020-10-21","18:00:00",""
"4346900","17.437","0.013","10.02","0.007","17.902","0.014","90","","117.903","0.011","90","","2764","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H24 N15 O2 Zn2 -","- C18 H24 N15 O2 Zn2 -","- C72 H96 N60 O8 Zn8 -","4","1","","Wang, Fei; Tang, Yu-Huan; Zhang, Jian","Achievement of Bulky Homochirality in Zeolitic Imidazolate-Related Frameworks.","Inorganic chemistry","2015","54","23","11064","11066","10.1021/acs.inorgchem.5b02337","","","0.71073","MoKα","","0.0505","0.0427","","","0.0963","0.0984","","","","","","0.893","","","","has coordinates","232053","2020-10-21","18:00:00",""
"4347398","10.7045","0.0004","34.7385","0.0012","17.986","0.0006","90","","101.069","0.001","90","","6563.8","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C55.5 H39.5 Ba3 La0.5 N2 O18.5 -","- C55.5 H36.5 Ba3 La0.5 N O18.5 -","- C222 H146 Ba12 La2 N4 O74 -","4","1","","Ding, Bin; Liu, Shi Xin; Cheng, Yue; Guo, Chao; Wu, Xiang Xia; Guo, Jian Hua; Liu, Yuan Yuan; Li, Yan","Heterometallic Alkaline Earth-Lanthanide Ba(II)-La(III) Microporous Metal-Organic Framework as Bifunctional Luminescent Probes of Al(3+) and MnO4(.).","Inorganic chemistry","2016","55","9","4391","4402","10.1021/acs.inorgchem.6b00111","","","0.71073","MoKα","","0.0333","0.0317","","","0.0804","0.0814","","","","","","1.055","","","","has coordinates,has disorder","232304","2020-10-21","18:00:00",""
"4347575","21.841","0.002","12.0898","0.0012","12.36","0.0012","90","","99.878","0.002","90","","3215.3","0.5","90","","90","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 Cl2 N4 O3 Zn2 -","- C29 H48 Cl2 N4 O3 Zn2 -","- C116 H192 Cl8 N16 O12 Zn8 -","4","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0255","0.022","","","0.0518","0.0531","","","","","","1.033","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347725","23.7369","0.0004","14.0057","0.0002","20.0866","0.0003","90","","97.851","0.002","90","","6615.23","0.18","156","3","156","3","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H50 Cl6 F12 Ir2 N12 P2 -","- C63 H49.25 Cl6 F12 Ir2 N12 P2 -","- C252 H197 Cl24 F48 Ir8 N48 P8 -","4","1","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","","1.54178","CuKα","","0.0774","0.0764","","","0.1957","0.1986","","","","","","1.034","","","","has coordinates,has disorder","232469","2020-10-21","18:00:00",""
"4348024","22.771","0.004","13.153","0.0014","15.402","0.002","90","","130.597","0.008","90","","3502.7","0.9","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H22 N6 O4 Ru -","- C32 H22 N6 O4 Ru -","- C128 H88 N24 O16 Ru4 -","4","1","","Beauvilliers, Evan E.; Meyer, Gerald J.","Evidence for Cation-Controlled Excited-State Localization in a Ruthenium Polypyridyl Compound.","Inorganic chemistry","2016","55","15","7517","7526","10.1021/acs.inorgchem.6b00876","","","1.54178","CuKα","","0.0327","0.0319","","","0.0804","0.0809","","","","","","1.032","","","","has coordinates","232653","2020-10-21","18:00:00",""
"4348027","21.719","0.003","19.469","0.002","20.835","0.002","90","","108.856","0.002","90","","8337.2","1.6","298","2","298.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C70 H48 N8 O12 Zn3 -","- C70 H48 N8 O12 Zn3 -","- C280 H192 N32 O48 Zn12 -","4","1","","Zhang, Jie; Li, Zijian; Gong, Wei; Han, Xing; Liu, Yan; Cui, Yong","Chiral DHIP-Based Metal-Organic Frameworks for Enantioselective Recognition and Separation.","Inorganic chemistry","2016","55","15","7229","7232","10.1021/acs.inorgchem.6b00894","","","0.71073","MoKα","","0.1076","0.0524","","","0.1264","0.1512","","","","","","0.953","","","","has coordinates","232659","2020-10-21","18:00:00",""
"4348047","19.6279","0.0013","6.5495","0.0004","12.9494","0.0009","90","","111.225","0.005","90","","1551.76","0.18","90","2","90","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0449","0.0396","","","0.0999","0.1035","","","","","","1.047","","","","has coordinates","232698","2020-10-21","18:00:00",""
"4348359","30.353","0.009","4.8595","0.0013","18.323","0.005","90","","118.123","0.004","90","","2383.6","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H33 Cd N6 O8 -","- C21 H28 Cd N6 O8 -","- C84 H112 Cd4 N24 O32 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Lin, Jia; Wei, Lei-Ming; Hu, Lei; Zhang, Gang; Cai, Yue-Peng","Lithium-Ion-Battery Anode Materials with Improved Capacity from a Metal-Organic Framework.","Inorganic chemistry","2016","55","17","8244","8247","10.1021/acs.inorgchem.6b01123","","","0.71073","MoKα","","0.0784","0.0684","","","0.1788","0.193","","","","","","1.027","","","","has coordinates","232885","2020-10-21","18:00:00",""
"4348541","23.8574","0.0006","15.1992","0.0003","11.4192","0.0002","90","","103.804","0.002","90","","4021.16","0.15","123","2","123","2","","","","","","","synthesis","8","C 1 2 1","C 2y","5","","","","- C34.5 H47 Ag Cl F6 N6 O4 Sb -","- C34.5 H47 Ag Cl F6 N6 O4 Sb -","- C138 H188 Ag4 Cl4 F24 N24 O16 Sb4 -","4","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0428","0.0386","","","0.1042","0.1087","","","","","","1.085","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348976","24.851","0.016","7.517","0.005","16.975","0.011","90","","130.638","0.006","90","","2406","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cl Cu N6 O4 -","- C16 H14 Cl Cu N6 O4 -","- C64 H56 Cl4 Cu4 N24 O16 -","4","1","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.1335","0.1092","","","0.2995","0.3255","","","","","","1.225","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4349121","11.9438","0.0005","7.9537","0.0004","14.4822","0.0006","90","","114.148","0.001","90","","1255.38","0.1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H20 Cl Cr N O3 -","- C8 H20 Cl Cr N O3 -","- C32 H80 Cl4 Cr4 N4 O12 -","4","1","","Sun, Yu-Zhi; Huang, Bo; Xu, Wei-Jian; Zhou, Dong-Dong; Chen, Shao-Li; Zhang, Shi-Yong; Du, Zi-Yi; Xie, Yong-Rong; He, Chun-Ting; Zhang, Wei-Xiong; Chen, Xiao-Ming","Plastic Crystals with Polar Halochromate Anion: Thermosensitive Dielectrics Based upon Plastic Transition and Dipole Rotation.","Inorganic chemistry","2016","55","21","11418","11425","10.1021/acs.inorgchem.6b01911","","","0.71073","MoKα","","0.0337","0.0322","","","0.0928","0.0949","","","","","","1.003","","","","has coordinates","233601","2020-10-21","18:00:00",""
"4349239","14.525","0.007","40.69","0.02","30.898","0.015","90","","101.498","0.008","90","","17895","15","273","2","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132 H164 Cd4 Cu4 N12 O28 -","- C132 H164 Cd4 Cu4 N12 O28 -","- C528 H656 Cd16 Cu16 N48 O112 -","4","1","","Liu, Yan; Li, Zijian; Yuan, Guozan; Xia, Qingchun; Yuan, Chen; Cui, Yong","Chiral Cu(salen)-Based Metal-Organic Framework for Heterogeneously Catalyzed Aziridination and Amination of Olefins.","Inorganic chemistry","2016","55","24","12500","12503","10.1021/acs.inorgchem.6b02151","","","0.71073","MoKα","","0.2018","0.0794","","","0.1636","0.2236","","","","","","0.897","","","","has coordinates","233754","2020-10-21","18:00:00",""
"4349802","17.3215","0.001","10.3684","0.0006","14.0444","0.0008","90","","124.831","0.001","90","","2070.4","0.2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H17 Cl2 N3 O4 S Zn -","- C20 H17 Cl2 N3 O4 S Zn -","- C80 H68 Cl8 N12 O16 S4 Zn4 -","4","1","","Lin, Xiaoling; Liu, Beibei; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","One-step synthesis of ZnS-N/C nanocomposites derived from Zn-based chiral metal‒organic frameworks with highly efficient photocatalytic activity for the selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","3","723","","10.1039/C7QI00693D","","","0.71073","MoKα","","0.0267","0.0238","","","0.0478","0.0489","","","","","","0.884","","","","has coordinates","235846","2020-10-21","18:00:00",""
"4349803","17.3808","0.001","10.3874","0.0006","14.2015","0.0013","90","","125.004","0.001","90","","2100.2","0.3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H17 Cl2 N3 O4 S Zn -","- C20 H17 Cl2 N3 O4 S Zn -","- C80 H68 Cl8 N12 O16 S4 Zn4 -","4","1","","Lin, Xiaoling; Liu, Beibei; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","One-step synthesis of ZnS-N/C nanocomposites derived from Zn-based chiral metal‒organic frameworks with highly efficient photocatalytic activity for the selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","3","723","","10.1039/C7QI00693D","","","0.71073","MoKα","","0.0199","0.0189","","","0.0457","0.0461","","","","","","0.989","","","","has coordinates","235846","2020-10-21","18:00:00",""
"4350436","27.796","0.008","31.895","0.011","10.176","0.003","90","","103.4","0.03","90","","8776","5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C83 H84 Cd Cl4 N7 O15.5 -","- C83 H75.5 Cd Cl4 N7 O15.5 -","- C332 H302 Cd4 Cl16 N28 O62 -","4","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.094","","","0.2398","0.2597","","","","","","1.05","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350437","27.1399","0.0009","31.3132","0.0008","10.8308","0.0008","90","","99.655","0.004","90","","9074","0.8","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C87 H93 Cl6 N5 Ni O10 -","- C89 H60 Cl6 N5 Ni O11 -","- C356 H240 Cl24 N20 Ni4 O44 -","4","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.0953","","","0.2439","0.3025","","","","","","1.033","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350546","10.2998","0.0006","10.5426","0.0006","12.0585","0.0007","90","","109.832","0.002","90","","1231.73","0.12","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","[GdMoO4]2[Mo2O4EDTA]","","","- C10 H16 Gd2 Mo4 N2 O22 -","- C10 H12 Gd2 Mo4 N2 O22 -","- C20 H24 Gd4 Mo8 N4 O44 -","2","0.5","","Luo, Junjian; Xu, Li","Layered lanthanide molybdate pillared by chiral [lambda-Mo2O4EDTA]2-.","Inorganic chemistry","2006","45","26","11030","11034","10.1021/ic0611793","","","0.71073","MoKα","","0.0362","0.0346","","","0.0906","0.0917","","","","","","1.554","","","","has coordinates","239937","2020-10-21","18:00:00",""
"4350547","10.3383","0.0018","10.5558","0.0012","12.0715","0.0018","90","","109.823","0.005","90","","1239.3","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","[(H2O)EuMoO4][Mo2O4EDTA]","","","- C10 H16 Eu2 Mo4 N2 O22 -","- C10 H16 Eu2 Mo4 N2 O22 -","- C20 H32 Eu4 Mo8 N4 O44 -","2","0.5","","Luo, Junjian; Xu, Li","Layered lanthanide molybdate pillared by chiral [lambda-Mo2O4EDTA]2-.","Inorganic chemistry","2006","45","26","11030","11034","10.1021/ic0611793","","","0.71073","MoKα","","0.0215","0.0208","","","0.0394","0.0396","","","","","","0.914","","","","has coordinates","239937","2020-10-21","18:00:00",""
"4350627","13.9701","0.0004","5.9781","0.0002","20.6898","0.0006","90","","99.708","0.002","90","","1703.16","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 N O0.5 S4 -","- C16 H15 N O0.5 S4 -","- C64 H60 N4 O2 S16 -","4","1","","Benbellat, Noura; Gavrilenko, Konstantin S.; Le Gal, Yann; Cador, Olivier; Golhen, Stéphane; Gouasmia, Abdelkrim; Fabre, Jean-Marc; Ouahab, Lahcène","Co(II)-Co(II) paddlewheel complex with a redox-active ligand derived from TTF.","Inorganic chemistry","2006","45","26","10440","10442","10.1021/ic061680v","","","0.71073","MoKα","","0.0504","0.0374","","","0.1122","0.1284","","","","","","1.045","","","","has coordinates","239970","2020-10-21","18:00:00",""
"4350766","44.5471","0.0008","22.4094","0.0005","22.6423","0.0004","90","","94.056","0.002","90","","22546.6","0.8","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C222 H132 Cl8 N16 O9 Y2 -","- C222 H132 Cl8 N16 O9 Y2 -","- C888 H528 Cl32 N64 O36 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1337","0.1255","","","0.3459","0.3718","","","","","","1.156","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350767","44.5558","0.0012","22.3269","0.0015","22.6969","0.0006","90","","94.091","0.002","90","","22521.2","1.7","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C200 H104 Cl8 Dy2 N16 O8 -","- C200 H104 Cl8 Dy2 N16 O8 -","- C800 H416 Cl32 Dy8 N64 O32 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.2652","0.1572","","","0.3444","0.4655","","","","","","1.451","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350768","44.5179","0.0006","22.3153","0.0003","22.6523","0.0002","90","","94.209","0.001","90","","22442.8","0.5","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C242 H151 Cl8 N16 O8 Y2 -","- C242 H151 Cl8 N16 O8 Y2 -","- C968 H604 Cl32 N64 O32 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54178","CuKα","","0.109","0.1046","","","0.3018","0.316","","","","","","1.211","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350769","44.4004","0.001","22.26","0.0006","22.6346","0.0004","90","","94.147","0.002","90","","22312.4","0.9","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C201 H108 Cl8 Dy2 N16 O9 -","- C201 H106 Cl9 Dy2 N16 O9 -","- C804 H424 Cl36 Dy8 N64 O36 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1388","0.1141","","","0.3094","0.3329","","","","","","1.064","","","","has coordinates,has disorder","244428","2020-10-21","18:00:00",""
"4500148","16.614","0.002","13.1785","0.0017","15.63","0.002","90","","91.528","0.003","90","","3420.9","0.7","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H30 Ca3 N2 O19 -","- C24 H30 Ca3 N2 O19 -","- C96 H120 Ca12 N8 O76 -","4","1","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0666","0.0635","","","0.1707","0.1725","","","","","","1.194","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500167","27.042","0.004","15.42","0.003","8.98","0.0015","90","","104.943","0.003","90","","3617.9","1.1","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H31 Cd N9 O11 -","- C27 H31 Cd N9 O11 -","- C108 H124 Cd4 N36 O44 -","4","1","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0718","0.0571","","","0.1154","0.1178","","","","","","1.068","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500895","20.971","0.0011","9.2303","0.0005","11.4429","0.0008","90","","110.431","0.007","90","","2075.6","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate","catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate","","- C35 H45 N9 O14 S2 Zn2 -","- C35 H38 N9 O14 S2 Zn2 -","- C70 H76 N18 O28 S4 Zn4 -","2","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0486","0.04","","","0.0693","0.0748","","","","","","1.026","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500907","11.6252","0.0005","7.101","0.0003","13.7442","0.0005","90","","106.871","0.003","90","","1085.76","0.08","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B11 Li6 O22 Rb5 -","- B11 Li6 O22 Rb5 -","- B22 Li12 O44 Rb10 -","2","0.5","","Yang, Yun; Pan, Shilie; Han, Jian; Hou, Xueling; Zhou, Zhongxiang; Zhao, Wenwu; Chen, Zhaohui; Zhang, Min","A New Lithium Rubidium Borate Li6Rb5B11O22with Isolated B11O22Building Blocks","Crystal Growth & Design","2011","11","9","3912","","10.1021/cg200471b","","","0.71073","MoKα","","0.0371","0.0326","","","0.0624","0.0642","","","","","","0.951","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501214","16.8704","0.0007","21.2935","0.0009","9.5632","0.0004","90","","120.011","0.001","90","","2974.8","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H53 Fe4 Na7 O58 Sb6 -","- C24 H12 Fe4 Na7 O58 Sb6 -","- C48 H24 Fe8 Na14 O116 Sb12 -","2","0.5","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.0303","0.0301","","","0.0836","0.0838","","","","","","1.02","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501242","21.421","0.004","11.107","0.002","15.888","0.003","90","","126.51","0.03","90","","3038.3","1.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H30 Cd N4 O5 -","- C34 H30 Cd N4 O5 -","- C136 H120 Cd4 N16 O20 -","4","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0705","0.0648","","","0.162","0.1688","","","","","","1.062","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501379","20.589","0.0015","20.5391","0.0015","10.4699","0.0008","90","","118.478","0.001","90","","3891.8","0.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H46 N2 O13 U2 -","- C32 H46 N2 O13 U2 -","- C128 H184 N8 O52 U8 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.045","0.0361","","","0.0826","0.0871","","","","","","1.03","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501668","26.7679","0.0006","12.2428","0.0003","16.2786","0.0004","90","","108.149","0.0012","90","","5069.3","0.2","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","","(2R)-1-(9H-Carbazol-4-yloxy)-3-[(2-{[2-(methyloxy)phenyl]oxy}ethyl)amino]- 2-propanol, phosphoric acid salt, hemihydrate [ratio 1:1:0.5(H2O)]","","- C24 H30 N2 O8.5 P -","- C24 H30 N2 O8.5 P -","- C192 H240 N16 O68 P8 -","8","2","","Vogt, Frederick G.; Copley, Royston C. B.; Mueller, Ronald L.; Spoors, Grant P.; Cacchio, Thomas N.; Carlton, Robert A.; Katrincic, Lee M.; Kennady, James M.; Parsons, Simon; Chetina, Olga V.","Isomorphism, Disorder, and Hydration in the Crystal Structures of Racemic and Single-Enantiomer Carvedilol Phosphate","Crystal Growth & Design","2010","10","6","2713","","10.1021/cg100209v","","","1.54178","CuKα","","0.0357","0.0353","","","0.096","0.0964","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501864","14.21","0.0019","4.8511","0.0006","12.931","0.0013","90","","117.854","0.005","90","","788.11","0.17","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C8 H4 O4 Sn -","- C8 H4 O4 Sn -","- C32 H16 O16 Sn4 -","4","1","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Influence of Ligand Geometry on the Dimensionality of Sn(II) Benzenedicarboxylate Crystal Structures","Crystal Growth & Design","2010","10","8","3752","","10.1021/cg1005874","","","0.71073","MoKα","","0.027","0.0243","","","0.054","0.0551","","","","","","0.978","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4502118","10.614","0.016","7.75","0.011","14.29","0.02","90","","96.82","0.02","90","","1167","3","296","2","173","2","","","101.3","","","","","5","C 1 2 1","C 2y","5","3-benzoylbenzo-2,1,3-telluradiazole","3-benzoylbenzo-2,1,3-telluradiazole","","- C13 H8 N2 O Te -","- C13 H8 N2 O Te -","- C52 H32 N8 O4 Te4 -","4","1","","Cozzolino, Anthony F.; Yang, Qin; Vargas-Baca, Ignacio","Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon","Crystal Growth & Design","2010","10","11","4959","","10.1021/cg101060s","","x-ray","0.71073","MoKα","","0.1004","0.069","","","0.1344","0.1452","","","","","","1.133","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502146","19.3447","0.0009","8.9864","0.0005","9.2291","0.0005","90","","95.75","0.005","90","","1596.31","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H42 N4 O8 Zn -","- C30 H42 N4 O8 Zn -","- C60 H84 N8 O16 Zn2 -","2","0.5","","Huang, Qian; Yu, Jiancan; Gao, Junkuo; Rao, Xingtang; Yang, Xiuli; Cui, Yuanjing; Wu, Chuande; Zhang, Zhangjing; Xiang, Shengchang; Chen, Banglin; Qian, Guodong","Two Chiral Nonlinear Optical Coordination Networks Based on Interwoven Two-Dimensional Square Grids of Double Helices","Crystal Growth & Design","2010","10","12","5291","","10.1021/cg101135r","","","0.71073","MoKα","","0.0401","0.034","","","0.0447","0.0455","","","","","","1.036","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4502147","19.893","0.0007","9.0654","0.0003","9.4049","0.0003","90","","99.598","0.003","90","","1672.32","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H42 Cd N4 O8 -","- C30 H42 Cd N4 O8 -","- C60 H84 Cd2 N8 O16 -","2","0.5","","Huang, Qian; Yu, Jiancan; Gao, Junkuo; Rao, Xingtang; Yang, Xiuli; Cui, Yuanjing; Wu, Chuande; Zhang, Zhangjing; Xiang, Shengchang; Chen, Banglin; Qian, Guodong","Two Chiral Nonlinear Optical Coordination Networks Based on Interwoven Two-Dimensional Square Grids of Double Helices","Crystal Growth & Design","2010","10","12","5291","","10.1021/cg101135r","","","0.71073","MoKα","","0.0204","0.0203","","","0.041","0.041","","","","","","1.014","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4502292","23.7837","0.0011","12.7985","0.0005","3.8331","0.0002","90","","98.111","0.004","90","","1155.11","0.09","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H19 N3 O6 -","- C26 H19 N3 O6 -","- C52 H38 N6 O12 -","2","0.5","","Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.","Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline","Crystal Growth & Design","2010","10","1","348","","10.1021/cg900938x","","","0.71073","MoKα","","0.0338","0.031","","","0.0798","0.0824","","","","","","1.05","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502364","11.218","0.002","15.927","0.003","12.965","0.003","90","","111.176","0.003","90","","2160","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47 H40 N6 O12 Zn2 -","- C47 H40 N6 O12 Zn2 -","- C94 H80 N12 O24 Zn4 -","2","0.5","","Li, Shun-Li; Lan, Ya-Qian; Ma, Ji-Cheng; Ma, Jian-Fang; Su, Zhong-Min","Metal−Organic Frameworks Based on Different Benzimidazole Derivatives: Effect of Length and Substituent Groups of the Ligands on the Structures","Crystal Growth & Design","2010","10","3","1161","","10.1021/cg9010482","","","0.71069","MoKα","","0.0748","0.0627","","","0.1591","0.1688","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502386","22.3","0.03","7.399","0.01","11.91","0.02","90","","108.738","0.006","90","","1861","5","103.1","","","","","","","","","","","8","C 1 2 1","C 2y","5","(R)-1-(p-fluorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl F N O2 P S -","- C16 H20 Cl F N O2 P S -","- C64 H80 Cl4 F4 N4 O8 P4 S4 -","4","1","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.065","","","","0.08","","","","","","1.309","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502387","22.328","0.002","7.435","0.0005","13.167","0.002","90","","112.634","0.003","90","","2017.5","0.4","296.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","(R)-1-(p-chlorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlrophenyl)phosphonothioate","","","- C16 H20 Cl2 N O2 P S -","- C16 H20 Cl2 N O2 P S -","- C64 H80 Cl8 N4 O8 P4 S4 -","4","1","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.05","","","","0.057","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502388","26.89","0.02","7.463","0.004","21.551","0.012","90","","115.103","0.002","90","","3916","4","103.1","","","","","","","","","","","8","C 1 2 1","C 2y","5","(R)-1-(p-bromophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Br Cl N O2 P S -","- C16 H20 Br Cl N O2 P S -","- C128 H160 Br8 Cl8 N8 O16 P8 S8 -","8","2","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","","0.038","","","","0.052","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502416","9.1093","0.0003","11.1484","0.0003","7.9463","0.0003","90","","117.733","0.002","90","","714.28","0.04","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","‘Aluminium-Borate’","","","- C5 H16 Al B5 N2 O10 -","- C5 H16 Al B5 N2 O10 -","- C10 H32 Al2 B10 N4 O20 -","2","0.5","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.0408","0.0394","","","0.1106","0.1115","","","","","","1.062","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502455","25.2695","0.0005","6.40931","0.00012","22.1631","0.0004","90","","120.868","0.0008","90","","3081.08","0.1","298.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","spironolactone saccharin 1:1 cocrystal hemihydrate","7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17- carbolactone 1,1-Dioxo-1,2-benzothiazol-3-one hemihydrate","","- C31 H38 N O7.5 S2 -","- C31 H37 N O7.5 S2 -","- C124 H148 N4 O30 S8 -","4","1","","Takata, Noriyuki; Takano, Ryusuke; Uekusa, Hidehiro; Hayashi, Yoshiki; Terada, Katsuhide","A Spironolactone−Saccharin 1:1 Cocrystal Hemihydrate","Crystal Growth & Design","2010","10","5","2116","","10.1021/cg901242q","","","1.54187","CuKα","","","0.0862","","","","0.2252","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502456","25.3887","0.0006","6.42688","0.00013","22.1104","0.0005","90","","121.604","0.001","90","","3072.71","0.12","298.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","spironolactone saccharin 1:1 cocrystal","7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17- carbolactone 1,1-Dioxo-1,2-benzothiazol-3-one","","- C31 H37 N O7 S2 -","- C31 H37 N O7 S2 -","- C124 H148 N4 O28 S8 -","4","1","","Takata, Noriyuki; Takano, Ryusuke; Uekusa, Hidehiro; Hayashi, Yoshiki; Terada, Katsuhide","A Spironolactone−Saccharin 1:1 Cocrystal Hemihydrate","Crystal Growth & Design","2010","10","5","2116","","10.1021/cg901242q","","","1.54187","CuKα","","","0.0633","","","","0.1776","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502469","15.612","0.0004","6.022","0.0005","14.147","0.0009","90","","111.21","0.001","90","","1239.94","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 Cd N2 O7 -","- C26 H22 Cd N2 O7 -","- C52 H44 Cd2 N4 O14 -","2","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0185","0.0185","","","0.0453","0.0453","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502470","15.583","0.0007","6.018","0.0009","14.115","0.0015","90","","111.026","0.002","90","","1235.5","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 Cd N2 O7 -","- C26 H22 Cd N2 O7 -","- C52 H44 Cd2 N4 O14 -","2","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min","pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers","Crystal Growth & Design","2010","10","4","1699","","10.1021/cg9012763","","","0.71069","MoKα","","0.0235","0.0234","","","0.0604","0.0604","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502521","18.458","0.004","9.1264","0.0013","12.181","0.002","90","","108.88","0.02","90","","1941.6","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H27 Cd3 N8 O16.5 -","- C35 H26 Cd3 N8 O16.5 -","- C70 H52 Cd6 N16 O33 -","2","0.5","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0401","0.0317","","","0.0629","0.0653","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502849","42.9792","0.0015","10.3021","0.0004","6.2807","0.0002","90","","96.225","0.002","90","","2764.55","0.17","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","2:1 Cholesterol:pentanol","","","- C64 H104 O3 -","- C60.5 H92 O3 -","- C121 H184 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0798","0.0676","","","0.1959","0.2146","","","","","","1.061","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502850","42.982","0.002","10.3695","0.0007","6.2684","0.0004","90","","96.166","0.003","90","","2777.7","0.3","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","2:1 Cholesterol:hexanol solvate","","","- C60 H106 O3 -","- C60 H106 O3 -","- C120 H212 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0936","0.0774","","","0.2203","0.2357","","","","","","1.092","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502853","42.676","0.004","10.2044","0.0011","6.3396","0.0006","90","","97.501","0.006","90","","2737.2","0.5","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","1:1 Cholesterol:phenylethanol solvate","","","- C62 H102 O3 -","- C62 H102 O3 -","- C124 H204 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0549","0.0475","","","0.1239","0.1335","","","","","","1.045","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4503073","21.0163","0.0007","6.5877","0.0005","12.0946","0.0005","90","","91.099","0.003","90","","1674.18","0.16","208","2","208","2","","","","","","","","3","C 1 2 1","C 2y","5","ethinyl estradiol hemi-hydrate","","","- C20 H25 O2.5 -","- C20 H25 O2.5 -","- C80 H100 O10 -","4","1","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0751","0.0509","","0.0954","0.0881","0.0954","","","1.06","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503171","26.188","0.003","5.4915","0.0006","9.0351","0.001","90","","107.324","0.001","90","","1240.4","0.2","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","Cd(Ala3)2","","","- C18 H32 Cd N6 O8 -","- C18 H32 Cd N6 O8 -","- C36 H64 Cd2 N12 O16 -","2","0.5","","Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.","Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions","Crystal Growth & Design","2008","8","1","296","","10.1021/cg700724h","","","0.71073","MoKα","","0.0356","0.0319","","","0.0678","0.0697","","","","","","1.059","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503173","15.257","0.004","10.489","0.003","8.092","0.002","90","","96.809","0.004","90","","1285.8","0.6","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","Cd(AlaThr)2.(H2O)4","","","- C14 H42 Cd N4 O16 -","- C14 H42 Cd N4 O16 -","- C28 H84 Cd2 N8 O32 -","2","0.5","","Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.","Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions","Crystal Growth & Design","2008","8","1","296","","10.1021/cg700724h","","","0.71073","MoKα","","0.0118","0.0118","","","0.031","0.031","","","","","","1.073","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503490","32.685","0.003","10.1589","0.0011","13.718","0.0014","90","","103.483","0.001","90","","4429.4","0.8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H42 Fe2 N4 O7 Zn -","- C52 H42 Fe2 N4 O7 Zn -","- C208 H168 Fe8 N16 O28 Zn4 -","4","1","","Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting","From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes","Crystal Growth & Design","2008","8","4","1435","","10.1021/cg701221f","","","0.71073","MoKα","","0.0594","0.0433","","","0.088","0.0975","","","","","","1.042","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503778","33.191","0.003","5.085","0.0005","11.303","0.001","90","","90.605","0.007","90","","1907.6","0.3","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-2-(3-methoxyphenoxy)propanoic acid/ (S)-2-(3-bromophenoxy)propanoic acid","","- C19 H21 Br O7 -","- C19 H21 Br O7 -","- C76 H84 Br4 O28 -","4","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.0476","0.0365","","","0.0842","0.0889","","","","","","1.082","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503896","54.43","0.03","5.712","0.003","9.676","0.002","90","","99.51","0.006","90","","2967","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","S-atenolol","","- C28 H44 N4 O6 -","- C28 H38 N4 O6 -","- C112 H152 N16 O24 -","4","1","","Esteves de Castro, R. A.; Canotilho, João; Barbosa, Rui M.; Silva, M. Ramos; Beja, A. Matos; Paixão, J. A.; Redinha, J. Simões","Conformational Isomorphism of Organic Crystals: Racemic and Homochiral Atenolol","Crystal Growth & Design","2007","7","3","496","","10.1021/cg0601857","","","1.5418","CuKα","","0.099","0.0746","","","0.1891","0.2097","","","","","","1.055","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4504045","11.101","0.002","7.2843","0.0015","7.5086","0.0015","90","","94.49","0.03","90","","605.3","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H8 N2 O3 W -","- C2 H8 N2 O3 W -","- C8 H32 N8 O12 W4 -","4","1","","Yang, Sihai; Li, Guobao; Tian, Shujian; Liao, Fuhui; Lin, Jianhua","Synthesis and Structure of [C2H10N2][B5O8(OH)]: A Nonmetal Pentaborate with Nonlinear Optical Properties","Crystal Growth & Design","2007","7","7","1246","1250","10.1021/cg0606794","","","0.71073","MoKα","","0.0788","0.0785","","","0.1935","0.1949","","","","","","1","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504143","38.87","0.006","5.989","0.0007","13.752","0.003","90","","109.505","0.006","90","","3017.6","0.9","296.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H41 N O4 -","- C34 H39 N O4 -","- C136 H156 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.059","","","","0.065","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504410","16.221","0.002","19.434","0.003","14.943","0.002","90","","114.198","0.002","90","","4296.7","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H72 Cd3 N18 O4 S2 -","- C90 H70 Cd3 N18 O4 S2 -","- C180 H140 Cd6 N36 O8 S4 -","2","0.5","","Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets","Crystal Growth & Design","2007","7","12","2576","","10.1021/cg0705456","","","0.71073","MoKα","","","0.0424","","","0.1147","0.1292","","","","","","1.063","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504431","34.524","0.005","16.597","0.002","13.7907","0.0018","90","","99.763","0.002","90","","7787.6","1.8","187","2","187","2","","","","","","","","7","C 1 2 1","C 2y","5","Cu3 [C12H8N2]3 [C28H19S4O16] Cl[H2O]17.63","","","- C64 H78.25 Cl Cu3 N6 O33.63 S4 -","- C64 H43 Cl Cu3 N6 O33.668 S4 -","- C256 H172 Cl4 Cu12 N24 O134.672 S16 -","4","1","","Liu, Ce; Luo, Fang; Liao, Wuping; Li, Deqian; Wang, Xiaofei; Dronskowski, Richard","pH-Dependent Syntheses and Structures of Two Copper(II)/Phenanthroline/p-Sulfonatocalix[4]arene Supramolecular Compounds with 1D Water-Filled Channels","Crystal Growth & Design","2007","7","11","2282","","10.1021/cg070579d","","","0.71073","MoKα","","0.0859","0.0648","","","0.1627","0.1793","","","","","","1.032","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504626","12.236","0.008","6.2011","0.0018","14.155","0.005","90","","111.19","0.04","90","","1001.4","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 N4 O12 Zn -","- C15 H14 N4 O12 Zn -","- C30 H28 N8 O24 Zn2 -","2","0.5","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0453","0.0413","","","0.1124","0.1281","","","","","","1.038","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504902","31.182","0.004","11.2219","0.0013","22.715","0.003","90","","109.948","0.002","90","","7471.6","1.6","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H35 O11 S -","- C35.5 H35 O11 S -","- C284 H280 O88 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0908","0.067","","","0.1727","0.1853","","","","","","0.944","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504903","30.561","0.017","10.925","0.006","22.255","0.012","90","","114.922","0.01","90","","6739","6","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C32.38 H34.75 Cl2.75 O11 S -","- C32.375 H34.75 Cl2.75 O11 S -","- C259 H278 Cl22 O88 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.1248","0.0905","","","0.199","0.2186","","","","","","1.072","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504904","31.047","0.006","11.2665","0.0018","22.631","0.004","90","","109.88","0.004","90","","7444","2","133","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H40 O11.25 S -","- C35.5 H40 O11.25 S -","- C284 H320 O90 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0818","0.071","","","0.1969","0.2095","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504905","30.623","0.009","11.129","0.004","22.529","0.007","90","","111.05","0.005","90","","7166","4","133","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C37.75 H39.25 N1.5 O11.38 S -","- C37.75 H39.25 N1.5 O11.375 S -","- C302 H314 N12 O91 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0532","0.05","","","0.1452","0.1489","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505147","46.067","0.008","7.01","0.001","14.141","0.002","90","","107.076","0.003","90","","4365.2","1.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-N-(1-hydroxymethyl-2-phenylethyl)-4-(1,2,3,4-tetra hydro-1,4-methanonaphthalene-9-carbonyl)benzamide","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C224 H216 N8 O24 -","8","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.154","0.0597","","","0.0922","0.1185","","","","","","0.958","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505152","33.5","0.004","6.2922","0.0008","11.84","0.01","90","","110.464","0.002","90","","2338","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-(2-adamantan-1-ylacetyl)benzoic acid 2,6,6- trimethylbicyclo[3.1.1]hept-3-yl ester","","- C29 H38 O3 -","- C29 H38 O3 -","- C116 H152 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0908","0.0554","","","0.1118","0.1231","","","","","","1.059","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505153","11.007","0.003","6.528","0.002","27.722","0.007","90","","90.435","0.004","90","","1991.9","1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-(2-adamantan-1-ylacetyl)benzoic acid 2-bromo-1-methylethyl ester","","- C23 H29 Br O3 -","- C23 H27 Br0.99 O3 -","- C92 H108 Br3.96 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1775","0.1383","","","0.2894","0.3081","","","","","","1.079","","","","has coordinates,has disorder","179586","2020-10-21","18:00:00",""
"4505174","24.744","0.005","7.3803","0.0015","3.736","0.0007","90","","96.39","0.004","90","","678","0.2","373","2","373","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Rafilovich, Michal; Bernstein, Joel; Harris, Robin K.; Apperley, David C.; Karamertzanis, Panagiotis G.; Price, Sarah L.","Groth's Original Concomitant Polymorphs Revisited","Crystal Growth & Design","2005","5","6","2197","","10.1021/cg050151j","","","0.71073","MoKα","","0.0484","0.0473","","","0.1199","0.1207","","","","","","1.131","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505330","21.675","0.001","5.897","0.001","16.129","0.001","90","0.01","115.1","0.01","90","0.01","1866.9","0.4","200","","","","","","","","","","","6","C 1 2 1","C 2y","5","Piperidine Hydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride monohydrate","","- C18 H21 Cl F2 N3 O5 -","- C18 H21 Cl F2 N3 O5 -","- C72 H84 Cl4 F8 N12 O20 -","4","1","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.061","0.041","","0.069","0.059","","","","1.714","1.435","1.435","1.435","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505497","24.001","0.0012","17.455","0.0018","11.676","0.003","90","0.0013","105.096","0.0014","90","0.0013","4722.7","1.3","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C48 H32 Cl3 Cu12 N40 O40 P W12 -","- C48 H32 Cl3 Cu12 N40 O40 P W12 -","- C96 H64 Cl6 Cu24 N80 O80 P2 W24 -","2","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.0578","0.0453","","","0.1336","0.1463","","","","","","0.992","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505647","21.3075","0.0009","5.7687","0.0008","10.172","0.0008","90","","111.954","0.004","90","","1159.64","0.19","296.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.03","","","","","","3.39","","","","has coordinates","193991","2020-10-21","18:00:00",""
"4505651","20.817","0.003","5.835","0.003","11.104","0.002","90","","113.83","0.01","90","","1233.8","0.7","296.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.031","","","","","","2.01","","","","has coordinates","193991","2020-10-21","18:00:00",""
"4505738","16.526","0.002","10.3837","0.0014","12.3259","0.0017","90","","130.402","0.002","90","","1610.7","0.4","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","cyclo-bis(4-cyano-7-methoxy-2-aminoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C60 H76 N8 O14 S6 -","2","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0415","0.036","","","0.0963","0.0996","","","","","","0.989","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505741","16.4321","0.0011","10.3701","0.0007","12.2684","0.0008","90","","130.242","0.001","90","","1595.78","0.19","170","2","170","2","","","","","","","","5","C 1 2 1","C 2y","5","","(S,S)-Cyclo-bis(2-amino-4-methoxy-7-cyanoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C60 H76 N8 O14 S6 -","2","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0406","0.0339","","","0.0805","0.0836","","","","","","0.965","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4506012","16.1944","0.0012","13.3483","0.0006","10.8362","0.0007","90","","110.588","0.005","90","","2192.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H19 Co N4 O5.5 -","- C24 H18 Co N4 O5.5 -","- C96 H72 Co4 N16 O22 -","4","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0283","0.0263","","","0.0664","0.0676","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506015","16.185","0.007","13.588","0.005","11.01","0.004","90","","110.91","0.006","90","","2261.9","1.5","113","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H19 Mn N4 O5.5 -","- C24 H16 Mn N4 O5.5 -","- C96 H64 Mn4 N16 O22 -","4","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0557","0.042","","","0.0886","0.0953","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506168","11.6774","0.0006","13.3074","0.0006","23.8176","0.0012","90","","98.373","0.003","90","","3661.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C152 H216 Cu4 N16 O24 -","4","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.0695","0.0475","","","0.1075","0.1174","","","","","","0.987","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506169","30.212","0.008","14.544","0.003","19.125","0.004","90","","117.215","0.008","90","","7473","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H64 Cu2 N4 O8 -","- C60 H64 Cu2 N4 O8 -","- C240 H256 Cu8 N16 O32 -","4","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.1215","0.0809","","","0.2005","0.2231","","","","","","0.937","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506411","24.656","0.006","7.0007","0.0016","12.561","0.003","90","","101.288","0.006","90","","2126.2","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 N2 O6.5 -","- C20 H26 N2 O6.5 -","- C80 H104 N8 O26 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0927","0.0563","","","0.1209","0.1378","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506414","25.003","0.002","6.839","0.0006","12.071","0.0012","90","","94.207","0.003","90","","2058.5","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 N2 O6.5 -","- C20 H27 N2 O6.5 -","- C80 H108 N8 O26 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.062","0.0421","","","0.0907","0.0996","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506516","23.2551","0.0014","9.4928","0.0004","7.5418","0.0004","90","","107.56","0.006","90","","1587.32","0.15","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C11.995 H25.988 Cu N2 O5 -","- C47.98 H103.952 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.0347","0.0308","","","0.0785","0.0812","","","","","","1.034","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506517","22.5755","0.0005","9.44266","0.00017","7.46733","0.00015","90","","106.25","0.002","90","","1528.24","0.06","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C12 H26 Cu N2 O5 -","- C48 H104 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.033","0.0303","","","0.0717","0.0738","","","","","","1.023","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506646","8.587","0.0007","7.1141","0.0006","14.7861","0.0012","90","","99.209","0.001","90","","891.62","0.13","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H10 F4 I2 -","- C19 H10 F4 I2 -","- C38 H20 F8 I4 -","2","0.5","","Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun","Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding","Crystal Growth & Design","2012","12","9","4377","","10.1021/cg300515a","","","0.71073","MoKα","","0.0227","0.0208","","","0.0488","0.051","","","","","","1.111","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506724","22.2113","0.0006","6.0673","0.0002","11.2292","0.0003","90","","112.595","0.003","90","","1397.12","0.08","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Oxi34dhBA","","- C13 H16 N2 O7 -","- C13 H16 N2 O7 -","- C52 H64 N8 O28 -","4","1","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.5418","CuKα","","0.0516","0.0472","","","0.1214","0.1258","","","","","","1.05","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506864","18.043","0.0011","11.734","0.0007","10.01","0.0007","90","","120.189","0.003","90","","1831.8","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","delta- (Co(en)3)EDC(NO3) x 2 H2O","delta-tris-1,2-(ethylenediamino)cobalt(III)-fumerate-nitrate-dihydrate","","- C10 H30 Co N7 O9 -","- C10 H30 Co N7 O9 -","- C40 H120 Co4 N28 O36 -","4","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0396","0.0345","","","0.0843","0.0868","","","","","","1.021","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506925","19.028","0.003","12.8531","0.0017","13.5044","0.0018","90","","105.871","0.002","90","","3176.9","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Co2 N3 O9 -","- C30 H39 Co2 N3 O9 -","- C120 H156 Co8 N12 O36 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0943","0.0679","","","0.1731","0.193","","","","","","1.041","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506926","18.868","0.006","12.86","0.004","13.36","0.004","90","","106.562","0.006","90","","3107.2","1.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Cu2 N3 O9 -","- C30 H39 Cu2 N3 O9 -","- C120 H156 Cu8 N12 O36 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.1194","0.0803","","","0.2245","0.2501","","","","","","1.068","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507160","32.703","0.011","14.7164","0.0012","13.4949","0.0013","90","","91.808","0.018","90","","6491","2","288","2","288","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C50 H82 N14 Ni2 O24 -","- C50 H82 N14 Ni2 O24 -","- C200 H328 N56 Ni8 O96 -","4","1","","Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei","Chiral Metallocycles Templated Novel Chiral Water Frameworks","Crystal Growth & Design","2013","13","2","518","","10.1021/cg300971r","","","0.71073","MoKα","","0.0694","0.0505","","","0.1291","0.1462","","","","","","1.057","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507185","30.397","0.004","14.143","0.003","8.675","0.002","90","","105.45","0.03","90","","3594.7","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate methanol 2.5-solvate","","- C35.5 H45 N5 O14.5 -","- C35.5 H45 N5 O14.5 -","- C142 H180 N20 O58 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0306","0.0289","","","0.076","0.0767","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507485","16.4467","0.0003","8.3661","0.0002","9.1549","0.0002","90","","107.642","0.001","90","","1200.42","0.05","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H34 Co N2 O9 -","- C24 H30 Co N2 O9 -","- C48 H60 Co2 N4 O18 -","2","0.5","","Ingram, Conrad W.; Liao, Liang; Bacsa, John; Harruna, Issifu; Sabo, Daniel; Zhang, Z. John","Novel Layered 2D and Triply Interpenetrating 3D Cobalt-Functionalized Diaza-12-crown Based Coordination Polymers: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2013","13","3","1131","","10.1021/cg301480s","","","0.71073","MoKα","","0.0346","0.0342","","","0.0857","0.086","","","","","","1.046","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507576","16.656","0.007","5.312","0.002","17.227","0.007","90","","113.59","0.03","90","","1396.8","1","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one","","- C14 H9 Cl F3 N O2 -","- C14 H9 Cl F3 N O2 -","- C56 H36 Cl4 F12 N4 O8 -","4","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0854","0.0418","","","0.087","0.106","","","","","","1.024","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507750","26.595","0.005","7.5583","0.0013","14.652","0.003","90","","117.28","0.003","90","","2617.7","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","Huperzine A","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C120 H144 N16 O8 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.0775","0.059","","","0.1544","0.1676","","","","","","1.056","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507761","24.905","0.003","9.213","0.001","16.7594","0.0018","90","","112.323","0.001","90","","3557.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H38 Cd2 N6 O16 -","- C30 H38 Cd2 N6 O16 -","- C120 H152 Cd8 N24 O64 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0235","0.0205","","","0.0511","0.0535","","","","","","1.032","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507922","27.153","0.002","15.103","0.002","9.0264","0.0014","90","","107.047","0.002","90","","3539","0.8","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 Co N8 O6 -","- C32 H31 Co N8 O6 -","- C128 H124 Co4 N32 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0773","0.062","","","0.1292","0.1333","","","","","","1.084","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507923","27.488","0.003","14.9399","0.0016","9.0717","0.001","90","","107.373","0.002","90","","3555.5","0.7","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 N8 Ni O6 -","- C32 H31 N8 Ni O6 -","- C128 H124 N32 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0689","0.0588","","","0.1225","0.1248","","","","","","1.093","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507942","38.5979","0.0004","4.97425","0.00005","23.1869","0.0003","90","","99.7718","0.0009","90","","4387.19","0.09","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","Ac-Phe-NH2","N-acetyl-L-phenylalanyl-NH2","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C176 H224 N32 O32 -","16","4","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","powder diffraction","x-ray","0.69968","synchrotron","","","","","","","","","","1.35","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508039","40.819","0.005","5.554","0.0005","7.0928","0.0007","90","","98.086","0.004","90","","1592","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","Sodium naproxen tetrahydrate","","","- C14 H21 Na O7 -","- C14 H13 Na O7 -","- C56 H52 Na4 O28 -","4","1","","Bond, Andrew D.; Cornett, Claus; Larsen, Flemming H.; Qu, Haiyan; Raijada, Dhara; Rantanen, Jukka","Interpreting the Disordered Crystal Structure of Sodium Naproxen Tetrahydrate","Crystal Growth & Design","2013","13","8","3665","","10.1021/cg400688c","","","0.71073","MoKα","","0.0856","0.052","","","0.1172","0.1354","","","","","","1.011","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508052","15.153","0.006","5.0136","0.0008","10.376","0.004","90","","131.89","0.06","90","","586.8","0.6","120","","120","","","","","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate","Dilithium L-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0225","0.0221","","","0.0578","0.0581","","","","","","1.046","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508103","17.2532","0.0005","12.9657","0.0004","6.6115","0.0002","90","","111.443","0.002","90","","1376.62","0.07","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H30 Mg3 O24 -","- C18 H30 Mg3 O24 -","- C36 H60 Mg6 O48 -","2","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.0465","0.0365","","","0.0841","0.0891","","","","","","1.055","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508605","22.6541","0.00016","8.25169","0.00006","17.39574","0.00012","90","","107.371","0.0003","90","","3103.55","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Goubert, Guillaume; Demers-Carpentier, Vincent; Loach, Richard P.; Lafleur-Lambert, Raphaél; Lemay, Jean-Christian; Boukouvalas, John; McBreen, Peter H.","Aminolactone Chiral Modifiers for Heterogeneous Asymmetric Hydrogenation: Corrected Structure of Pantoyl-Naphthylethylamine, In-Situ Hydrogenolysis, and Scanning Tunneling Microscopy Observation of Supramolecular Aminolactone/Substrate Assemblies on Pt(111)","ACS Catalysis","2013","3","12","2677","","10.1021/cs4007588","","","1.54178","CuKα","","0.0303","0.0301","","","0.085","0.0852","","","","","","1.046","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508660","24.139","0.002","9.1383","0.0008","8.2704","0.0008","90","","107.591","0.003","90","","1739.1","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H15 Cd N3 O8 -","- C15 H15 Cd N3 O8 -","- C60 H60 Cd4 N12 O32 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0522","0.0461","","","0.1237","0.1295","","","","","","1.096","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508723","31.182","0.004","11.2219","0.0013","22.715","0.003","90","","109.948","0.002","90","","7471.6","1.6","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H35 O11 S -","- C35.5 H35 O11 S -","- C284 H280 O88 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0908","0.067","","","0.1727","0.1853","","","","","","0.944","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508724","30.561","0.017","10.925","0.006","22.255","0.012","90","","114.922","0.01","90","","6739","6","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C32.38 H34.75 Cl2.75 O11 S -","- C32.375 H34.75 Cl2.75 O11 S -","- C259 H278 Cl22 O88 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.1248","0.0905","","","0.199","0.2186","","","","","","1.072","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508725","31.047","0.006","11.2665","0.0018","22.631","0.004","90","","109.88","0.004","90","","7444","2","133","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H40 O11.25 S -","- C35.5 H40 O11.25 S -","- C284 H320 O90 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0818","0.071","","","0.1969","0.2095","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508726","30.623","0.009","11.129","0.004","22.529","0.007","90","","111.05","0.005","90","","7166","4","133","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C37.75 H39.25 N1.5 O11.38 S -","- C37.75 H39.25 N1.5 O11.375 S -","- C302 H314 N12 O91 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0532","0.05","","","0.1452","0.1489","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508728","30.675","0.006","11.218","0.002","22.323","0.005","90","","113.729","0.006","90","","7032","2","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.25 H37.5 O12 S -","- C35.25 H37.5 O12.0625 S -","- C282 H300 O96.5 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0637","0.0606","","","0.169","0.1723","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508729","30.896","0.003","10.9667","0.0011","22.408","0.002","90","","111.469","0.002","90","","7065.6","1.2","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.75 H35.75 N0.88 O11.38 S -","- C35.8125 H35.75 N0.8125 O11.375 S -","- C286.5 H286 N6.5 O91 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.101","0.0783","","","0.2127","0.2344","","","","","","1.041","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508808","24.905","0.008","11.351","0.004","12.511","0.004","90","","90.066","0.012","90","","3537","2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C73 H88 N18 O7 -","- C73 H87 N18 O7 -","- C146 H174 N36 O14 -","2","0.5","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.0582","0.044","","","0.0923","0.0985","","","","","","1.055","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508810","25.306","0.003","11.1907","0.0011","12.347","0.0013","90","","90.41","0.002","90","","3496.5","0.7","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28.6 N6 O2.31 -","- C24 H28 N6 O2.30667 -","- C144 H168 N36 O13.84 -","6","1.5","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.0415","0.0337","","","0.0703","0.0732","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508847","25.122","0.007","8.253","0.002","11.259","0.003","90","","108.145","0.008","90","","2218.3","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 N8 Ni4 O30 S2 -","- C72 H72 N8 Ni4 O30 S2 -","- C72 H72 N8 Ni4 O30 S2 -","1","0.25","","Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2006","6","10","2369","","10.1021/cg060343u","","","0.71073","MoKα","","0.0689","0.0542","","","0.1163","0.1199","","","","","","1.027","","","","has coordinates","287938","2023-12-01","16:11:16",""
"4508899","17.2","0.003","5.9594","0.0012","13.889","0.003","90","","126.25","0.03","90","","1148.1","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C40 H44 F12 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1058","0.0445","","","0.0699","0.0806","","","","","","0.863","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508900","23.226","0.005","6.0154","0.0012","9.885","0.002","90","","114.92","0.03","90","","1252.5","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.069","0.0527","","","0.135","0.1461","","","","","","1.055","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508927","10.536","0.003","11.077","0.003","14.174","0.004","90","","105.124","0.006","90","","1596.9","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H13 Cu N3 O6 -","- C17 H13 Cu N3 O6 -","- C68 H52 Cu4 N12 O24 -","4","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0709","0.0599","","","0.1277","0.1304","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509302","18.9979","0.0011","17.8507","0.0011","15.5853","0.0008","90","","119.062","0.004","90","","4619.9","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H68 Cu2 N14 O6 Ru -","- C30 H56 Cu2 N14 O6 Ru -","- C120 H224 Cu8 N56 O24 Ru4 -","4","1","","Sereda, Olha; Stoeckli-Evans, Helen; Dolomanov, Oleg; Filinchuk, Yaroslav; Pattison, Phil","Transformation of a Chiral Nanoporous Bimetallic Cyano-Bridged Framework Triggered by Dehydration/Rehydration","Crystal Growth & Design","2009","9","7","3168","","10.1021/cg801193r","","","0.71073","MoKα","","0.0755","0.0707","","","0.2075","0.2153","","","","","","1.062","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509370","16.783","0.006","28.062","0.011","13.894","0.005","90","","96.42","0.007","90","","6503","4","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C89 H49 O24 Zn5 -","- C89 H49 O24 Zn5 -","- C178 H98 O48 Zn10 -","2","0.5","","Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming","Two Metal-Carboxylate Frameworks Featuring Uncommon 2D + 3D and 3-Fold-Interpenetration: (3,5)-Connected Isomeric hms and gra Nets","Crystal Growth & Design","2009","9","5","2415","","10.1021/cg801308u","","","0.71073","MoKα","","0.1116","0.0593","","","0.112","0.1262","","","","","","0.931","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509780","31.33","0.008","4.2108","0.0011","8.937","0.002","90","","98.556","0.009","90","","1165.9","0.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H18 Cu2 I2 N4 O3 -","- C24 H18 Cu2 I2 N4 O3 -","- C48 H36 Cu4 I4 N8 O6 -","2","0.5","","Tzeng, Biing-Chiau; Chang, Tsung-Yi","Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions","Crystal Growth & Design","2009","9","12","5343","","10.1021/cg900828v","","","0.71073","MoKα","","0.0562","0.0393","","","0.0827","0.1061","","","","","","1.074","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509939","40.334","0.005","7.7289","0.0009","15.6202","0.0018","90","","90.602","0.003","90","","4869.1","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H40 O5 -","- C24 O5 -","- C192 O40 -","8","2","","Wang, Xudong; Li, Chenxi; Duan, Yueqin; Lu, Yan","Hydrophobic Tetramer Structures of Cholic Acid","Crystal Growth & Design","2014","14","1","23","","10.1021/cg401651t","","","0.8856","","","0.382","0.3699","","","0.7092","0.7275","","","","","","3.241","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509966","28.575","0.003","5.6644","0.0007","13.5525","0.0016","90","","93.238","0.002","90","","2190.1","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H24 Cl N O4 S -","- C24 H24 Cl N O4 S -","- C96 H96 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0413","0.0397","","","0.0945","0.0954","","","","","","1.141","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509967","29.15","0.003","5.7776","0.0007","13.7903","0.0016","90","","91.043","0.002","90","","2322.1","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H26 Cl N O4 S -","- C25 H26 Cl N O4 S -","- C100 H104 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0714","0.062","","","0.1576","0.1657","","","","","","1.056","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510175","16.6363","0.0013","11.7664","0.0009","11.7332","0.0009","90","","96.052","0.001","90","","2284","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H22 Cd2 N4 O11 -","- C36 H22 Cd2 N4 O11 -","- C72 H44 Cd4 N8 O22 -","2","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0293","0.0277","","","0.0699","0.0708","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510349","14.6246","0.0008","12.9505","0.0006","14.8149","0.0008","90","","108.622","0.006","90","","2659","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cd3 N8 O16 -","- C52 H50 Cd3 N8 O16 -","- C104 H100 Cd6 N16 O32 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.051","0.0407","","","0.0731","0.0759","","","","","","1.087","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510350","18.7884","0.0008","10.2572","0.0004","13.2908","0.0007","90","","99.863","0.005","90","","2523.5","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H46 Cd3 N8 O14 -","- C52 H46 Cd3 N8 O14 -","- C104 H92 Cd6 N16 O28 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0436","0.0372","","","0.0653","0.0679","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510390","31.826","0.006","12.51","0.003","35.668","0.003","90","","104.98","0.03","90","","13718","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(4-nitrobenzoyl)-L-alaninate 4.8-hydrate","","- C33 H45.6 N4 O13.8 -","- C33 H44.745 N4 O13.8 -","- C528 H715.92 N64 O220.8 -","16","4","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.29","0.0954","","","0.1553","0.2321","","","","","","0.955","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510418","18.814","0.004","5.7401","0.0012","14.803","0.003","90","","91.957","0.005","90","","1597.7","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0702","0.0464","","","0.1367","0.1681","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510419","18.7783","0.0009","5.7284","0.0003","14.7747","0.0006","90","","91.946","0.005","90","","1588.39","0.13","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0915","0.0503","","","0.1566","0.1839","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510420","18.7305","0.001","5.7286","0.0003","14.6009","0.0008","90","","91.488","0.003","90","","1566.14","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0622","0.0435","","","0.1298","0.162","","","","","","1.107","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510421","18.2329","0.0006","5.6931","0.0002","14.5435","0.0004","90","","92.219","0.001","90","","1508.51","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0287","0.0263","","","0.0721","0.0828","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510422","20.1479","0.0017","6.3269","0.0005","12.3797","0.001","90","","92.249","0.005","90","","1576.9","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0691","0.0433","","","0.1308","0.1636","","","","","","1.125","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510423","20.1528","0.0009","6.3263","0.0003","12.373","0.0005","90","","92.303","0.004","90","","1576.19","0.12","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 F N O2 -","- C16 H16 F N O2 -","- C64 H64 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0529","0.0438","","","0.1354","0.1619","","","","","","1.205","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510424","18.4839","0.0006","5.8648","0.0001","14.7362","0.0004","90","","94.277","0.003","90","","1593.02","0.07","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0405","0.037","","","0.103","0.1081","","","","","","1.058","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510548","20.2423","0.0035","11.6","0.0017","3.50909","0.00067","90","","104.707","0.02","90","","797","0.2","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Agnpz","Trimeric silver(I) 4-nitropyrazolate","","- C9 H6 Ag3 N9 O6 -","- C9 H6 Ag3 N9 O6 -","- C18 H12 Ag6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","14.9","","","","","","","has coordinates","209041","2020-10-21","18:00:00",""
"4510549","19.8406","0.0049","11.4434","0.0018","3.53756","0.00099","90","","104.545","0.029","90","","777.4","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Cunpz","Trimeric copper(I) 4-nitropyrazolate","","- C9 H6 Cu3 N9 O6 -","- C9 H6 Cu3 N9 O6 -","- C18 H12 Cu6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","","","","","","","","has coordinates","209041","2020-10-21","18:00:00",""
"4510892","24.545","0.001","7.2894","0.0003","15.25","0.0008","90","","122.679","0.007","90","","2296.6","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H40 N2 O2 -","- C24 H40 N2 O2 -","- C96 H160 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0375","0.0318","","","0.0725","0.0739","","","","","","0.98","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510898","25.321","0.002","7.421","0.002","15.393","0.002","90","","123.4","","90","","2414.8","0.7","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H42 N2 O2 -","- C25 H42 N2 O2 -","- C100 H168 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0691","0.0503","","","0.129","0.1418","","","","","","1.039","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4511297","16.274","0.01","7.323","0.005","36.49","0.02","90","","94.22","0.008","90","","4337","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H50 N O -","- C59 H50 N O -","- C236 H200 N4 O4 -","4","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","0.71073","MoKα","","0.1385","0.0943","","","0.2172","0.2398","","","","","","1.109","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511300","58.6098","0.0012","7.5624","0.0002","10.7139","0.0004","90","","97.989","0.002","90","","4702.6","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Stanozolol / D-phenyllactic acid cocrystal","(R)-2-hydroxy-3-phenylpropanoic acid compound with acetonitrile and (1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta [5,6]naphtho[1,2-f]indazol-1-ol (1:1:2)","","- C53 H77 N5 O5 -","- C53 H77 N5 O5 -","- C212 H308 N20 O20 -","4","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","1.54184","CuKα","","0.096","0.0837","","","0.2139","0.2237","","","","","","1.086","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511378","25.011","0.02","5.734","0.004","17.66","0.014","90","","125.098","0.009","90","","2072","3","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1698","0.0905","","","0.2265","0.2554","","","","","","0.927","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511731","21.2058","0.0007","17.4701","0.0011","17.1129","0.0008","90","","125.14","0.0022","90","","5184.3","0.5","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","1,4-bis(17?-hydroxy-17?-ethynyl-4-estren-3-one)-2,3-difluorobenzene","","- C46 H52 F2 O4 -","- C46 H52 F2 O4 -","- C184 H208 F8 O16 -","4","1","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1999","0.106","","","0.2651","0.3298","","","","","","1.027","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511981","28.09047","0.00002","6.946607","0.000007","12.030411","0.000012","90","","115.236","0.00006","90","","2123.49","0.004","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","hydrated rhabdophane","","","- O4.667 P Sm -","- O4.66667 P Sm -","- O112 P24 Sm24 -","24","6","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","0.6967","synchrotron","","","","","","","","","4.1155","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511982","12.14431","0.00009","7.01776","0.00007","6.34756","0.00015","90","","90.028","0.003","90","","540.976","0.014","573","","573","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- O4 P Sm -","- O4 P Sm -","- O24 P6 Sm6 -","6","1.5","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","1.54056","'CuKα","","","","","","","","","11.6193","","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512229","34.8962","0.0007","8.12494","0.00016","4.91985","0.00011","90","","90.939","0.002","90","","1394.74","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H16 N5 O7.5 -","- C10 H16 N5 O7.5 -","- C40 H64 N20 O30 -","4","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.031","0.0291","","","0.0718","0.0733","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512299","27.3789","0.0019","6.8157","0.0002","20.8598","0.0014","90","","134.626","0.012","90","","2770.4","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61 H54 I N8 Na O6 -","- C61 H52 I N8 Na O6 -","- C122 H104 I2 N16 Na2 O12 -","2","0.5","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","1.5418","CuKα","","0.0367","0.0364","","","0.0955","0.0957","","","","","","1.078","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512329","26.676","0.005","18.145","0.004","18.954","0.004","90","","118.54","0.03","90","","8060","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H70 B2 Co Cu4 N18 O16 -","- C52 H45 B2 Co Cu4 N18 O16 -","- C208 H180 B8 Co4 Cu16 N72 O64 -","4","1","","Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop","Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation","Crystal Growth & Design","2014","14","12","6472","","10.1021/cg501332u","","","0.7","synchrotron","","0.108","0.0726","","","0.2032","0.2196","","","","","","0.962","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512330","26.604","0.005","18.113","0.004","18.925","0.004","90","","118.24","0.03","90","","8034","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H70 B2 Co Cu4 N18 O16 -","- C52 H53 B2 Co Cu4 N18 O16 -","- C208 H212 B8 Co4 Cu16 N72 O64 -","4","1","","Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop","Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation","Crystal Growth & Design","2014","14","12","6472","","10.1021/cg501332u","","","0.7","synchrotron","","0.1036","0.0811","","","0.229","0.254","","","","","","1.036","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512402","25.07","0.005","12.353","0.002","17.111","0.003","90","","122.56","0.03","90","","4466","2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 3.86-hydrate","brucine 3.86-hydrate","","- C23 H33.67 N2 O7.86 -","- C23 H32.717 N2 O7.855 -","- C184 H261.736 N16 O62.84 -","8","2","","Białońska, Agata; Ciunik, Zbigniew; Ilczyszyn, Maria M.; Siczek, Miłosz","Discrete Cuboidal 15- and 16-Membered Water Clusters in Brucine 3.86-Hydrate, Water Release and Its Consequences","Crystal Growth & Design","2014","14","12","6537","","10.1021/cg501437g","","","0.71073","MoKα","","0.0704","0.0432","","","0.0787","0.0877","","","","","","0.922","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512623","21.2314","0.0012","6.6965","0.0006","10.3708","0.0009","90","","103.438","0.004","90","","1434.1","0.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0827","0.078","","","0.1965","0.2054","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512624","21.1952","0.0013","6.681","0.0004","10.3392","0.0006","90","","103.813","0.003","90","","1421.74","0.15","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0777","0.0629","","","0.1483","0.1606","","","","","","1.071","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512643","11.2621","0.0011","7.1374","0.0007","6.5867","0.0006","90","","109.523","0.001","90","","499.01","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Y -","- C5 H9 N2 O8 Y -","- C10 H18 N4 O16 Y2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0312","0.0312","","","0.0797","0.0797","","","","","","1.039","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512644","11.43","0.004","7.22","0.003","6.655","0.002","90","","109.912","0.004","90","","516.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Sm -","- C5 H9 N2 O8 Sm -","- C10 H18 N4 O16 Sm2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0351","0.0332","","","0.0886","0.0889","","","","","","1.167","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512645","11.4164","0.0016","7.1985","0.001","6.6405","0.0009","90","","109.829","0.002","90","","513.37","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Eu N2 O8 -","- C5 H9 Eu N2 O8 -","- C10 H18 Eu2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0252","0.0252","","","0.0638","0.0638","","","","","","1.03","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512646","11.38","0.004","7.182","0.002","6.628","0.002","90","","109.754","0.004","90","","509.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Gd N2 O8 -","- C5 H9 Gd N2 O8 -","- C10 H18 Gd2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0238","0.0238","","","0.0603","0.0603","","","","","","1.039","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512647","11.3379","0.001","7.1677","0.0006","6.608","0.0006","90","","109.69","0.001","90","","505.61","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Tb -","- C5 H9 N2 O8 Tb -","- C10 H18 N4 O16 Tb2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0326","0.0326","","","0.086","0.086","","","","","","1.076","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512648","11.2487","0.0009","7.1296","0.0006","6.5731","0.0005","90","","109.51","0.001","90","","496.89","0.07","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Ho N2 O8 -","- C5 H9 Ho N2 O8 -","- C10 H18 Ho2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0152","0.0152","","","0.0381","0.0381","","","","","","1.097","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512649","11.172","0.002","7.102","0.0015","6.539","0.0013","90","","109.472","0.002","90","","489.15","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Tm -","- C5 H9 N2 O8 Tm -","- C10 H18 N4 O16 Tm2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0177","0.0177","","","0.0438","0.0438","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512650","11.127","0.002","7.087","0.0015","6.5183","0.0014","90","","109.334","0.002","90","","485.03","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Yb -","- C5 H9 N2 O8 Yb -","- C10 H18 N4 O16 Yb2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0522","0.0522","","","0.1361","0.1361","","","","","","1.08","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512651","11.081","0.003","7.0226","0.0018","6.485","0.0017","90","","109.129","0.004","90","","476.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Lu N2 O8 -","- C5 H9 Lu N2 O8 -","- C10 H18 Lu2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0105","0.0105","","","0.0285","0.0285","","","","","","1.104","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512765","24.355","0.006","11.626","0.003","7.783","0.002","90","","98.371","0.003","90","","2180.3","1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.","4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation","Crystal Growth & Design","2015","15","3","1362","","10.1021/cg5017615","","","0.71073","MoKα","","0.0367","0.0332","","","0.0778","0.0802","","","","","","1.032","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512880","18.516","0.003","7.9896","0.0011","16.502","0.002","90","","118.946","0.002","90","","2136.3","0.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 Cd2 N0 O14 -","- C16 H16 Cd2 O14 -","- C64 H64 Cd8 O56 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71073","MoKα","","0.0406","0.0388","","","0.1255","0.1274","","","","","","1.166","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4513405","20.316","0.0018","5.205","0.0003","13.5364","0.0014","90","","114.387","0.012","90","","1303.7","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C60 H52 F4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0406","0.0351","","","0.0854","0.0904","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513460","25.837","0.004","10.8944","0.0015","9.5596","0.0014","90","","90.903","0.007","90","","2690.5","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H14 Cd N6 O13 -","- C26 H14 Cd N6 O13 -","- C104 H56 Cd4 N24 O52 -","4","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0588","0.0398","","","0.0727","0.0781","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513521","22.299","0.005","7.964","0.005","8.85","0.0017","90","","113.377","0.01","90","","1442.7","1","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Giti29","","","- C6 I3 N O2 Pb -","- C6 I3 N O2 Pb -","- C24 I12 N4 O8 Pb4 -","4","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0205","0.0203","","","0.0475","0.0476","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513649","19.366","0.002","7.5362","0.0008","12.7737","0.0013","90","","97.854","0.001","90","","1846.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dibromido{(S)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Br2 N2 Pd -","- C20 H16 Br2 N2 Pd -","- C80 H64 Br8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0269","0.024","","","0.0523","0.0539","","","","","","0.752","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513650","19.3363","0.0007","7.5375","0.0003","12.7658","0.0005","90","","97.841","0.001","90","","1843.19","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dibromido{(R)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Br2 N2 Pd -","- C20 H16 Br2 N2 Pd -","- C80 H64 Br8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0222","0.0194","","","0.037","0.0378","","","","","","0.898","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513651","19.328","0.003","7.4478","0.0013","12.577","0.002","90","","97.27","0.002","90","","1795.9","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dichlorido{(S)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Cl2 N2 Pd -","- C20 H16 Cl2 N2 Pd -","- C80 H64 Cl8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0238","0.0219","","","0.0512","0.0525","","","","","","1.074","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513656","27.301","0.0018","8.7461","0.0005","10.8469","0.0007","90","","96.239","0.007","90","","2574.7","0.3","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.06","0.0438","","","0.086","0.0966","","","","","","1.05","","","","has coordinates","159576","2020-10-21","18:00:00",""
"4513689","22.9097","0.001","6.891","0.0003","14.4132","0.0006","90","","106.62","0.004","90","","2180.36","0.17","100.02","0.13","100.02","0.13","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H14 Cd1.5 N2 O9 -","- C16 H14 Cd1.5 N2 O9 -","- C64 H56 Cd6 N8 O36 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54184","CuKα","","0.0446","0.0426","","","0.1122","0.1144","","","","","","1.008","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513690","22.8156","0.0011","6.9955","0.0004","14.4043","0.0007","90","","106.694","0.005","90","","2202.1","0.2","100.12","0.1","100.12","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H10 Cd1.5 N2 O9 -","- C16 H10 Cd1.5 N2 O9 -","- C64 H40 Cd6 N8 O36 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54184","CuKα","","0.0458","0.0422","","","0.1141","0.1185","","","","","","0.974","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513907","19.697","0.003","5.855","0.002","9.532","0.003","90","","95.8","0.02","90","","1093.7","0.5","80","2","80","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H30 Ca O12 -","- C16 H30 Ca O12 -","- C32 H60 Ca2 O24 -","2","0.5","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","0.71073","MoKα","","0.1457","0.0993","","","0.1847","0.2125","","","","","","1.121","","","","has coordinates,has disorder","186952","2020-10-21","18:00:00",""
"4513983","33.03","0.003","14.5141","0.0015","23.743","0.002","90","","106.097","0.002","90","","10936.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.38 H57 Cl1.75 N4 O9 -","- C60.375 H57 Cl1.75 N4 O9 -","- C483 H456 Cl14 N32 O72 -","8","2","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0947","0.0736","","","0.1833","0.1982","","","","","","1.058","","","","has coordinates,has disorder","187792","2020-10-21","18:00:00",""
"4514048","22.5768","0.0011","8.5784","0.0002","12.0175","0.0006","90","","121.047","0.006","90","","1994.04","0.19","105.1","","105.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Chen, Xiaohong; Yang, Shujing; Li, Helong; Wang, Bo; Song, Guoyong","Enantioselective C‒H Annulation of Indoles with Diazo Compounds through a Chiral Rh(III) Catalyst","ACS Catalysis","2017","","","2392","","10.1021/acscatal.7b00104","","","1.5418","CuKα","","0.0375","0.0366","","","0.0928","0.0939","","","","","","1.035","","","","has coordinates","192784","2020-10-21","18:00:00",""
"4514152","20.7776","","14.3517","","18.813","","90","","111.073","","90","","5234.75","","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H28 F3 Ir N2 O2 S -","- C25 H28 F3 Ir N2 O2 S -","- C200 H224 F24 Ir8 N16 O16 S8 -","8","2","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0359","","","","0.0935","","","","","","1","","","","has coordinates","197577","2020-10-21","18:00:00",""
"4514164","22.1203","0.0005","7.6123","0.0001","16.3803","0.0004","90","","127.077","0.004","90","","2200.58","0.14","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C55 H44 Cl2 N2 O4 -","- C55 H44 Cl2 N2 O4 -","- C110 H88 Cl4 N4 O8 -","2","0.5","","He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua","Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization","ACS Catalysis","2017","7","8","5316","","10.1021/acscatal.7b01855","","","1.54184","CuKα","","0.0371","0.0365","","","0.1008","0.1017","","","","","","1.056","","","","has coordinates","200646","2020-10-21","18:00:00",""
"4514240","17.9328","0.0003","6.97043","0.00015","20.1733","0.0003","90","","95.8396","0.0016","90","","2508.56","0.08","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H10 Br2 F N S -","- C11 H10 Br2 F N S -","- C88 H80 Br16 F8 N8 S8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.061","0.0575","","","0.1562","0.1617","","","","","","1.061","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514242","17.9398","0.0002","6.9704","0.00007","20.1721","0.0002","90","","95.826","0.0011","90","","2509.44","0.05","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H10 Br2 F N S -","- C11 H10 Br2 F N S -","- C88 H80 Br16 F8 N8 S8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0372","0.035","","","0.0911","0.1016","","","","","","1.112","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514762","25.1281","0.0009","6.268","0.0002","15.987","0.0006","90","","99.524","0.002","90","","2483.29","0.15","90","","90","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.48 H29.66 Cl1.27 N O3 -","- C29.483 H29.657 Cl1.275 N O3 -","- C117.932 H118.628 Cl5.1 N4 O12 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Gnanamani, Elumalai","Tuning the Reactivity of Ketones through Unsaturation: Construction of Cyclic and Acyclic Quaternary Stereocenters via Zn-ProPhenol Catalyzed Mannich Reactions","ACS Catalysis","2019","9","2","1549","","10.1021/acscatal.8b04685","","x-ray","1.54178","CuKα","","0.043","0.0406","","","0.0989","0.1012","","","","","","1.054","","","","has coordinates,has disorder","219922","2020-10-21","18:00:00",""
"4515365","23.8564","0.0019","12.3699","0.0008","28.581","0.003","90","","114.094","0.002","90","","7699.5","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H16 Br2 N4 -","- C32 H16 Br2 N4 -","- C384 H192 Br24 N48 -","12","3","","Gan, Shifeng; Hu, Shimin; Li, Xiang-Long; Zeng, Jiajie; Zhang, Dongdong; Huang, Tianyu; Luo, Wenwen; Zhao, Zujin; Duan, Lian; Su, Shi-Jian; Tang, Ben Zhong","Heavy Atom Effect of Bromine Significantly Enhances Exciton Utilization of Delayed Fluorescence Luminogens.","ACS applied materials & interfaces","2018","10","20","17327","17334","10.1021/acsami.8b05389","","","0.71073","MoKα","","0.1986","0.0805","","","0.175","0.2275","","","","","","1.084","","","","has coordinates,has disorder","225518","2020-10-21","18:00:00",""
"4515472","26.466","0.002","17.7566","0.0012","22.8328","0.0016","90","","124.789","0.001","90","","8812.3","1.1","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N7 O7 -","- C36 H57 N7 O7 -","- C288 H456 N56 O56 -","8","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0492","0.0435","","","0.12","0.1245","","","","","","1.038","","","","has coordinates,has disorder","225627","2020-10-21","18:00:00",""
"4515707","21.4471","0.001","6.4084","0.0003","12.069","0.0005","90","","113.464","0.002","90","","1521.62","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C68 H60 N4 O20 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.0247","0.0247","","","0.0652","0.0653","","","","","","1.045","","","","has coordinates","225839","2020-10-21","18:00:00",""
"4515755","26.96","0.01","8.264","0.003","9.337","0.004","90","","107.363","0.005","90","","1985.5","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Liu, Xihong; Wang, Pengxin; Bai, Lutao; Li, Dan; Wang, Linqing; Yang, Dongxu; Wang, Rui","Construction of Vicinal All-Carbon Quaternary Stereocenters Enabled by a Catalytic Asymmetric Dearomatization Reaction of β-Naphthols with 3-Bromooxindoles","ACS Catalysis","2018","8","11","10888","","10.1021/acscatal.8b03905","","","0.71073","MoKα","","0.0367","0.0341","","","0.1","0.1048","","","","","","0.999","","","","has coordinates","225880","2020-10-21","18:00:00",""
"4516089","20.1803","0.0008","6.2496","0.0003","17.1447","0.0008","90","","100.701","0.002","90","","2124.67","0.17","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","[Ni2(Hhissal)2(adi)(H2O)2].8H2O","","","- C32 H56 N6 Ni2 O20 -","- C32 H56 N6 Ni2 O20 -","- C64 H112 N12 Ni4 O40 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Encapsulation of a Water Octamer Chain in a Chiral 2D Sheetlike Supramolecular Coordination Network Composed of Dinickel-Dicarboxylate Subunits.","ACS omega","2018","3","9","11062","11070","10.1021/acsomega.8b01355","","","0.71073","MoKα","","0.051","0.0431","","","0.1181","0.1306","","","","","","1.029","","","","has coordinates","226102","2020-10-21","18:00:00",""
"4516448","26.1189","0.0012","4.0778","0.0002","15.4735","0.0007","90","","119.509","0.004","90","","1434.26","0.13","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H16 N8 O4 S2 -","- C7 H16 N8 O4 S2 -","- C28 H64 N32 O16 S8 -","4","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.1148","0.0431","","","0.0625","0.0803","","","","","","1","","","","has coordinates","231327","2020-10-21","18:00:00",""
"4516544","15.71","0.004","8.607","0.002","18.326","0.006","90","","110.784","0.005","90","","2316.7","1.1","90","","90","","","","","","","","synthesized","5","C 1 2 1","C 2y","5","","","","- C23 H37 Br N O2 -","- C23 H37 Br N O2 -","- C92 H148 Br4 N4 O8 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0397","0.03","","0.0763","0.0686","0.0763","","","","","","0.8908","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516717","29.3161","0.0007","8.847","0.0003","16.2475","0.0011","90","","122.222","0.009","90","","3564.9","0.5","566","2","566.3","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H29 F4 N2 O2 -","- C45 H29 F4 N2 O2 -","- C180 H116 F16 N8 O8 -","4","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54178","CuKα","","0.0537","0.0472","","","0.1342","0.1435","","","","","","1.08","","","","has coordinates,has disorder","239484","2020-10-21","18:00:00",""
"4516772","17.681","0.002","5.8685","0.0007","14.2464","0.0019","90","","98.134","0.008","90","","1463.3","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","azide_3g","azide_3g","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0456","0.0433","","","0.1121","0.1151","","","","","","1.063","","","","has coordinates","239528","2020-10-21","18:00:00",""
"4516798","23.6556","0.001","6.5523","0.0002","18.1925","0.0007","90","","123.699","0.003","90","","2345.98","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H35 N O6 Si -","- C22 H35 N O6 Si -","- C88 H140 N4 O24 Si4 -","4","1","","Tomoshige, Shusuke; Dik, David A.; Akabane-Nakata, Masaaki; Madukoma, Chinedu S.; Fisher, Jed F.; Shrout, Joshua D.; Mobashery, Shahriar","Total Syntheses of Bulgecins A, B, and C and Their Bactericidal Potentiation of the β-Lactam Antibiotics.","ACS infectious diseases","2018","4","6","860","867","10.1021/acsinfecdis.8b00105","","","1.54184","CuKα","","0.0453","0.0449","","","0.1311","0.1319","","","","","","1.033","","","","has coordinates,has disorder","239546","2020-10-21","18:00:00",""
"4517002","31.769","0.0009","8.9771","0.0002","32.5469","0.001","90","","110.34","0.003","90","","8703.4","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C173 H226 Cu4 N12 O31 -","- C173 H226 Cu4 N12 O31 -","- C346 H452 Cu8 N24 O62 -","2","0.5","","Dey, Gourab; Venkateswarulu, Mangili; Vivekananthan, Venkateswaran; Pramanik, Avijit; Krishnan, Venkata; Koner, Rik Rani","Sub-Picomolar Recognition of Cr3+ through Bioinspired Organic‒Inorganic Ensemble Utilization","ACS Sensors","2016","1","6","663","","10.1021/acssensors.6b00046","","","1.54184","CuKα","","0.098","0.091","","","0.3327","0.3408","","","","","","1.093","","","","has coordinates","239684","2020-10-21","18:00:00",""
"4517060","40.457","0.005","3.9423","0.0006","10.2361","0.0014","90","","91.359","0.012","90","","1632.1","0.4","292","2","292","2","","","","","","","see text","4","C 1 2 1","C 2y","5","","7,9-di(thiophen-2-yl)-8H-cyclopenta[a]acenaphthylen-8-one","","- C23 H12 O S2 -","- C23 H12 O S2 -","- C92 H48 O4 S8 -","4","1","","Bai, Monalisa; Thomas, Sajesh P.; Kottokkaran, Ranjith; Nayak, Susanta K.; Ramamurthy, Praveen C.; Guru Row, T. N.","A Donor‒Acceptor‒Donor Structured Organic Conductor with S···S Chalcogen Bonding","Crystal Growth & Design","2014","14","2","459","","10.1021/cg401069y","","x-ray","0.71073","MoKα","","0.1221","0.0882","","","0.2207","0.2477","","","","","","1.04","","","","has coordinates","239717","2020-10-21","18:00:00",""
"4517328","18.1357","0.0003","18.1424","0.0004","17.9779","0.0004","90","","90.1029","0.0015","90","","5915.2","0.2","150.01","0.12","150.01","0.12","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H60 B F24 P2 Rh -","- C57 H60 B F24 P2 Rh -","- C228 H240 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0273","0.0269","","","0.0706","0.0711","","","","","","1.049","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517496","12.2802","0.0006","7.2838","0.0004","37.4807","0.0017","90","","90.803","0.004","90","","3352.2","0.3","180","0.1","180","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C156 H216 O20 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.1091","0.0598","","","0.1074","0.1213","","","","","","1.01","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517736","26.3544","0.0016","5.2948","0.0003","23.28","0.0015","90","","113.841","0.002","90","","2971.3","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C35 H36 N2 O5 -","- C35 H36 N2 O5 -","- C140 H144 N8 O20 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","0.71073","MoKα","","0.0603","0.0411","","","0.0844","0.0909","","","","","","1.025","","","","has coordinates","252497","2020-10-21","18:00:00",""
"4517859","24.012","0.0018","14.093","0.0009","16.6128","0.0016","90","","107.838","0.01","90","","5351.5","0.8","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C72 H84 K3 O60 -","- C72 H84 K3 O60 -","- C144 H168 K6 O120 -","2","0.5","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","x-ray","1.54184","CuKα","","0.1175","0.077","","","0.2018","0.2293","","","","","","0.938","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4518046","16.6577","0.0003","9.0916","0.0002","11.5007","0.0002","90","","102.302","0.002","90","","1701.73","0.06","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H17 Cl3 N2 O6 -","- C13 H17 Cl3 N2 O6 -","- C52 H68 Cl12 N8 O24 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0388","0.0383","","","0.0992","0.0997","","","","","","1.014","","","","has coordinates,has disorder","257074","2020-10-21","18:00:00",""
"4518057","27.5054","0.0002","7.159","0.0001","28.9864","0.0002","90","","91.009","0.001","90","","5706.86","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C128 H210 O13 -","- C128 H210 O13 -","- C256 H420 O26 -","2","0.5","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0354","0.0343","","","0.0922","0.0931","","","","","","1.036","","","","has coordinates,has disorder","256998","2020-10-21","18:00:00",""
"4518135","20.829","0.0005","6.8342","0.0002","10.208","0.0003","90","","112.556","0.002","90","","1341.95","0.07","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C72 H56 N4 O4 -","2","0.5","","Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid","Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound.","ACS omega","2020","5","42","27227","27234","10.1021/acsomega.0c03376","","","1.54178","","","0.0263","0.0259","","","0.0701","0.0706","","","","","","1.047","","","","has coordinates","258701","2020-11-04","01:17:07",""
"4518318","22.1472","0.0019","6.7744","0.0006","11.9744","0.001","90","","113.721","0.003","90","","1644.8","0.2","125","2","125","2","","","","","","","","5","C 1 2 1","C 2y","5","(+)-3e","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0514","0.037","","","0.0794","0.0857","","","","","","1.03","","","","has coordinates","260414","2021-01-04","03:05:51",""
"4518345","30.933","0.0007","17.5225","0.0006","24.1606","0.0007","90","","92.0449","0.001","90","","13087.3","0.7","113","2","113","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C472 H300 Cl72 F48 N16 O66 Rh8 S32 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0897","0.0604","","","0.1479","0.179","","","","","","1.071","","","","has coordinates,has disorder","260175","2020-12-28","22:19:25",""
"4518470","22.7379","0.0012","7.3689","0.0004","14.3911","0.0007","90","","91.61","0.002","90","","2410.3","0.2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H28 N2 O5 S -","- C27 H28 N2 O5 S -","- C108 H112 N8 O20 S4 -","4","1","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0322","0.0301","","","0.0732","0.0747","","","","","","1.05","","","","has coordinates","261415","2021-02-03","20:27:22",""
"4518497","19.1751","0.0019","9.6598","0.001","13.3995","0.0013","90","","120.229","0.0014","90","","2144.5","0.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C88 H100 N12 O20 -","- C88 H100 N12 O20 -","- C88 H100 N12 O20 -","1","0.25","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Hai-feng","Novel Chiral Thiourea Derived from Hydroquinine and l-Phenylglycinol: An Effective Catalyst for Enantio- and Diastereoselective Aza-Henry Reaction","ACS Omega","2021","6","8","5812","5824","10.1021/acsomega.0c06233","","","0.71073","MoKα","","0.0496","0.0452","","","0.1031","0.1064","","","","","","1.049","","","","has coordinates","262440","2021-03-04","02:52:10",""
"4518523","28.1259","0.0009","7.5367","0.0003","20.6213","0.0005","90","","104.756","0.003","90","","4227.1","0.2","173","0.1","173","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H34 Br8 N2 O6 -","- C40 H34 Br8 N2 O6 -","- C160 H136 Br32 N8 O24 -","4","1","","Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun","Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition","ACS Catalysis","2021","","","2684","2690","10.1021/acscatal.0c05515","","x-ray","1.54184","CuKα","","0.0276","0.0258","","","0.0634","0.0642","","","","","","1.07","","","","has coordinates","262408","2021-03-03","20:34:48",""
"4518867","16.956","0.0007","21.4248","0.0014","12.6214","0.0006","90","","121.167","0.003","90","","3923.3","0.4","103","2","103","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H18 N3 Na2 O31 P3 Tb2 -","- C48 H18 N3 Na2 O31 P3 Tb2 -","- C96 H36 N6 Na4 O62 P6 Tb4 -","2","0.5","","Jia, Peng; Gao, Liang; Zheng, Yan; Zheng, Xian; Wang, Chang; Yang, Chaolong; Li, Youbing; Zhao, Yanli","Ultrastable Tb-Organic Framework as a Selective Sensor of Phenylglyoxylic Acid in Urine.","ACS applied materials & interfaces","2021","13","28","33546","33556","10.1021/acsami.1c09202","","","1.54178","CuKα","","0.0988","0.079","","","0.2103","0.2269","","","","","","1.042","","","","has coordinates,has disorder","267924","2021-08-03","23:28:15",""
"4518958","25.918","0.004","5.5061","0.0008","10.7277","0.0015","90","","101.044","0.005","90","","1502.6","0.4","120","2","120","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","[3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid","ACS Catalysis","2021","","","10789","10795","10.1021/acscatal.1c02533","","","0.71073","MoKα","","0.1083","0.0597","","","0.1164","0.1397","","","","","","1.046","","","","has coordinates","268393","2021-09-03","19:29:40",""
"4518966","35.178","0.006","10.1527","0.0018","14.771","0.003","90","","99.986","0.006","90","","5195.6","1.7","170","2","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H132 Cl4 N8 Ni2 -","- C84 H132 Cl4 N8 Ni2 -","- C168 H264 Cl8 N16 Ni4 -","2","0.5","","Cheng, Xiaokai; Li, Tongtong; Liu, Yuting; Lu, Zhan","Stereo- and Enantioselective Benzylic C‒H Alkenylation via Photoredox/Nickel Dual Catalysis","ACS Catalysis","2021","","","11059","11065","10.1021/acscatal.1c02851","","","0.71073","MoKα","","0.1563","0.07","","","0.1514","0.2091","","","","","","1.014","","","","has coordinates,has disorder","268398","2021-09-03","19:32:42",""
"4518972","16.795","0.007","7.392","0.003","26.651","0.01","90","","91.163","0.009","90","","3308","2","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C160 H160 N16 O16 -","8","2","","Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi","Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach","ACS Catalysis","2021","","","10847","10854","10.1021/acscatal.1c02653","","","0.71073","MoKα","","0.0774","0.0533","","","0.1283","0.1408","","","","","","1.043","","","","has coordinates","268404","2021-09-03","19:35:41",""
"4519291","22.954","0.003","8.0412","0.0011","10.4938","0.0014","90","","94.297","0.005","90","","1931.5","0.4","172","2","172","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0303","0.0298","","","0.08","0.0805","","","","","","1.071","","","","has coordinates","272461","2022-02-03","20:38:11",""
"4519427","28.0367","0.0016","7.5296","0.0004","17.7558","0.001","90","","113.99","0.003","90","","3424.5","0.3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H64 N O8.5 -","- C34 H64 N O8.5 -","- C136 H256 N4 O34 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0651","0.0563","","","0.1396","0.1461","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","274927","2022-05-05","16:28:17",""
"5000061","17.27","0.01","12.565","0.001","14.353","0.001","90","","109.49","0.01","90","","2936.1","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H76 O8 -","- C84 H60 O8 -","- C168 H120 O16 -","2","0.5","","Toda, Fumio; Tanaka, Koichi; Stein, Zafra; Goldberg, Israel","Structure and inclusion characteristics of (R,R)-(‒)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","Journal of the Chemical Society, Perkin Transactions 2","1993","","12","2359","2361","10.1039/P29930002359","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000234","31.551","0.005","6.219","0.007","25.35","0.003","90","","97.78","0.01","90","","4928.28","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C47 H76 O18 -","- C47 H68 O18 -","- C188 H272 O72 -","4","1","","Yasumoto, T.; Murata, M.; Oshima, Y.; Sano, M.; Matsumoto, G. K.; Clardy, J.","Diarrhetic shellfish toxins","Tetrahedron","1985","41","6","1019","1025","10.1016/S0040-4020(01)96469-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000244","15.909","0.006","13.15","0.006","12.754","0.005","90","","101.13","0.02","90","","2618","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H64 N8 O6 S2 -","- C92 N16 O12 S4 -","- C184 N32 O24 S8 -","2","0.5","","Ishida, Toshimasa; Inoue, Masatoshi; Hamada, Yasumasa; Kato, Shinji; Shioiri, Takayuki","X-Ray crystal structure of ascidiacyclamide, a cytotoxic cyclic peptide from ascidian","Journal of the Chemical Society, Chemical Communications","1987","","5","370","371","10.1039/C39870000370","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000283","15.454","0.005","6.547","0.003","11.425","0.004","90","","121.27","0.03","90","","988.03","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H11 N O6 -","- C9 H10 N O6 -","- C36 H40 N4 O24 -","4","1","","Tsukuda, Y.; Koyama, H.","Crystal and molecular structure of showdomycin","Journal of the Chemical Society B: Physical Organic","1970","","","1709","1712","10.1039/J29700001709","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000266","9.5323","","5.6064","","9.8535","","90","","110.667","","90","","492.7","","","","","","","","","","","","","3","C 1 2 1","","","","","","- Bi Mn O3 -","","","","","","Atou, T.; Chiba, H.; Ohoyama, K.; Yamaguchi, Y.; Syono, Y.","Structure determination of ferromagnetic perovskite BiMnO3","Journal of Solid State Chemistry","1999","145","","639","642","10.1006/jssc.1999.8267","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000356","16.82","","6.333","","6.331","","90","","106.2","","90","","647.61","","","","","","","","","","","","","7","C 1 2 1","","","","","","- C3 H14 F4 N2 O9 P2 Ti2 -","","","","","","Serre, C.; Ferey, G.","Hydrothermal synthesis and ab initio structural approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O","Journal of Materials Chemistry","1999","9","","579","584","10.1039/a802710b","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000502","19.1418","","8.5274","","14.5454","","90","","104.543","","90","","2298.17","","","","","","","","","","","","","6","C 1 2 1","","","","","","- C6 H23 Al3 N4 O17 P4 -","","","","","","Simon, N.; Loiseau, T.; Ferey, G.","Synthesis and crystal structure of MIL-32: a new chiral layered aluminophosphate templated with non chiral tris(2-aminoethyl)amine: Al3(PO4)(4), N4C6H21, H2O","Solid State Sciences","2000","2","","389","395","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000685","13.5238","0.0003","5.5285","0.0001","9.1886","0.0002","90","","96.171","0.001","90","","683.02","0.02","","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Bi7 F11 O5 -","- Bi7 F11 O5 -","- Bi14 F22 O10 -","2","0.5","","Laval, J.-P.; Champarnaud-Mesjard, J.-C.; Frit, B.; Britel, A.; Mikou, A.","BI7F11O5 - a new ordered anion-excess fluorite-related structure with columnar clusters","European Journal of Solid State and Inorganic Chemistry","1994","31","","943","956","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.033","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"7000939","17.9479","0.0006","6.2856","0.0004","12.5093","0.0007","90","","93.78","0.003","90","","1408.15","0.13","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H19 N -","- C18 H19 N -","- C72 H76 N4 -","4","1","","Djukic, Jean-Pierre; Parkhomenko, Ksenia; Hijazi, Akram; Chemmi, Atika; Allouche, Lionel; Brelot, Lydia; Pfeffer, Michel; Ricard, Louis; Le Goff, Xavier-Frédéric","μ-Chlorido, μ-hydroxo-bridged dicarbonyl ruthenacycles: synthesis, structure and catalytic properties in hydrogen atom transfer","Dalton Transactions","2009","","15","2695","2711","10.1039/b820426h","","x-ray","0.71073","MoKα","","0.0504","0.0432","","","0.1155","0.1209","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000982","26.087","0.006","10.143","0.002","22.461","0.005","90","","123.957","0.003","90","","4929.6","1.9","297","2","297","2","","","","","","","","7","C 1 2 1","C 2y","5","Chloro-((Sp,Sp)-(2,2''-bis(diphenylphosphino-kappaP)-1,1''- biferrocene)-(6-benzene)) ruthenium(1+) hexafluorophosphate, solvate with unknown solvent","Chloro-{(Sp,Sp)-[2,2""-bis(diphenylphosphino-κP)-1,1""-biferrocene]- (ε6-benzene)} ruthenium(1+) hexafluorophosphate, solvate with unknown solvent.","","- C50 H42 Cl F6 Fe2 P3 Ru -","- C50 H42 Cl F6 Fe2 P3 Ru -","- C200 H168 Cl4 F24 Fe8 P12 Ru4 -","4","1","","Espino, Gustavo; Xiao, Li; Puchberger, Michael; Mereiter, Kurt; Spindler, Felix; Manzano, Blanca R.; Jalón, Félix A.; Weissensteiner, Walter","Synthesis, coordination behaviour, structural features and use in asymmetric hydrogenations of bifep-type biferrocenes","Dalton Transactions","2009","","15","2751","2763","10.1039/b816544k","","","0.71073","MoKα","","0.0725","0.0482","","","0.101","0.108","","","","","","0.938","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001271","14.0031","0.0006","19.7115","0.0009","13.8599","0.0006","90","","104.205","0.002","90","","3708.7","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H39 Cl N6 O11 V2 -","- C36 H39 Cl N6 O11 V2 -","- C144 H156 Cl4 N24 O44 V8 -","4","1","","Kirk Egdal, Rune; Bond, Andrew D.; McKenzie, Christine J.","Air oxidation of divanadium(IV) complexes","Dalton Transactions","2009","","19","3833","3839","10.1039/b901633c","","","0.71073","MoKα","","0.089","0.0542","","","0.1274","0.1332","","","","","","0.903","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001443","18.265","0.003","12.584","0.002","19.116","0.003","90","","102.399","0.004","90","","4291.3","1.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H40 Cl2 Fe2 N10 O17 -","- C32 H32 Cl2 Fe2 N10 O17 -","- C128 H128 Cl8 Fe8 N40 O68 -","4","1","","Roy, Mithun; Bhowmick, Tuhin; Santhanagopal, Ramkumar; Ramakumar, Suryanarayana; Chakravarty, Akhil R.","Photo-induced double-strand DNA and site-specific protein cleavage activity of l-histidine (μ-oxo)diiron(iii) complexes of heterocyclic bases","Dalton Transactions","2009","","24","4671","4682","10.1039/b901337g","","","0.71073","MoKα","","0.1863","0.123","","","0.2528","0.2949","","","","","","1.047","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001633","8.2056","0.0002","15.9411","0.0005","18.1132","0.0005","90","","102.141","0.003","90","","2316.33","0.12","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H16 F6 Fe N2 O6 S4 -","- C16 H16 F6 Fe N2 O6 S4 -","- C64 H64 F24 Fe4 N8 O24 S16 -","4","1","","England, Jason; Gondhia, Reema; Bigorra-Lopez, Laura; Petersen, Allan R.; White, Andrew J. P.; Britovsek, George J. P.","Towards robust alkane oxidation catalysts: electronic variations in non-heme iron(ii) complexes and their effect in catalytic alkane oxidation","Dalton Transactions","2009","","27","5319","5334","10.1039/b901390c","","","0.71073","MoKα","","0.0644","0.0613","","","0.1454","0.1471","","","","","","1.083","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001686","20.089","0.004","6.4762","0.0013","20.3","0.004","90","","102.71","0.03","90","","2576.3","0.9","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H36 N2 Si -","- C26 H36 N2 Si -","- C104 H144 N8 Si4 -","4","1","","Kong, Lingbing; Zhang, Jianying; Song, Haibin; Cui, Chunming","N-Aryl substituted heterocyclic silylenes","Dalton Transactions","2009","","28","5444","5446","10.1039/b905905a","","","0.71073","MoKα","","0.0546","0.0489","","","0.1272","0.1315","","","","","","1.058","","","","has coordinates,has disorder","179714","2020-10-21","18:00:00",""
"7001789","20.544","0.004","20.438","0.004","20.551","0.004","90","","104.37","0.03","90","","8359","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C5 H41 Mo24 N5 O88.5 Sb4 Si2 -","- C5 H21 Mo24 N5 O88.5 Sb4 Si2 -","- C20 H84 Mo96 N20 O354 Sb16 Si8 -","4","1","","Shi, Shu-Yun; Wang, Yan; Cui, Xiao-Bing; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing","Synthesis and characterization of a novel POM compound containing two different layers stacked alternately","Dalton Transactions","2009","","31","6099","","10.1039/b906066a","","","0.71073","MoKα","","0.0672","0.0539","","","0.1675","0.1775","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002229","17.724","0.003","10.234","0.0016","17.561","0.003","90","","108.246","0.003","90","","3025.2","0.9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H64 Cl2 O6 P2 Pt2 -","- C68 H64 Cl2 O6 P2 Pt2 -","- C136 H128 Cl4 O12 P4 Pt4 -","2","0.5","","Bedford, Robin B.; Dumycz, Helena; Haddow, Mairi F.; Pilarski, Lukasz T.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.","Chiral triaryl phosphite-based palladacycles and platinacycles: synthesis and application to asymmetric Lewis acid catalysis","Dalton Transactions","2009","","37","7796","7804","10.1039/b907333g","","","0.71073","MoKα","","0.0524","0.0376","","","0.077","0.0824","","","","","","0.968","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002230","17.694","0.004","10.29","0.002","17.527","0.004","90","","108.22","0.003","90","","3031.2","1.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H64 Cl2 O6 P2 Pd2 -","- C68 H64 Cl2 O6 P2 Pd2 -","- C136 H128 Cl4 O12 P4 Pd4 -","2","0.5","","Bedford, Robin B.; Dumycz, Helena; Haddow, Mairi F.; Pilarski, Lukasz T.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.","Chiral triaryl phosphite-based palladacycles and platinacycles: synthesis and application to asymmetric Lewis acid catalysis","Dalton Transactions","2009","","37","7796","7804","10.1039/b907333g","","","0.71073","MoKα","","0.1599","0.0671","","","0.1069","0.1355","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002391","19.685","0.005","7.487","0.005","12.504","0.005","90","0.005","91.56","0.005","90","0.005","1842.2","1.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H22.5 Cu N1.5 O6 -","- C19 H22.5 Cu N1.5 O6 -","- C76 H90 Cu4 N6 O24 -","4","1","","Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P.","Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates","Dalton Transactions","2009","","39","8432","8442","10.1039/b903668g","","","0.71069","MoKα","","0.029","0.0254","","","0.0571","0.0589","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7002768","31.1328","0.0016","7.6264","0.0009","17.631","0.002","90","","124.494","0.003","90","","3450.2","0.6","291","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O17 P2 Zn3 -","- C28 H34 N2 O17 P2 Zn3 -","- C112 H136 N8 O68 P8 Zn12 -","4","1","","Liu, Xun-Gao; Huang, Jian; Bao, Song-Song; Li, Yi-Zhi; Zheng, Li-Min","Homochiral zinc phosphonates with layered and open framework structures using polycarboxylate as second linkers","Dalton Transactions","2009","","44","9837","9842","10.1039/b914583d","","","0.71073","MoKα","","0.0569","0.0494","","","0.1139","0.1159","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002770","31.147","0.004","7.6286","0.0008","17.6399","0.0019","90","","124.496","0.001","90","","3454.4","0.7","291","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O17 P2 Zn3 -","- C28 H34 N2 O17 P2 Zn3 -","- C112 H136 N8 O68 P8 Zn12 -","4","1","","Liu, Xun-Gao; Huang, Jian; Bao, Song-Song; Li, Yi-Zhi; Zheng, Li-Min","Homochiral zinc phosphonates with layered and open framework structures using polycarboxylate as second linkers","Dalton Transactions","2009","","44","9837","9842","10.1039/b914583d","","","0.71073","MoKα","","0.0605","0.0517","","","0.1191","0.1212","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003209","21.5698","0.0015","19.212","0.0013","8.8873","0.0006","90","","106.125","0.002","90","","3538","0.4","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H30 Br Cu3 N6 O2 -","- C31 H30 Br Cu3 N6 O2 -","- C124 H120 Br4 Cu12 N24 O8 -","4","1","","Fu, Da-Wei; Ye, Heng-Yun; Ye, Qiong; Pan, Ke-Ji; Xiong, Ren-Gen","Ferroelectric metal‒organic coordination polymer with a high dielectric constant","Dalton Transactions","2008","","7","874","877","10.1039/b714293e","","","0.71073","MoKα","","0.2514","0.083","","","0.1932","0.2696","","","","","","0.953","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7003210","30.762","0.01","8.711","0.003","10.642","0.003","90","","104.471","0.006","90","","2761.2","1.5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H28 Br1.5 Cu2.5 N5 O -","- C29 H28 Br1.5 Cu2.5 N5 O -","- C116 H112 Br6 Cu10 N20 O4 -","4","1","","Fu, Da-Wei; Ye, Heng-Yun; Ye, Qiong; Pan, Ke-Ji; Xiong, Ren-Gen","Ferroelectric metal‒organic coordination polymer with a high dielectric constant","Dalton Transactions","2008","","7","874","877","10.1039/b714293e","","","0.71073","MoKα","","0.0989","0.0779","","","0.1955","0.2073","","","","","","0.987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003282","30.809","0.008","18.203","0.005","16.42","0.004","90","","91.924","0.004","90","","9203","4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","07044","","","- C51 H67 F6 Ir2 N6 P -","- C51 H67 F6 Ir2 N6 P -","- C306 H402 F36 Ir12 N36 P6 -","6","1.5","","Jeon, Sang-Jin; Waymouth, Robert M.","New bimetallic complexes of late transition metals involving pyrazole-bridged bis N-heterocyclic carbene ligands","Dalton Transactions","2008","","4","437","439","10.1039/b715212d","","","0.71073","MoKα","","0.0525","0.0466","","","0.1176","0.1209","","","","","","1.036","","","","has coordinates,has disorder","179736","2020-10-21","18:00:00",""
"7003284","30.849","0.004","18.153","0.002","16.475","0.002","90","","92.222","0.002","90","","9219.1","1.9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","07066s","","","- C51 H67 F6 N6 P Rh2 -","- C51 H67 F6 N6 P Rh2 -","- C306 H402 F36 N36 P6 Rh12 -","6","1.5","","Jeon, Sang-Jin; Waymouth, Robert M.","New bimetallic complexes of late transition metals involving pyrazole-bridged bis N-heterocyclic carbene ligands","Dalton Transactions","2008","","4","437","439","10.1039/b715212d","","","0.71073","MoKα","","0.0425","0.0397","","","0.1027","0.1047","","","","","","1.026","","","","has coordinates,has disorder","179736","2020-10-21","18:00:00",""
"7003428","22.7301","0.0014","10.6279","0.0006","21.0608","0.0012","90","","115.504","0.001","90","","4592","0.5","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C40 H69 N3 P Rh Si4 Sn -","- C40 H69 N3 P Rh Si4 Sn -","- C160 H276 N12 P4 Rh4 Si16 Sn4 -","4","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","A chiral stannate as an “ansa” π-arene ligand in rhodium chemistry","Dalton Transactions","2008","","5","582","584","10.1039/b716064j","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0512","0.0522","","","","","","1.084","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003468","21.254","0.0002","9.082","0.0001","15.64","0.0002","90","","113.291","0.001","90","","2772.95","0.06","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H13 Cl2 N O -","- C15 H13 Cl2 N O -","- C120 H104 Cl16 N8 O8 -","8","2","","Chmura, Amanda J.; Cousins, David M.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Robust chiral zirconium alkoxide initiators for the room-temperature stereoselective ring-opening polymerisation of rac-lactide","Dalton Transactions","2008","","11","1437","1443","10.1039/b716304e","","","0.71073","MoKα","","0.0417","0.0339","","","0.0719","0.0749","","","","","","1.034","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003469","19.945","0.0002","9.406","0.0002","11.181","0.0002","90","","122.98","0.001","90","","1759.58","0.06","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H46 N2 O6 Ti -","- C38 H46 N2 O6 Ti -","- C76 H92 N4 O12 Ti2 -","2","0.5","","Chmura, Amanda J.; Cousins, David M.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Robust chiral zirconium alkoxide initiators for the room-temperature stereoselective ring-opening polymerisation of rac-lactide","Dalton Transactions","2008","","11","1437","1443","10.1039/b716304e","","","0.71073","MoKα","","0.043","0.0367","","","0.0876","0.0911","","","","","","1.046","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003471","18.893","0.0004","9.555","0.0002","11.131","0.0002","90","","120.844","0.001","90","","1725.2","0.06","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H46 N2 O4 Zr -","- C38 H46 N2 O4 Zr -","- C76 H92 N4 O8 Zr2 -","2","0.5","","Chmura, Amanda J.; Cousins, David M.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Robust chiral zirconium alkoxide initiators for the room-temperature stereoselective ring-opening polymerisation of rac-lactide","Dalton Transactions","2008","","11","1437","1443","10.1039/b716304e","","","0.71073","MoKα","","0.029","0.0285","","","0.0702","0.0706","","","","","","1.075","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003781","30.136","0.002","6.5916","0.0004","22.946","0.0013","90","0.005","127.764","0.008","90","0.006","3603.4","0.5","180","2","180","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C40 H36 Cl2 P2 S2 -","- C40 H36 Cl2 P2 S2 -","- C160 H144 Cl8 P8 S8 -","4","1","","Robé, Emmanuel; Perlikowska, Wieslawa; Lemoine, Céline; Diab, Lisa; Vincendeau, Sandrine; Mikolajczyk, Marian; Daran, Jean-Claude; Gouygou, Maryse","Diphosphine sulfides derived from 2,2′-biphosphole: novel chiral S,S ligands for palladium-catalyzed asymmetric allylic substitution","Dalton Transactions","2008","","21","2894","2898","10.1039/b719554k","","","0.71073","MoKα","","0.0415","0.0365","","","0.0962","0.0991","","","","","","1.069","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7004078","16.624","0.006","9.955","0.003","11.015","0.004","90","","109.167","0.0014","90","","1721.8","1","113.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H28 F10 P2 Pd -","- C40 H28 F10 P2 Pd -","- C80 H56 F20 P4 Pd2 -","2","0.5","","Koizumi, Take-aki; Yamazaki, Atsuko; Yamamoto, Takakazu","Reductive elimination of C6F5‒C6F5 in the reaction of bis(pentafluorophenyl)palladium(ii) complexes with protic acids","Dalton Transactions","2008","","30","3949","3952","10.1039/b802408a","","","0.7107","MoKα","","","0.0271","","","","0.0389","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004091","18.265","0.003","12.584","0.002","19.116","0.003","90","","102.399","0.004","90","","4291.3","1.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","(mu-oxo)-bis-(S)-histidine-bis-(2,2'-bipyrydyl)diiron(iii) diperchlorate.tetrahydrate","(mu-oxo)-bis-(S)-histidine-bis-(2,2'-bipyrydyl)diiron(III) diperchlorate.tetrahydrate","","- C32 H40 Cl2 Fe2 N10 O17 -","- C32 H32 Cl2 Fe2 N10 O17 -","- C128 H128 Cl8 Fe8 N40 O68 -","4","1","","Roy, Mithun; Bhowmick, Tuhin; Ramakumar, Suryanarayanarao; Nethaji, Munirathinam; Chakravarty, Akhil R.","Double-strand DNA cleavage from photodecarboxylation of (μ-oxo)diiron(iii) l-histidine complex in visible light","Dalton Transactions","2008","","27","3542","3545","10.1039/b802533a","","","0.71073","MoKα","","0.1849","0.1218","","","0.2509","0.2928","","","","","","1.042","","","","has coordinates","179744","2020-10-21","18:00:00",""
"7004968","27.1086","0.0004","10.4113","0.0002","17.4684","0.0003","90","","95.292","0.002","90","","4909.19","0.15","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C103 H89 F24 Fe2 N14 P4 -","- C103 H89 F24 Fe2 N14 P4 -","- C206 H178 F48 Fe4 N28 P8 -","2","0.5","","Kerckhoffs, Jessica M. C. A.; Peberdy, Jemma C.; Meistermann, Isabelle; Childs, Laura J.; Isaac, Christian J.; Pearmund, Christopher R.; Reudegger, Veronika; Khalid, Syma; Alcock, Nathaniel W.; Hannon, Michael J.; Rodger, Alison","Enantiomeric resolution of supramolecular helicates with different surface topographies.","Dalton transactions (Cambridge, England : 2003)","2007","","7","734","742","10.1039/b614093a","","","0.71073","MoKα","","0.1385","0.06","","","0.1147","0.1361","","","","","","0.89","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7006048","20.589","0.009","20.33","0.009","12.847","0.005","90","","128.122","0.006","90","","4230","3","103","2","103","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H97 Br2 N5 O24 Rh12 Sn -","- C63 H97 Br2 N5 O24 Rh12 Sn -","- C126 H194 Br4 N10 O48 Rh24 Sn2 -","2","0.5","","Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Heaton, Brian T.; Iggo, Jonathan A.","Sn-centred icosahedral Rh carbonyl clusters: synthesis and structural characterization and 13C-{103Rh} HMQC NMR studies.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3914","3923","10.1039/b708469b","","","0.71073","MoKα","","0.1439","0.0791","","","0.1655","0.1824","","","","","","0.862","","","","has coordinates,has disorder","179764","2020-10-21","18:00:00",""
"7006049","20.705","0.007","20.386","0.004","12.87","0.003","90","","128.429","0.003","90","","4255.6","1.9","103","2","103","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H97 Cl2 N5 O24 Rh12 Sn -","- C63 H97 Cl2 N5 O24 Rh12 Sn -","- C126 H194 Cl4 N10 O48 Rh24 Sn2 -","2","0.5","","Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Heaton, Brian T.; Iggo, Jonathan A.","Sn-centred icosahedral Rh carbonyl clusters: synthesis and structural characterization and 13C-{103Rh} HMQC NMR studies.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3914","3923","10.1039/b708469b","","","0.71073","MoKα","","0.0686","0.0621","","","0.1508","0.1578","","","","","","1.008","","","","has coordinates,has disorder","179764","2020-10-21","18:00:00",""
"7006369","15.966","0.001","10.407","0.001","14.099","0.001","90","","105.26","0.001","90","","2260.1","0.3","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C50 H66 O P2 -","- C50 H66 O P2 -","- C100 H132 O2 P4 -","2","0.5","","Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.","Dalton transactions (Cambridge, England : 2003)","2006","","4","594","602","10.1039/b508678g","","","0.71069","MoKα","","0.0394","0.0349","","","0.0895","0.0924","","","","","","1.056","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006859","41.862","0.004","9.2252","0.0009","22.004","0.002","90","","99.278","0.0018","90","","8386.5","1.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H15 F27 Ir N3 -","- C42 H15 F27 Ir N3 -","- C336 H120 F216 Ir8 N24 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71069","MoKα","","0.037","0.0315","","","0.0723","0.0753","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006878","26.4622","0.0009","9.184","0.0005","17.4818","0.0009","90","","122.969","0.002","90","","3564.4","0.3","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","lithium 4-cyanophenoxide pyridine","","","- C39 H33 Li2 N7 O2 -","- C39 H33 Li2 N7 O2 -","- C156 H132 Li8 N28 O8 -","4","1","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","","0.71073","MoKα","","0.1142","0.0638","","","0.1268","0.1474","","","","","","1.061","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7007035","19.799","0.004","6.8375","0.0015","12.489","0.003","90","","111.204","0.004","90","","1576.2","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H32 As2 -","- C38 H32 As2 -","- C76 H64 As4 -","2","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.052","0.0427","","","0.0981","0.1009","","","","","","0.971","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007342","18.157","0.001","11.38","0.001","8.664","0.001","90","","109.32","0.01","90","","1689.4","0.3","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H48 O12 Zr -","- C30 H48 O12 Zr -","- C60 H96 O24 Zr2 -","2","0.5","","Meyer zu Berstenhorst, Birgit; Erker, Gerhard; Kehr, Gerald; Fröhlich, Roland","Carbohydrate-metallocene conjugates: selective formation of a zirconadioxacyclopentane-type dimer from the reaction of a bis(enolate)ZrCp2 reagent with a glucofuranoside derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3200","3203","10.1039/b603803d","","","0.71073","MoKα","","0.0391","0.0357","","","0.0622","0.0639","","","","","","1.05","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007501","10.668","0.008","8.306","0.006","9.478","0.007","90","","122.187","0.002","90","","710.8","0.9","153.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H26 Cl2 Cu N4 O -","- C8 H24 Cl2 Cu N4 O -","- C16 H48 Cl4 Cu2 N8 O2 -","2","0.5","","Sah, Ajay K.; Tanase, Tomoaki","Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3742","3751","10.1039/b606485j","","","0.7107","MoKα","","","0.0752","","","","0.1484","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007523","32.153","0.001","16.217","0.001","21.2146","0.0009","90","","118.535","0.007","90","","9718.1","1","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H102 Cu N8 O22 -","- C84 H79 Cu N8 O22 -","- C336 H316 Cu4 N32 O88 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.0976","","","0.2461","0.2703","","","","","","1.04","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007524","42","0.13","12.93","0.03","19.36","0.05","90","","104.8","0.06","90","","10165","5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C83.5 H90.5 Cd Cl2 N5.5 O18.5 -","- C84 H71 Cd Cl2 N5.5 O18.5 -","- C336 H284 Cd4 Cl8 N22 O74 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1055","","","0.242","0.2625","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007525","42.576","0.001","12.605","0.001","19.2306","0.0005","90","","104.695","0.002","90","","9982.9","0.9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H90.5 Cl2 Co N7.5 O18.5 -","- C83.5 H65.5 Cl2 Co N7 O18.5 -","- C334 H262 Cl8 Co4 N28 O74 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1254","","","0.2664","0.2922","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007526","41.7484","0.0012","12.4528","0.0004","19.8531","0.0005","90","","106.09","0.002","90","","9917","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H90 Cl2 Mn N7 O18 -","- C83.5 H67 Cl2 Mn N6.5 O17 -","- C334 H268 Cl8 Mn4 N26 O68 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1362","","","0.2852","0.3294","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007740","14.635","0.003","9.2483","0.0019","16.571","0.003","90","","90.094","0.003","90","","2242.9","0.8","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C112 H96 N24 -","4","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0361","0.0313","","","0.0692","0.08","","","","","","0.987","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007778","8.1587","0.0003","18.8722","0.0011","9.007","0.0004","90","","99.071","0.003","90","","1369.49","0.11","301","2","301","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H16 Cl2 N2 O Pd -","- C11 H16 Cl2 N2 O Pd -","- C44 H64 Cl8 N8 O4 Pd4 -","4","1","","Cardile, Steven A.; Jennings, Michael C.; Jones, Nathan D.","Pyridinyloxazolidines: versatile scaffolds for chiral catalyst construction.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4672","4678","10.1039/b610079a","","","0.71073","MoKα","","0.0274","0.025","","","0.0555","0.0565","","","","","","1.045","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007920","32.44","0.003","8.3708","0.0003","15.9783","0.0013","90","","102.689","0.003","90","","4232.9","0.5","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H34 S Ti -","- C22 H34 S Ti -","- C176 H272 S8 Ti8 -","8","2","","Manz, Thomas A.; Fenwick, Andrew E.; Phomphrai, Khamphee; Rothwell, Ian P.; Thomson, Kendall T.","The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation.","Dalton transactions (Cambridge, England : 2003)","2005","","4","668","674","10.1039/b412455c","","","0.71073","MO-Kα","","0.098","0.077","","","0.187","0.204","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008103","13.2627","0.001","11.8214","0.0009","13.7098","0.0013","90","","92.933","0.01","90","","2146.7","0.3","122.4","0.5","","","","","","","","","Local laboratory","7","C 1 2 1","C 2y","5","s-(Co(tren-bngly)ZnCl3)2 ZnCl4","","","- C24 H56 Cl10 Co2 N10 O4 Zn3 -","- C12 H28 Cl5 Co N5 O2 Zn1.5 -","- C48 H112 Cl20 Co4 N20 O8 Zn6 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0256","0.0215","","","0.0681","0.0751","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008856","25.424","0.003","9.7274","0.0013","7.6253","0.001","90","","95.731","0.002","90","","1876.4","0.4","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H22 N2 O10 S Zn -","- C12 H22 N2 O10 S Zn -","- C48 H88 N8 O40 S4 Zn4 -","4","1","","Yong Lee, Jun; Jin Hong, Sung; Kim, Cheal; Kim, Youngmee","Construction of an interpenetrated 3-D network by [2 + 2] cycloaddition of Zn(ClO4)2 and 1,2-trans-(4-pyridyl)ethene: counter anion effects","Dalton Transactions","2005","","23","3716","","10.1039/b511520e","","","0.71073","MoKα","","0.0479","0.0417","","","0.094","0.0958","","","","","","0.965","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7009186","24.641","0.007","12.669","0.002","8.39","0.003","90","","95.59","0.03","90","","2606.7","1.3","203","2","203","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H58 Ag2 F12 N6 O2 P2 -","- C52 H58 Ag2 F12 N6 O2 P2 -","- C104 H116 Ag4 F24 N12 O4 P4 -","2","0.5","","Baum, Gerhard; Constable, Edwin C.; Fenske, Dieter; Housecroft, Catherine E.; Kulke, Torsten; Neuburger, Markus; Zehnder, Margareta","Regio- and diastereo-selective formation of dicopper(I) and disilver(I) double helicates with chiral 6-substituted 2,2'∶6',2″-terpyridines","Journal of the Chemical Society, Dalton Transactions","2000","","6","945","","10.1039/a909158k","","","0.71073","MoKa","","0.0257","0.0253","","0.0702","0.0687","","","","1.065","1.048","1.048","","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7009381","24.94","0.002","9.7718","0.0008","10.1941","0.0006","90","","109.64","0.005","90","","2339.9","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H70 Co2 Gd2 N4 O34 -","- C28 H36 Co2 Gd2 N4 O34 -","- C56 H72 Co4 Gd4 N8 O68 -","2","0.5","","Ma, Bao-Qing; Gao, Song; Bai, Ou; Sun, Hao-Ling; Xu, Guang-Xian","Synthesis and structure of an unprecedented heterometallic tetranuclear cluster [Gd2Co2(μ4-O)(μ-H2O)(CDTA)2(H2O)6]·10H2O (H4CDTA = trans-1,2-cyclohexanedinitrilotetraacetic acid)","Journal of the Chemical Society, Dalton Transactions","2000","","7","1003","","10.1039/b000490l","","","0.71073","MoKα","","0.0808","0.0712","","","0.1821","0.1932","","","","","","1.173","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009605","22.92","0.008","6.3651","0.0007","10.488","0.004","90","","101.655","0.016","90","","1498.5","0.8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","(2-forylimidazole thiosemicarbazonato)dimethyltin(IV) ethanol solvate","","- C9 H17 N5 O S Sn -","- C9 H17 N5 O S Sn -","- C36 H68 N20 O4 S4 Sn4 -","4","1","","Casas, José S.; Castiñeiras, Alfonso; Rodríguez-Argüelles, María C.; Sánchez, Agustín; Sordo, José; Vázquez-López, Antonia; Vázquez-López, Ezequiel M.","Diorganotin(IV) complexes of imidazole-2-carbaldehyde thiosemicarbazone (H2ImTSC). The crystal and molecular structures of the “free” ligand and of [SnMe2(ImTSC)]","Journal of the Chemical Society, Dalton Transactions","2000","","14","2267","","10.1039/b002286l","","","0.71073","MoKα","","0.0422","0.0395","","","0.104","0.1064","","","","","","1.156","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009881","18.458","0.008","13.614","0.004","40.599","0.01","90","","98.98","0.03","90","","10077","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H88 N10 Zn2 -","- C98 H64 N10 Zn2 -","- C392 H256 N40 Zn8 -","4","1","","Shukla, Atindra D.; Dave, Paresh C.; Suresh, Eringathodi; Das, Amitava; Dastidar, Parthasarathi","Multicomponent Zn-tetraphenylporphyrins: syntheses, characterization and their self assembly in the solid state","Journal of the Chemical Society, Dalton Transactions","2000","","23","4459","","10.1039/b004211k","","","0.7093","MoK/a","","0.147","0.0749","","","0.2133","0.2364","","","","","","1.179","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009882","18.52","0.03","13.474","0.011","40.29","0.011","90","","99.76","0.06","90","","9908","18","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H79 N13 O6 Zn2 -","- C98 H64 N10 Zn2 -","- C392 H256 N40 Zn8 -","4","1","","Shukla, Atindra D.; Dave, Paresh C.; Suresh, Eringathodi; Das, Amitava; Dastidar, Parthasarathi","Multicomponent Zn-tetraphenylporphyrins: syntheses, characterization and their self assembly in the solid state","Journal of the Chemical Society, Dalton Transactions","2000","","23","4459","","10.1039/b004211k","","","0.7093","MoK/a","","0.1143","0.0799","","","0.2256","0.24","","","","","","1.577","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009963","21.562","0.001","13.501","0.001","15.041","0.001","90","","122.07","0.01","90","","3710.4","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32.5 H47 K2 N2 O17 -","- C32.5 H47 K2 N2 O17 -","- C130 H188 K8 N8 O68 -","4","1","","Sah, Ajay K.; Rao, Chebrolu P.; Saarenketo, Pauli K.; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","N-Glycosylamines of 4,6-O-ethylidene-α-D-glucopyranose: synthesis, characterisation and structure of CO2H, Cl and F ortho-substituted phenyl derivatives and metal ion complexes of the CO2H derivative†","Journal of the Chemical Society, Dalton Transactions","2000","","20","3681","","10.1039/b004854m","","","0.71073","MoKα","","0.0439","0.0374","","0.0983","0.0943","","","","1.106","1.114","1.114","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010361","15.9544","0.0015","31.8046","0.0015","11.0466","0.0012","90","","95.916","0.006","90","","5575.4","0.8","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H36 N O P Pd -","- C31 H36 N O P Pd -","- C248 H288 N8 O8 P8 Pd8 -","8","2","","Mattheis, Chris; Braunstein, Pierre; Fischer, Axel","A new chiral metalladiphosphine for early‒late chemistry. Crystal structure of a D-camphor-based zirconium enolato phosphine and rearrangement of heterobimetallic Zr/Pd complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","800","","10.1039/b008227i","","","0.71073","MoKα","","0.0715","0.0383","","","0.0669","0.0775","","","","","","1","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010833","13.928","0.002","10.9494","0.0019","10.2078","0.0018","90","","118.246","0.003","90","","1371.4","0.4","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cl4 N2 O2 Zn -","- C30 H24 Cl4 N2 O2 Zn -","- C60 H48 Cl8 N4 O4 Zn2 -","2","0.5","","Cara Evans; Dominique Luneau","New Schiff base zinc(II) complexes exhibiting second harmonic generation","J. Chem. Soc., Dalton Trans.","2002","","1","83","86","10.1039/b104360a","","","0.71073","MoKα","","0.0892","0.0859","","","0.1993","0.2006","","","","","","1.514","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010834","17.5693","0.0017","8.758","0.0008","11.9812","0.0011","90","","130.283","0.001","90","","1406.4","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H32 N2 O4 Zn -","- C32 H32 N2 O4 Zn -","- C64 H64 N4 O8 Zn2 -","2","0.5","","Cara Evans; Dominique Luneau","New Schiff base zinc(II) complexes exhibiting second harmonic generation","J. Chem. Soc., Dalton Trans.","2002","","1","83","86","10.1039/b104360a","","","0.71073","MoKα","","0.0348","0.0312","","","0.081","0.0835","","","","","","0.657","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7011121","18.223","0.002","15.8148","0.0018","11.7534","0.0004","90","","123.956","0.001","90","","2809.6","0.5","150.2","","150.2","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C44 H100 Si9 -","- C44.0288 H100.072 Si9.0072 -","- C88.0576 H200.144 Si18.0144 -","2","0.5","","Mitsuo Kira; Takeaki Iwamoto; Toyotaro Maruyama; Tsuyoshi Kuzuguchi; Dongzhu Yin; Chizuko Kabuto; Hideki Sakurai","Hexakis(trialkylsilyl)cyclotrisilanes and photochemical generation of bis(trialkylsilyl)silylenes","J. Chem. Soc., Dalton Trans.","2002","","7","1539","1544","10.1039/b107905k","","","0.7107","MoKα","","0.0448","0.0372","","","0.0939","0.0978","","","","","","1.083","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011167","13.7781","0.0011","12.8683","0.0015","6.2537","0.0013","90","","95.229","0.011","90","","1104.2","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 N4 O2 Pt -","- C26 H22 N4 O2 Pt -","- C52 H44 N8 O4 Pt2 -","2","0.5","","Junyong Zhang; Qin Liu; Chunying Duan; Ying Shao; Jian Ding; Zehong Miao; Xiao-Zeng You; Zijian Guo","Structural evidence for the facile chelate-ring opening reactions of novel platinum(II)‒pyridine carboxamide complexes","J. Chem. Soc., Dalton Trans.","2002","","4","591","597","10.1039/b108378n","","","0.71073","MoKα","","0.06","0.0599","","","0.142","0.1427","","","","","","1.149","","","","has coordinates","179815","2020-10-21","18:00:00",""
"7011220","21.413","0.003","9.5311","0.0015","26.95","0.005","90","","110.207","0.004","90","","5161.7","1.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C97 H110 Ag3 Cl5 N8 O12 P4 -","- C97 H110 Ag3 Cl5 N8 O12 P4 -","- C194 H220 Ag6 Cl10 N16 O24 P8 -","2","0.5","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","Synthesis and structural study of late transition metal complexes of N-[(diphenylphosphino)methyl]-2-pyridinamine and N-cyclohexyl-N-[(diphenylphosphino)methyl]-2-pyridinamine","J. Chem. Soc., Dalton Trans.","2002","","7","1336","1343","10.1039/b109191n","","","0.71073","MoKα","","0.118","0.0768","","","0.1781","0.2047","","","","","","0.952","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011307","9.282","0.001","9.421","0.003","6.593","0.009","90","","134.83","0.09","90","","408.9","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Cd Na2 S4 Sn -","- Cd Na2 S4 Sn -","- Cd2 Na4 S8 Sn2 -","2","0.5","","Devi, M. Suseela; Vidyasagar, K.","First examples of sulfides in the quaternary A/Cd/Sn/S (A = Li, Na) systems: molten flux synthesis and single crystal X-ray structures of Li2CdSnS4, Na2CdSnS4 and Na6CdSn4S12","Journal of the Chemical Society, Dalton Transactions","2002","","9","2092","","10.1039/b110254k","","","0.71073","MoKα","","0.0621","0.0588","","0.1532","0.1437","","","","1.158","1.135","1.135","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011710","23.7683","0.0018","11.3948","0.0007","16.5706","0.0012","90","","93.839","0.009","90","","4477.8","0.5","293","","","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(S,S)-1,2-bis(1methyl-benzimidazol-2-yl)-1,2-ethanediol] copper(II) diperchlorate,","","- C37 H43 Cl2 Cu N8 O14.5 -","- C37 H32 Cl2 Cu N8 O14.5 -","- C148 H128 Cl8 Cu4 N32 O58 -","4","1","","Katharina Isele; Vanessa Broughton; Craig J. Matthews; Alan F. Williams; Gérald Bernardinelli; Patrick Franz; Silvio Decurtins","1,2-Bis(2-benzimidazolyl)-1,2-ethanediol, a chiral, tridentate, facially coordinating ligand","J. Chem. Soc., Dalton Trans.","2002","","20","3899","3905","10.1039/b203229e","","","0.71073","MoKα","","","0.066","","","","0.076","","","","","","2.712","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012137","28.975","0.005","10.987","0.002","25.727","0.004","90","","102.266","0.014","90","","8003","2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","[Ni3Cl4(OH)9tmeda)3][Ni3Cl4(OMe)(tmeda)3][NiCl3(tmeda)}2","","","- C41 H116 Cl14 N16 Ni8 O2 -","- C41 H115 Cl14.234 N16 Ni8 O1.766 -","- C164 H460 Cl56.936 N64 Ni32 O7.064 -","4","1","","Hitchcock, Peter B.; Handley, Darren A.; Huei Lee, Ting; Jeffery Leigh, G.","Anomalous reactions of the diamine Me2NCH2NMe2 with nickel(ii) and cobalt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","24","4720","","10.1039/b207818j","","","0.71073","MoKα","","0.0667","0.0503","","","0.1136","0.1229","","","","","","1.063","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012212","24.686","0.002","10.4701","0.0008","24.507","0.002","90","","114.146","0.002","90","","5780","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H57 Cl6 Cu2 N8 O24.5 -","- C42 H46 Cl6 Cu2 N8 O24.5 -","- C168 H184 Cl24 Cu8 N32 O98 -","4","1","","Schatz, Markus; Leibold, Michael; Foxon, Simon P.; Weitzer, Markus; Heinemann, Frank W.; Hampel, Frank; Walter, Olaf; Schindler, Siegfried","Syntheses and characterization of copper complexes of the ligand (2-aminoethyl)bis(2-pyridylmethyl)amine (uns-penp) and derivatives","Dalton Transactions","2003","","8","1480","","10.1039/b208740e","","","0.71073","MoKα","","0.0526","0.0477","","","0.1304","0.1328","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012222","14.4363","0.0009","20.2358","0.0008","20.0112","0.0014","90","","110.184","0.008","90","","5486.9","0.6","200","","","","","","","","","","","6","C 1 2 1","C 2y","5","","tris(5,5'-di(methyl-N-valine)-2,2'-bipyridyl)cobalt(III)dichloride heptaperchlorate dodecahydrate diethanol","","- C70 H132 Cl9 Co N12 O54 -","- C70 H96 Cl9 Co N12 O54 -","- C140 H192 Cl18 Co2 N24 O108 -","2","0.5","","Telfer, Shane G.; Bernardinelli, Gérald; Williams, Alan F.","Iron and cobalt complexes of 5,5'-di(methylene-N-aminoacidyl)-2,2'-bipyridyl ligands: ligand design for diastereoselectivity and anion bindingElectronic supplementary information (ESI) available: 1H NMR spectrum of [Co(1)3]3+ as a function of pH; 2D NOESY 1H NMR spectrum of [Co(1)3Cl2]+; 2D ROESY 1H NMR spectrum of [Co(1)3]3+. See http://www.rsc.org/suppdata/dt/b2/b208934c/","Dalton Transactions","2003","","3","435","","10.1039/b208934c","","","0.71073","MoKα","","","0.051","","","","0.057","","","","","","2.39","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012468","7.585","0.003","5.9843","0.0014","6.253","0.002","90","","108.51","0.03","90","","269.15","0.16","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C4 H4 O4 Zn -","- C4 H4 O4 Zn -","- C8 H8 O8 Zn2 -","2","0.5","","Bowden, Thomas A.; Milton, Heather L.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Hydrothermal syntheses and crystal structures of three zinc succinates: Zn(C4H4O4)-α, Zn(C4H4O4)-β and K2Zn(C4H4O4)2","Dalton Transactions","2003","","5","936","","10.1039/b211181k","","","0.71073","MoKα","","0.024","0.0237","","","0.0622","0.0624","","","","","","1.119","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012601","18.16","0.004","7.179","0.001","13.001","0.003","90","","95.22","0.03","90","","1687.9","0.6","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H36 N9 P3 -","- C36 H36 N9 P3 -","- C72 H72 N18 P6 -","2","0.5","","Bickley, Jamie F.; Bonar-Law, Richard; Lawson, Gavin T.; Richards, Philip I.; Rivals, Frederic; Steiner, Alexander; Zacchini, Stefano","Supramolecular variations on a molecular theme: the structural diversity of phosphazenes (RNH)6P3N3 in the solid state","Dalton Transactions","2003","","7","1235","","10.1039/b212308h","","","0.71073","MoKα","","0.0848","0.0337","","","0.0566","0.07","","","","","","0.634","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012664","27.604","0.002","12.7559","0.0007","11.5492","0.001","90","","100.591","0.003","90","","3997.4","0.5","173","","173","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H39 Cl4 N O2 Si2 Ta -","- C31 H36 Cl4 N O2 Si2 Ta -","- C124 H144 Cl16 N4 O8 Si8 Ta4 -","4","1","","Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/","Dalton Transactions","2003","","8","1620","","10.1039/b212910h","","","0.71073","MO-Kα","","","0.054","","","","0.13","","","","","","1.042","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012739","13.7324","0.0008","10.0394","0.0005","14.6404","0.0008","90","","95.122","0.001","90","","2010.34","0.19","295","2","295","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C10 H23 Cl2 Cu N O9 S3 -","- C10 H23 Cl2 Cu N O9 S3 -","- C40 H92 Cl8 Cu4 N4 O36 S12 -","4","1","","Galijasevic, Semira; Krylova, Ksenia; Koenigbauer, Michael J.; Jaeger, Gregory S.; Bushendorf, Jeffery D.; Heeg, Mary Jane; Ochrymowycz, Leo A.; Taschner, Michael J.; Rorabacher, David B.","Chelate ring sequence effects on thermodynamic, kinetic and electron-transfer properties of copper(ii/i) systems involving macrocyclic ligands with S4 and NS3 donor setsElectronic supplementary information (ESI) available: Tables S1‒14: tabulations of experimental rate constants. See http://www.rsc.org/suppdata/dt/b3/b300602f/","Dalton Transactions","2003","","8","1577","","10.1039/b300602f","","","0.71073","MoKα","","0.0424","0.0407","","","0.1096","0.1116","","","","","","1.032","","","","has coordinates,has disorder","179831","2020-10-21","18:00:00",""
"7012742","23.052","0.012","5.472","0.003","22.567","0.012","90","","100.552","0.01","90","","2798","3","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H36 N2 P2 -","- C32 H36 N2 P2 -","- C128 H144 N8 P8 -","4","1","","Andrey A. Karasik; Roman N. Naumov; Oleg G. Sinyashin; Gennadii P. Belov; Helena V. Novikova; Peter Lönnecke; Evamarie Hey-Hawkins","Novel chiral 1,5-diaza-3,7-diphosphacyclooctane ligands and their transition metal complexes","Dalton Trans.","2003","","11","2209","2214","10.1039/b300754e","","","0.71073","MoKα","","0.1378","0.0718","","","0.1428","0.1758","","","","","","1.018","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013174","37.149","0.003","15.8661","0.0012","17.1491","0.0014","90","","92.435","0.002","90","","10098.7","1.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Ni3(dpa)4(CCPh)2,0.3methanol","","","- C56.3 H43.2 N12 Ni3 O0.3 -","- C56.3 H43.2 N12 Ni3 O0.3 -","- C450.4 H345.6 N96 Ni24 O2.4 -","8","2","","Berry, John F.; Albert Cotton, F.; Murillo, Carlos A.","Making connections with molecular wires: extending tri-nickel chains with axial cyanide, dicyanamide, and phenylacetylide ligands","Dalton Transactions","2003","","15","3015","3021","10.1039/b305258c","","","0.71073","MoKα","","0.07","0.0465","","","0.1047","0.1164","","","","","","1.022","","","","has coordinates,has disorder","275113","2022-05-06","15:42:26",""
"7013419","26.745","0.001","5.7751","0.0003","9.266","0.0005","90","","107.948","0.001","90","","1361.53","0.11","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H8 Au N3 S2 -","- C13 H8 Au N3 S2 -","- C52 H32 Au4 N12 S8 -","4","1","","Fan, Daming; Yang, Chang-Tong; Ranford, John D.; Vittal, Jagadese J.; Foo Lee, Peng","Synthesis, characterization, and biological activities of 2-phenylpyridine gold(iii) complexes with thiolate ligandsElectronic supplementary information (ESI) available: ESMS data. See http://www.rsc.org/suppdata/dt/b3/b307610e/","Dalton Transactions","2003","","17","3376","","10.1039/b307610e","","","0.71073","MoKα","","0.0489","0.0394","","","0.0789","0.0816","","","","","","0.933","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013844","36.198","0.01","7.075","0.002","24.157","0.007","90","","119.867","0.005","90","","5365","3","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","N,N-bis(2-pyridylmethyl)-beta-alaninate-oxo-peroxovanadate 2[VO(O2)Hbpa].[VO(O2)bpa].2ClO4.2.25H2O","","- C45 H54.5 Cl2 N9 O25.25 V3 -","- C45 H54.5 Cl2 N9 O25.25 V3 -","- C180 H218 Cl8 N36 O101 V12 -","4","1","","Casny, Marian; Rehder, Dieter","Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets","Dalton transactions (Cambridge, England : 2003)","2004","","5","839","846","10.1039/b315291j","","","0.71073","MoKα","","0.0556","0.0446","","","0.0737","0.0774","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013853","17.502","0.012","17.831","0.013","13.25","0.009","90","","106.446","0.012","90","","3966","5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H40 Ag2 B2 F8 N4 S4 -","- C32 H40 Ag2 B2 F8 N4 S4 -","- C128 H160 Ag8 B8 F32 N16 S16 -","4","1","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.1473","0.073","","","0.1974","0.2508","","","","","","1.022","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7014812","15.868","0.0008","10.5601","0.0004","15.6312","0.0007","90","","109.222","0.005","90","","2473.3","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H46 Co N6 O4 S4 -","- C52 H46 Co N6 O4 S4 -","- C104 H92 Co2 N12 O8 S8 -","2","0.5","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0658","0.0405","","","0.066","0.0695","","","","","","0.888","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014880","24.254","0.005","21.75","0.003","21.964","0.004","90","","115.942","0.004","90","","10419","3","113","2","113","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H96 N6 O4 V2 -","- C84 H96 N6 O4 V2 -","- C336 H384 N24 O16 V8 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","1.54187","CuKα","","0.0404","0.0358","","","0.0853","0.0885","","","","","","0.995","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014886","17.0744","0.0009","10.7322","0.0006","19.3548","0.001","90","","107.654","0.001","90","","3379.7","0.3","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33.5 H54.5 N4 O4 Zn -","- C33.5 H54 N4 O4 Zn -","- C134 H216 N16 O16 Zn4 -","4","1","","Le Roux, Erwan; Merle, Nicolas; Törnroos, Karl W","Synthesis and characterisation of trigonal C(2)-chiral di- and tetra-substituted bis(oxazoline) alkyl zinc complexes and their reactivity towards protic reagents.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1768","1777","10.1039/c0dt01252a","","","0.71073","MoKα","","0.0206","0.0203","","","0.0548","0.055","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014999","23.756","0.004","14.302","0.002","12.3243","0.0019","90","","92.207","0.002","90","","4184.2","1.1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- B6 H35 Mn3 N6 O43 P9 -","- B6 H3 Mn3 N6 O43 P9 -","- B24 H12 Mn12 N24 O172 P36 -","4","1","","Yang, Weiting; Li, Jiyang; Na, Tianyi; Xu, Jin; Wang, Lei; Yu, Jihong; Xu, Ruren","(NH4)6[Mn3B6P9O36(OH)3]·4H2O: A new open-framework manganese borophosphate synthesized by using boric acid flux method","Dalton Transactions","2011","40","11","2549","","10.1039/c0dt01475c","","","0.71073","MoKα","","0.0625","0.0588","","","0.1583","0.1625","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015156","16.0268","0.0009","5.0807","0.0004","14.6896","0.0011","90","","113.493","0.003","90","","1096.99","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H24 N6 Ni S4 -","- C18 H24 N6 Ni S4 -","- C36 H48 N12 Ni2 S8 -","2","0.5","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0501","0.0373","","","0.0689","0.0734","","","","","","1.025","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015403","18.24","0.004","8.0358","0.0016","19.188","0.004","90","","109.06","0.03","90","","2658.3","1.1","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H44 B F4 P2 Rh -","- C24 H44 B F4 P2 Rh -","- C96 H176 B4 F16 P8 Rh4 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0376","0.0351","","","0.0957","0.0967","","","","","","0.976","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015408","18.684","0.002","7.6055","0.0006","17.408","0.002","90","","92.781","0.009","90","","2470.8","0.4","200","2","200","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H40 B F4 P2 Rh -","- C20 H40 B F4 P2 Rh -","- C80 H160 B4 F16 P8 Rh4 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0658","0.0491","","","0.1108","0.1151","","","","","","1.082","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015681","35.2478","0.0014","8.9626","0.0004","24.94","0.001","90","","134.205","0.001","90","","5647.9","0.4","100","2","100","2","","","","","","","synthesis as described","7","C 1 2 1","C 2y","5","","","","- C54 H72 F12 N2 O4 P2 Ru2 -","- C54 H72 F12 N2 O4 P2 Ru2 -","- C216 H288 F48 N8 O16 P8 Ru8 -","4","1","","Sahli, Zeyneb; Derrien, Nolwenn; Pascal, Simon; Demerseman, Bernard; Roisnel, Thierry; Barrière, Frédéric; Achard, Mathieu; Bruneau, Christian","Preparation of chiral ruthenium(iv) complexes and applications in regio- and enantioselective allylation of phenols.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5625","5630","10.1039/c0dt01812k","","x-ray","0.71073","MoKα","","0.0455","0.0427","","","0.1076","0.1091","","","","","","1.04","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015730","25.4805","0.0012","7.7565","0.0005","17.8684","0.0007","90","","133.701","0.003","90","","2553.1","0.3","150","2","150","2","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- C27 H36 N6 -","- C27 H36 N6 -","- C108 H144 N24 -","4","1","","Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai","Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6547","6554","10.1039/c1dt10032g","","x-ray","0.71073","MoKα","","0.0541","0.0423","","","0.1074","0.1141","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015731","26.0261","0.0006","7.922","0.0002","16.4224","0.0005","90","","127.099","0.004","90","","2700.62","0.19","220","2","220","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H38 N4 O S -","- C28 H38 N4 O S -","- C112 H152 N16 O4 S4 -","4","1","","Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai","Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6547","6554","10.1039/c1dt10032g","","","0.71073","MoKα","","0.0582","0.0439","","","0.101","0.1091","","","","","","1.032","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7016181","13.7219","0.0017","14.5742","0.0017","18.219","0.002","90","","94.145","0.005","90","","3634","0.7","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H32 F6 Fe N4 O6 S2 -","- C32 H32 F6 Fe N4 O6 S2 -","- C128 H128 F24 Fe4 N16 O24 S8 -","4","1","","Shejwalkar, Pushkar; Rath, Nigam P.; Bauer, Eike B.","New iron(ii) α-iminopyridine complexes and their catalytic activity in the oxidation of activated methylene groups and secondary alcohols to ketones.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7617","7631","10.1039/c1dt10387c","","","0.71073","MoKα","","0.1038","0.0711","","","0.1717","0.1962","","","","","","1.02","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016365","28.671","0.006","9.971","0.002","10.646","0.002","90","","100","0.03","90","","2997.2","1.1","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H37 Cl N4 Ni -","- C32 H37 Cl N4 Ni -","- C128 H148 Cl4 N16 Ni4 -","4","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","0.71073","MoKα","","0.0632","0.0486","","","0.1143","0.1271","","","","","","1.039","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016387","29.464","0.003","9.6174","0.0009","22.049","0.002","90","","132.779","0.003","90","","4585.9","0.8","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C100 H104 Cl2 O6 P2 Pd2 Si4 -","- C100 H104 Cl2 O6 P2 Pd2 Si4 -","- C200 H208 Cl4 O12 P4 Pd4 Si8 -","2","0.5","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","1.54178","CuKα","","0.0316","0.0287","","","0.0654","0.0665","","","","","","1.003","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016389","27.163","0.0004","14.38","0.0002","14.1182","0.0002","90","","105.286","0.001","90","","5319.53","0.13","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C46 H64 Cl2 N O4 P Pd Si2 -","- C46 H64 Cl2 N O4 P Pd Si2 -","- C184 H256 Cl8 N4 O16 P4 Pd4 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","0.71073","MoKα","","0.037","0.0321","","","0.0725","0.0745","","","","","","1.021","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016485","22.851","0.0003","8.5199","0.0001","5.1848","0.0001","90","","99.495","0.001","90","","995.59","0.03","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H10 O4 P Pb0.5 -","- C9 H10 O4 P Pb0.5 -","- C36 H40 O16 P4 Pb2 -","4","1","","Sun, Yu-Hui; Xu, Xiang; Du, Zi-Yi; Dong, Li-Jie; Zhao, Cui-Cui; Xie, Yong-Rong","Novel second-harmonic-generation-active lead(ii) phosphinate based on 2-carboxyethyl(phenyl)phosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9295","9298","10.1039/c1dt10643k","","","0.71073","MoKα","","0.028","0.028","","","0.0706","0.0706","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016486","22.8521","0.0003","8.5194","0.0001","5.1872","0.0001","90","","99.483","0.001","90","","996.08","0.03","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H10 O4 P Pb0.5 -","- C9 H10 O4 P Pb0.5 -","- C36 H40 O16 P4 Pb2 -","4","1","","Sun, Yu-Hui; Xu, Xiang; Du, Zi-Yi; Dong, Li-Jie; Zhao, Cui-Cui; Xie, Yong-Rong","Novel second-harmonic-generation-active lead(ii) phosphinate based on 2-carboxyethyl(phenyl)phosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9295","9298","10.1039/c1dt10643k","","","0.71073","MoKα","","0.0163","0.0163","","","0.0384","0.0384","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016607","31.983","0.002","20.9749","0.0014","35.38","0.002","90","","92.042","0.002","90","","23719","3","223","2","223","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C286 H275 In40 N59 Ni7 O11 S74 -","- C234 H198 In40 N48 Ni7 O2 S74 -","- C468 H396 In80 N96 Ni14 O4 S148 -","2","0.5","","Zhang, Ya-Ping; Zhang, Xu; Mu, Wen-Qin; Luo, Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Indium sulfide clusters integrated with 2,2'-bipyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9746","9751","10.1039/c1dt10153f","","","0.71075","MoKα","","0.1152","0.0832","","","0.1285","0.1436","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016961","28.281","0.008","17.947","0.006","23.917","0.01","90","","96.866","0.006","90","","12052","7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H76 Mn3 Mo12 N6 O51 P -","- C63 H68.5 Mn3 Mo12 N6 O51 P -","- C252 H274 Mn12 Mo48 N24 O204 P4 -","4","1","","Meng, Xing; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min; Li, Bo; Yang, Qi-Hua","Chiral salen-metal derivatives of polyoxometalates with asymmetric catalytic and photocatalytic activities.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","9964","9966","10.1039/c1dt11227a","","","0.71073","MoKα","","0.1706","0.0804","","","0.2004","0.249","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016962","27.671","0.005","17.834","0.005","23.899","0.005","90","","95.821","0.005","90","","11733","5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H76 Mn3 N6 O51 P W12 -","- C63 H75 Mn3 N6 O51 P W12 -","- C252 H300 Mn12 N24 O204 P4 W48 -","4","1","","Meng, Xing; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min; Li, Bo; Yang, Qi-Hua","Chiral salen-metal derivatives of polyoxometalates with asymmetric catalytic and photocatalytic activities.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","9964","9966","10.1039/c1dt11227a","","","0.71069","MoKα","","0.154","0.0742","","","0.1826","0.2276","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016986","21.501","0.003","14.5812","0.0019","26.604","0.003","90","","103.057","0.002","90","","8125","1.8","173","","175","","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H91 B2 Co2 F8 N6 O18.5 P6 Ru2 -","- C56 H91 B2 Co2 F8 N6 O18.5 P6 Ru2 -","- C224 H364 B8 Co8 F32 N24 O74 P24 Ru8 -","4","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","0.71073","MoKα","","0.0898","0.0541","","","0.0971","0.105","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016987","21.501","0.003","14.5812","0.0019","26.604","0.003","90","","103.057","0.002","90","","8125","1.8","175","","175","","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H91 B2 Co2 F8 N6 O18.5 P6 Ru2 -","- C56 H51 B1.5 Co2 F8 N6 O18.5 P6 Ru2 -","- C224 H204 B6 Co8 F32 N24 O74 P24 Ru8 -","4","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","0.71073","MoKα","","0.0904","0.0549","","","0.1054","0.1144","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017022","23.01","0.01","7.611","0.003","25.273","0.011","90","","105.25","0.05","90","","4270","3","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H27.5 Cu N2 O3.75 -","- C25 H24.5 Cu N2 O3.75 -","- C200 H196 Cu8 N16 O30 -","8","2","","Barwiolek, Magdalena; Szlyk, Edward; Muzioł, Tadeusz M; Lis, Tadeusz","Structural and luminescence studies of nickel(ii) and copper(ii) complexes with (1R,2R)-cyclohexanediamine derived unsymmetric Schiff base.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11012","11022","10.1039/c1dt10882d","","","0.71073","MoKα","","0.1857","0.076","","","0.1001","0.1116","","","","","","0.946","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017088","22.194","0.002","11.4347","0.0012","11.716","0.0012","90","","94.703","0.002","90","","2963.3","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23.05 H25.78 F6 N3.68 O9.68 Pr -","- C23.0505 H25.608 F6 N3.6835 O9.6835 Pr -","- C92.202 H102.432 F24 N14.734 O38.734 Pr4 -","4","1","","Mikhalyova, Elena A.; Kolotilov, Sergey V.; Zeller, Matthias; Thompson, Laurence K.; Addison, Anthony W.; Pavlishchuk, Vitaly V.; Hunter, Allen D.","Synthesis, structure and magnetic properties of Nd(3+) and Pr(3+) 2D polymers with tetrafluoro-p-phthalate.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10989","10996","10.1039/c1dt11237f","","","0.71073","MoKα","","0.035","0.0344","","","0.0935","0.094","","","","","","1.133","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7018264","19.281","0.006","16.711","0.005","7.302","0.002","90","","110.917","0.004","90","","2197.7","1.1","296","","296","","","","","","","","","6","C 1 2 1","C 2y","5","Porphycene","","","- C42 H54 Cl Fe N6 O4 -","- C42 H54 Cl Fe N6 O4 -","- C84 H108 Cl2 Fe2 N12 O8 -","2","0.5","","Ohgo, Yoshiki; Neya, Saburo; Hashizume, Daisuke; Ozeki, Tomoji; Nakamura, Mikio","Unusual electronic structure of bis-isocyanide complexes of iron(iii) porphyrinoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3126","3129","10.1039/c2dt12249a","","","0.71073","MoKα","","0.0568","0.0487","","","0.1318","0.142","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018693","28.939","0.015","7.388","0.003","17.88","0.009","90","","107.998","0.005","90","","3636","3","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28.5 H32 Cl2 Cu2 N6 O17.5 -","- C28.5 H30 Cl2 Cu2 N6 O17.5 -","- C114 H120 Cl8 Cu8 N24 O70 -","4","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71075","MoKα","","0.0683","0.0611","","","0.1577","0.1653","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018871","9.5172","0.0001","10.0418","0.0001","7.5621","0.0001","90","","93.984","0.001","90","","720.962","0.014","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C8 H18 Cu2 N2 O12 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.71073","MoKα","","0.0254","0.0223","","0.0513","0.0498","0.0513","","","","","","0.9748","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018872","9.4817","0.0003","10.0118","0.0003","7.5433","0.0007","90","","93.856","0.004","90","","714.46","0.07","293","","293","","","","300000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0397","0.0319","","0.0873","0.07","0.0873","","","","","","0.9221","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018873","9.3964","0.0003","9.9334","0.0004","7.5076","0.0009","90","","93.536","0.006","90","","699.41","0.09","293","","293","","","","850000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0417","0.0266","","0.0565","0.0514","0.0565","","","","","","0.8356","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018874","9.2843","0.0003","9.8358","0.0004","7.4532","0.0007","90","","93.071","0.005","90","","679.64","0.07","293","","293","","","","1840000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0407","0.0305","","0.0676","0.0596","0.0676","","","","","","0.9613","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018875","9.1425","0.0009","9.7138","0.0011","7.361","0.002","90","","92.265","0.016","90","","653.2","0.2","293","","293","","","","3490000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0548","0.0379","","0.0916","0.0667","0.0916","","","","","","0.9333","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018876","9.0447","0.0005","9.6337","0.0007","7.3016","0.0014","90","","91.765","0.01","90","","635.92","0.14","293","","293","","","","4920000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0348","0.029","","0.0615","0.0539","0.0615","","","","","","0.8689","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018877","8.9747","0.0005","9.5739","0.0006","7.2465","0.0011","90","","91.332","0.008","90","","622.47","0.11","293","","293","","","","5900000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0371","0.0306","","0.0642","0.0553","0.0642","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018878","8.9403","0.0006","9.5601","0.0008","7.2112","0.0014","90","","90.949","0.012","90","","616.26","0.14","293","","293","","","","6770000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0529","0.0395","","0.0957","0.0755","0.0957","","","","","","0.8687","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018879","8.9493","0.0009","9.621","0.0013","7.059","0.002","90","","89.829","0.018","90","","607.8","0.2","293","","293","","","","7890000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0887","0.0481","","0.2465","0.1151","0.2465","","","","","","1.0151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018904","19.615","0.006","10.247","0.003","12.076","0.004","90","","106.785","0.004","90","","2323.8","1.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H4 Mo5 O23 Rb4 Se2 -","- H4 Mo5 O23 Rb4 Se2 -","- H16 Mo20 O92 Rb16 Se8 -","4","1","","Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5687","5695","10.1039/c2dt12437h","","","0.71073","MoKα","","0.0308","0.0285","","","0.0638","0.0752","","","","","","1.047","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018905","19.221","0.009","10.078","0.004","11.832","0.006","90","","106.593","0.006","90","","2196.5","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H4 K4 Mo5 O23 Se2 -","- H4 K4 Mo5 O23 Se2 -","- H16 K16 Mo20 O92 Se8 -","4","1","","Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5687","5695","10.1039/c2dt12437h","","","0.71073","MoKα","","0.0321","0.0307","","","0.0681","0.0691","","","","","","1.06","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018908","21.7553","0.0005","9.3981","0.0002","12.6181","0.0003","90","","115.627","0.001","90","","2326.09","0.09","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","tris(trimethylphoshpine)-(3,5-bis(trifluoromethyl)pyrazolato)- rhodium(i)","","- C14 H28 F6 N2 P3 Rh -","- C14 H28 F6 N2 P3 Rh -","- C56 H112 F24 N8 P12 Rh4 -","4","1","","Rivers, Joseph H.; Depue Anderson, Lauren J.; Starr, Cotton M. N.; Jones, Richard A.","Rhodium pyrazolate complexes as potential CVD precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5401","5408","10.1039/c2dt12450e","","","0.71073","MoKα","","0.0421","0.0313","","","0.0533","0.0645","","","","","","1.063","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7019173","50.055","0.01","10.18","0.002","25.983","0.005","90","","97.64","0.03","90","","13122","5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H58 Cs F28 N0 O9 Yb -","- C56 H55 Cs F28 O9 Yb -","- C448 H440 Cs8 F224 O72 Yb8 -","8","2","","Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui","Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6696","6706","10.1039/c2dt30431g","","","0.71073","MoKα","","0.1195","0.0707","","","0.1676","0.2052","","","","","","0.996","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019209","25.421","0.005","14.31","0.003","27.301","0.006","90","","116.13","0.03","90","","8916","4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H126 O27 Ti6 -","- C60.2 H112.2 O27 Ti6 -","- C240.8 H448.8 O108 Ti24 -","4","1","","Piszczek, P.; Radtke, A.; Muzioł, T; Richert, M.; Chojnacki, J.","The conversion of multinuclear μ-oxo titanium(iv) species in the reaction of Ti(O(i)Bu)(4) with branched organic acids; results of structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8261","8269","10.1039/c2dt12338j","","x-ray","0.71073","MoKα","","0.1234","0.096","","","0.2491","0.2746","","","","","","1.032","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019889","18.369","0.0012","6.111","0.0003","15.116","0.001","90","","99.078","0.006","90","","1675.56","0.18","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H16 Cd O7 -","- C17 H16 Cd O7 -","- C68 H64 Cd4 O28 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0531","0.0437","","","0.0768","0.0817","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020118","16.315","0.005","6.425","0.005","8.559","0.005","90","","118.238","0.005","90","","790.4","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C9 H24 Cl N5 Ni O5 -","- C9 H24 Cl N5 Ni O5 -","- C18 H48 Cl2 N10 Ni2 O10 -","2","0.5","","Choubey, Somnath; Bhar, Kishalay; Chattopadhyay, Soumi; Hazra, Arpan; Maji, Tapas Kumar; Ribas, Joan; Ghosh, Barindra Kumar","First examples of two ferromagnetic end-to-end cyanate bridged 1D linear coordination polymers of nickel(II) containing an unsymmetrical diamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11551","11554","10.1039/c2dt30429e","","","0.71073","MoKα","","0.0577","0.056","","","0.1548","0.1577","","","","","","1.117","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020119","16.846","0.003","6.5212","0.001","9.0652","0.0014","90","","119.112","0.004","90","","870.1","0.2","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C9 H24 F6 N5 Ni O P -","- C9 H24 F6 N5 Ni O P -","- C18 H48 F12 N10 Ni2 O2 P2 -","2","0.5","","Choubey, Somnath; Bhar, Kishalay; Chattopadhyay, Soumi; Hazra, Arpan; Maji, Tapas Kumar; Ribas, Joan; Ghosh, Barindra Kumar","First examples of two ferromagnetic end-to-end cyanate bridged 1D linear coordination polymers of nickel(II) containing an unsymmetrical diamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11551","11554","10.1039/c2dt30429e","","","0.71073","MoKα","","0.1192","0.0666","","","0.1525","0.1752","","","","","","0.895","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020247","25.793","0.014","5.976","0.002","19.844","0.008","90","","123.24","0.016","90","","2558","2","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H19 N3 O3 Pd S -","- C7 H19 N3 O3 Pd S -","- C56 H152 N24 O24 Pd8 S8 -","8","2","","Yoshinari, Nobuto; Nagao, Yoshinori; Yokoi, Anzu; Igashira-Kamiyama, Asako; Konno, Takumi","Conversion of D-penicillaminato trinuclear to mononuclear palladium(II) structure by diamine ligands: remarkable enantioselectivity toward racemic 1,2-cyclohexanediamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11259","11262","10.1039/c2dt31076g","","","0.71075","MoKα","","0.0307","0.0264","","","0.0584","0.0601","","","","","","1.064","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020300","39.9096","0.0017","12.464","0.0015","25.867","0.0012","90","","125.963","0.003","90","","10414.6","1.5","291","2","291","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C360 H480 Co8 Dy8 N16 O100 P24 -","4","1","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0668","0.0519","","","0.1149","0.1219","","","","","","1.079","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020301","39.9497","0.0018","12.5044","0.0014","25.8121","0.0011","90","","125.965","0.003","90","","10436.4","1.4","291","2","291","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C360 H480 Co8 Dy8 N16 O100 P24 -","4","1","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.064","0.0501","","","0.1055","0.1086","","","","","","1.039","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020341","53.505","0.004","17.0141","0.0005","35.9017","0.0019","90","","125.176","0.009","90","","26714","4","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","[Cr7Ni(Etglu)F3Piv15]2(tmbp)","","","- C185 H320 Cl9 Cr14 F6 N5 Ni2 O70 -","- C185 H320 Cl9 Cr14 F6 N5 Ni2 O70 -","- C740 H1280 Cl36 Cr56 F24 N20 Ni8 O280 -","4","1","","Faust, Thomas B.; Tuna, Floriana; Timco, Grigore A.; Affronte, Marco; Bellini, Valerio; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Controlling magnetic communication through aromatic bridges by variation in torsion angle.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13626","13631","10.1039/c2dt31292a","","","0.71073","MoKα","","0.1208","0.0809","","","0.2222","0.2453","","","","","","0.996","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020410","26.772","0.0009","14.659","0.0006","28.2434","0.0013","90","","117.031","0.002","90","","9873.3","0.7","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H48 Cl5 F6 N2 P3 Pd -","- C48 H48 Cl5 F6 N2 P3 Pd -","- C384 H384 Cl40 F48 N16 P24 Pd8 -","8","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12395","12407","10.1039/c2dt31475d","","","0.71073","MoKα","","0.153","0.0853","","","0.1835","0.2224","","","","","","1.016","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020828","24.606","0.005","5.763","0.005","12.118","0.005","90","0.005","111.975","0.005","90","0.005","1593.5","1.6","298","","298","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H28 Ca N2 O8 P2 -","- C34 H28 Ca N2 O8 P2 -","- C68 H56 Ca2 N4 O16 P4 -","2","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0473","0.0394","","","0.0901","0.0948","","","","","","1.067","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7021203","82.21","0.02","5.4906","0.0015","7.579","0.002","90","","94.149","0.005","90","","3412.1","1.5","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H112 I N6 O17 Pt S2 -","- C56 H112 I N6 O17 Pt S2 -","- C112 H224 I2 N12 O34 Pt2 S4 -","2","0.5","","Shin, Minseob; Takaishi, Shinya; Kumagai, Shohei; Ueda, Yutaro; Breedlove, Brian K.; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Wakabayashi, Yusuke; Yamashita, Masahiro","Smallest optical gap for quasi-one-dimensional iodo-bridged platinum compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6277","6280","10.1039/c3dt32890b","","","0.71073","MoKα","","0.0901","0.0751","","","0.1978","0.2248","","","","","","1.128","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021300","16.064","0.003","14.808","0.003","14.846","0.003","90","","115.89","0.03","90","","3177.1","1.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H86 Cd3 N6 O49 Sm2 -","- C30 H58 Cd3 N6 O49 Sm2 -","- C60 H116 Cd6 N12 O98 Sm4 -","2","0.5","","Liu, Qi; Ge, Su-Zhi; Zhong, Jie-Cen; Sun, Yan-Qiong; Chen, Yi-Ping","Two novel 2D lanthanide-cadmium heterometal-organic frameworks based on nanosized heart-like Ln6Cd6O12 wheel-clusters exhibiting luminescence sensing to the polarization and concentration of cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6314","6317","10.1039/c3dt50368b","","","0.71073","MoKα","","0.0238","0.0236","","","0.0669","0.0671","","","","","","1.105","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021301","15.9222","0.0008","14.8017","0.0004","14.7923","0.0008","90","","115.882","0.007","90","","3136.5","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H86 Cd3 Eu2 N6 O49 -","- C30 H58 Cd3 Eu2 N6 O48 -","- C60 H116 Cd6 Eu4 N12 O96 -","2","0.5","","Liu, Qi; Ge, Su-Zhi; Zhong, Jie-Cen; Sun, Yan-Qiong; Chen, Yi-Ping","Two novel 2D lanthanide-cadmium heterometal-organic frameworks based on nanosized heart-like Ln6Cd6O12 wheel-clusters exhibiting luminescence sensing to the polarization and concentration of cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6314","6317","10.1039/c3dt50368b","","","1.54178","CuKα","","0.1127","0.1039","","","0.2458","0.2604","","","","","","0.969","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021733","16.427","0.003","8.2599","0.0012","12.1501","0.0017","90","","116.214","0.007","90","","1479","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H30 Cl2 N6 Pd -","- C32 H30 Cl2 N6 Pd -","- C64 H60 Cl4 N12 Pd2 -","2","0.5","","Hohloch, Stephan; Frey, Wolfgang; Su, Cheng-Yong; Sarkar, Biprajit","Abnormal carbenes derived from the 1,5-cycloaddition product between azides and alkynes: structural characterization of Pd(ii) complexes and their catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11355","11358","10.1039/c3dt51083b","","","0.71073","MoKα","","0.0983","0.062","","","0.1314","0.1591","","","","","","1.069","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7022038","23.2936","0.0007","10.2146","0.0003","22.5327","0.0007","90","","111.314","0.001","90","","4994.6","0.3","100","1","100","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H60 Li4 N4 Si4 -","- C52 H60 Li4 N4 Si4 -","- C208 H240 Li16 N16 Si16 -","4","1","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.0475","0.0441","","","0.1123","0.1149","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022181","18.1435","0.0018","7.9332","0.0008","17.2163","0.0017","90","","105.387","0.002","90","","2389.2","0.4","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H15 N9 O5 Zn2 -","- C19 H15 N9 O5 Zn2 -","- C76 H60 N36 O20 Zn8 -","4","1","","Hou, Lei; Jia, Li-Na; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Shi, Qi-Zhen","A polar tetrazolyl-carboxyl microporous Zn(II)-MOF: sorption and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3653","3659","10.1039/c2dt31968c","","","0.71073","MoKα","","0.0458","0.0422","","","0.106","0.1084","","","","","","1.032","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022250","15.731","0.002","8.6745","0.0012","11.5672","0.0016","90","","106.024","0.003","90","","1517.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H36 N2 O3 Zn -","- C36 H36 N2 O3 Zn -","- C72 H72 N4 O6 Zn2 -","2","0.5","","Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis","Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1893","1904","10.1039/c2dt32152a","","","0.71073","MoKα","","0.0265","0.0253","","","0.0575","0.0581","","","","","","1.042","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022468","25.096","0.002","10.4441","0.0008","18.8981","0.0013","90","","126.654","0.004","90","","3973.8","0.6","223","","223","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H37 F6 Hg N3 O6 S2 -","- C36 H30 F6 Hg N3 O6 S2 -","- C144 H120 F24 Hg4 N12 O24 S8 -","4","1","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.0552","0.0451","","","0.1069","0.1108","","","","","","0.983","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022471","25.681","0.0015","12.3916","0.0007","17.8922","0.001","90","","133.498","0.001","90","","4130.3","0.4","90","","90","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H21 Cl2 Hg N3 -","- C20 H21 Cl2 Hg N3 -","- C160 H168 Cl16 Hg8 N24 -","8","2","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.023","0.0215","","","0.0498","0.0538","","","","","","0.994","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022649","21.184","","16.634","","20.101","","90","","105.63","","90","","6821.16","","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C36 H120 Cu4 Mo4 N12 O108 Si2 W20 -","- C36 H48 Cu4 Mo3.75 N12 O108 Si2 W20.25 -","- C72 H96 Cu8 Mo7.5 N24 O216 Si4 W40.5 -","2","0.5","","Wang, Yuchao; Li, Fengyan; Xu, Lin; Jiang, Ning; Liu, Xizheng","Multidimensional crystal frameworks based on heteropoly blue building block of [SiW10Mo(V)2O40]6-: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5839","5847","10.1039/c3dt32658f","","","0.71073","MoKα","","0.0764","0.0593","","","0.1209","0.1277","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022970","15.5343","0.0008","20.3729","0.0011","19.5681","0.0011","90","","92.69","0.0007","90","","6186.1","0.6","173","2","173","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C42 H105 B F4 N3 O3 P5 Re6 Se8 -","- C30 H75 B F4 N3 P5 Re6 Se8 -","- C120 H300 B4 F16 N12 P20 Re24 Se32 -","4","1","","Knott, Stanley A.; Templeton, Jeffrey N.; Durham, Jessica L.; Howard, Angela M.; McDonald, Robert; Szczepura, Lisa F.","Azide alkyne cycloaddition facilitated by hexanuclear rhenium chalcogenide cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8132","8139","10.1039/c3dt50436k","","","0.71073","MoKα","","0.0338","0.0284","","","0.0736","0.0758","","","","","","1.088","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7023018","16.3176","0.0008","7.6287","0.0004","10.7629","0.0005","90","","108.4","0.001","90","","1271.29","0.11","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9.5 H13 Mn N5 O4.5 -","- C9.5 H11 Mn N5 O4.5 -","- C38 H44 Mn4 N20 O18 -","4","1","","Wang, Xuan; Li, Xiu-Bing; Yan, Ren-He; Wang, Yan-Qin; Gao, En-Qing","Diverse manganese(II) coordination polymers derived from achiral/chiral imidazolium-carboxylate zwitterions and azide: structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10000","10010","10.1039/c3dt50510c","","","0.71073","MoKα","","0.0605","0.0579","","","0.1531","0.1564","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023072","6.7608","0.0004","10.2296","0.0005","12.2954","0.0007","90","","103.801","0.003","90","","825.8","0.08","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C4 Br2 Fe O4 -","- C4 Br2 Fe O4 -","- C16 Br8 Fe4 O16 -","4","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","","0.71073","MoKα","","0.0715","0.0679","","","0.1723","0.1767","","","","","","1.095","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023128","22.8646","0.0015","6.6182","0.0003","7.0309","0.0004","90","","94.762","0.004","90","","1060.26","0.1","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","Calcium Uranyl Phosphite","","","- Ca1.81 O21 P4 U2.19 -","- Ca1.81 O21 P4 U2.19 -","- Ca3.62 O42 P8 U4.38 -","2","0.5","","Villa, Eric M.; Diwu, Juan; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E","Structural changes within the alkaline earth uranyl phosphites.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9637","9644","10.1039/c3dt50769f","","","0.71073","MoKα","","0.055","0.0404","","","0.0802","0.0842","","","","","","0.945","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023581","11.1089","0.001","9.483","0.0008","7.6116","0.0007","90","","112.026","0.003","90","","743.33","0.12","210","2","210","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H18 Al2 N2 O12 -","- C10 H18 Al2 N2 O12 -","- C20 H36 Al4 N4 O24 -","2","0.5","","Fairley, Melissa; Unruh, Daniel K.; Donovan, Amy; Abeysinghe, Samangi; Forbes, Tori Z.","Synthesis and characterization of homo- and heteronuclear molecular Al3+ and Th4+ species chelated by the ethylenediaminetetraacetate (edta) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13706","13714","10.1039/c3dt51517f","","","0.71073","MoKα","","0.0274","0.0261","","","0.0681","0.0692","","","","","","1.103","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023993","32.799","0.002","7.9896","0.0004","7.292","0.0004","90","","90.511","0.002","90","","1910.8","0.18","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Luo, Geng-Geng; Xia, Jiu-Xu; Fang, Kai; Zhao, Qing-Hua; Wu, Ji-Huai; Dai, Jing-Cao","Discovery of polymorphism-dependent emission for crystalline boron-dipyrromethene dye.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16268","16271","10.1039/c3dt52325j","","","0.71073","MoKα","","0.0728","0.0467","","","0.1169","0.1547","","","","","","1.094","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024051","24.5534","0.0006","9.7877","0.0002","13.5716","0.0003","90","","120.579","0.002","90","","2807.96","0.12","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","3D-Cadmium sulphate","","","- C20 H26 Cd2 N4 O13 S2 -","- C20 H16 Cd2 N4 O13 S2 -","- C80 H64 Cd8 N16 O52 S8 -","4","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","Synthesis, structure, transformation studies and catalytic properties of open-framework cadmium thiosulfate compounds.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2263","2279","10.1039/b908995k","","","0.71073","MoKα","","0.0687","0.0485","","","0.1311","0.1435","","","","","","1.056","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024194","25.2622","0.0004","9.0735","0.0002","10.4724","0.0002","90","","114.205","0.0009","90","","2189.4","0.07","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","ReO(His)(MeaDManp)","","","- C15 H28 N3 O11 Re -","- C15 H28 N3 O11 Re -","- C60 H112 N12 O44 Re4 -","4","1","","Grimminger, Philipp; Klüfers, Peter","Oxidorhenium(V) complexes with L-histidine and pyranosides.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","715","719","10.1039/b912603a","","","0.71073","MoKα","","0.0389","0.034","","","0.0855","0.0879","","","","","","1.108","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024572","16.4077","0.0006","9.8095","0.0004","14.9862","0.0005","90","","93.438","0.002","90","","2407.71","0.15","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 Ag N5 O5 -","- C24 H26 Ag N5 O5 -","- C96 H104 Ag4 N20 O20 -","4","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Dynamic ring-opening polymerization of silver(I) complexes with bis(amidopyridine) ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1273","1281","10.1039/b918615h","","","0.71073","MoKα","","0.0438","0.0353","","","0.075","0.0784","","","","","","1.041","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024896","16.7623","0.0006","8.4343","0.0002","9.5572","0.0004","90","","108.01","0.004","90","","1284.98","0.08","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C13 H41 B2 I P2 Si2 Sn -","- C13 H41 B2 I P2 Si2 Sn -","- C26 H82 B4 I2 P4 Si4 Sn2 -","2","0.5","","Wills, Corinne; Izod, Keith; Clegg, William; Harrington, Ross W.","Oxidation reactions of a phosphine-borane-stabilised dialkylstannylene.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2379","2384","10.1039/b922507b","","","0.71073","MoKα","","0.0446","0.0307","","","0.0496","0.0517","","","","","","0.953","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024983","21.312","0.004","8.2908","0.0017","8.9319","0.0018","90","","93.43","0.03","90","","1575.4","0.5","223","2","223","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H22 Cu F12 N8 O P2 -","- C28 H22 Cu F12 N8 O P2 -","- C56 H44 Cu2 F24 N16 O2 P4 -","2","0.5","","Constable, Edwin C.; Decurtins, Silvio; Housecroft, Catherine E.; Keene, Tony D.; Palivan, Cornelia G.; Price, Jason R.; Zampese, Jennifer A.","Half a grid is better than no grid: competition between 2,2':6',2''-terpyridine and 3,6-di(pyrid-2-yl)pyridazine for copper(II).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2337","2343","10.1039/b923729a","","","0.71073","MoKα","","0.0285","0.0284","","","0.075","0.0751","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025225","14.4598","0.0017","11.7213","0.0017","8.5302","0.0014","90","","90.875","0.01","90","","1445.6","0.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H34 B10 N6 Ni O40 -","- C8 H34 B10 N6 Ni O20 -","- C16 H68 B20 N12 Ni2 O40 -","2","0.5","","Pan, Chun-Yang; Hu, Sheng; Li, Da-Guang; Ouyang, Ping; Zhao, Feng-Hua; Zheng, Yu-Ying","The first ferroelectric templated borate: [Ni(en)2pip][B5O6(OH)4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5772","5773","10.1039/b925906f","","","0.71073","MoKα","","0.0753","0.0686","","","0.1947","0.2119","","","","","","1.098","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025336","14.7118","0.0003","11.4599","0.0003","9.8194","0.0003","90","","103.911","0.002","90","","1606.95","0.07","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H20 B5 N O11 -","- C7 H20 B5 N O11 -","- C28 H80 B20 N4 O44 -","4","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Knox, David A.; Timmis, James L.","Structural (XRD) and thermal (DSC, TGA) and BET analysis of materials derived from non-metal cation pentaborate salts.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3944","3951","10.1039/b927072h","","","0.71073","MoKα","","0.0721","0.0599","","","0.1566","0.1702","","","","","","1.077","","","","has coordinates,has disorder","179959","2020-10-21","18:00:00",""
"7025624","21.0875","0.0013","8.0184","0.0004","12.1927","0.0006","90","","118.391","0.004","90","","1813.67","0.18","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H48 Cl Ga N4 O8 -","- C38 H48 Cl Ga N4 O8 -","- C76 H96 Cl2 Ga2 N8 O16 -","2","0.5","","Sivapackiam, Jothilingam; Harpstrite, Scott E.; Prior, Julie L.; Gu, Hannah; Rath, Nigam P.; Sharma, Vijay","Synthesis, molecular structure, and validation of metalloprobes for assessment of MDR1 P-glycoprotein-mediated functional transport.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5842","5850","10.1039/c002361b","","","0.71073","MoKα","","0.0235","0.0224","","","0.0569","0.0574","","","","","","1.05","","","","has coordinates,has disorder","179962","2020-10-21","18:00:00",""
"7025896","28.003","0.007","13.173","0.003","17.633","0.004","90","","99.475","0.016","90","","6416","3","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C113 H146 B4 Cl2 F24 N32 P4 Rh8 -","- C113 H146 B4 Cl2 F24 N32 P4 Rh8 -","- C226 H292 B8 Cl4 F48 N64 P8 Rh16 -","2","0.5","","Hallett, Andrew J.; Adams, Christopher J.; Anderson, Kirsty M.; Baber, R. Angharad; Connelly, Neil G.; Prime, Christopher J.","Homo- and heterodinuclear complexes of the tetrakis(pyrazolyl)borate ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5899","5907","10.1039/c0dt00044b","","","0.71073","MoKα","","0.0259","0.0235","","","0.0547","0.0553","","","","","","0.985","","","","has coordinates,has disorder","179964","2020-10-21","18:00:00",""
"7026057","24.5647","0.0009","6.7463","0.0002","17.7095","0.0005","90","","91.215","0.003","90","","2934.17","0.16","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H13.5 Au Cl N5 O7.25 -","- C8 H13.5 Au Cl N5 O7.25 -","- C64 H108 Au8 Cl8 N40 O58 -","8","2","","Rychlewska, Urszula; Warzajtis, Beata; Glisić, Biljana D.; Zivković, Marija D.; Rajković, Snezana; Djuran, Milos I.","Monocationic gold(III) Gly-L-His and L-Ala-L-His dipeptide complexes: crystal structures arising from solvent free and solvent-containing crystal formation and structural modifications tuned by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8906","8913","10.1039/c0dt00163e","","","0.71073","MoKα","","0.0806","0.0404","","","0.0551","0.0596","","","","","","0.773","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7026261","9.7449","0.0017","10.5879","0.0012","8.5134","0.0014","90","","120.862","0.007","90","","754","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C2 H14 Al B5 N2 O11 -","- C2 H14 Al B5 N2 O11 -","- C4 H28 Al2 B10 N4 O22 -","2","0.5","","Cao, Gao-Juan; Lin, Jian; Wang, Jin-Yun; Zheng, Shou-Tian; Fang, Wei-Hui; Yang, Guo-Yu","Two additive-induced isomeric aluminoborates templated by methylamine.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8631","8636","10.1039/c0dt00303d","","","0.71073","MoKα","","0.0585","0.0538","","","0.148","0.1551","","","","","","1.08","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026688","17.4095","0.0019","12.946","0.001","6.502","0.0005","90","","111.889","0.003","90","","1359.8","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H14 Co1.5 F O12 -","- C9 H12 Co1.5 O12 -","- C36 H48 Co6 O48 -","4","1","","Nadeem, Muhammad Arif; Bhadbhade, Mohan; Stride, John Arron","Four new coordination polymers constructed from benzene tricarboxylic acid: synthesis, crystal structure, thermal and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9860","9865","10.1039/c0dt00600a","","","0.71073","MoKα","","0.042","0.0398","","","0.107","0.1104","","","","","","0.781","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7026691","17.488","0.002","12.9304","0.0017","6.5221","0.0008","90","","111.523","0.005","90","","1372","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H14 Fe1.5 O12 -","- C9 H14 Fe1.5 O12 -","- C36 H56 Fe6 O48 -","4","1","","Nadeem, Muhammad Arif; Bhadbhade, Mohan; Stride, John Arron","Four new coordination polymers constructed from benzene tricarboxylic acid: synthesis, crystal structure, thermal and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9860","9865","10.1039/c0dt00600a","","","0.71073","MoKα","","0.0525","0.0419","","","0.1067","0.1195","","","","","","0.791","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026734","25.15","0.002","15.3942","0.0013","14.1502","0.0012","90","","115.89","0.001","90","","4928.6","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C62 H79 Cl14 Fe9 N6 O39 -","- C62 H79 Cl14 Fe9 N6 O39 -","- C124 H158 Cl28 Fe18 N12 O78 -","2","0.5","","Taguchi, Taketo; Thompson, Michael S.; Abboud, Khalil A.; Christou, George","Unusual Fe9 and Fe18 structural types from the use of 2,6-pyridinedimethanol in Fe(III) cluster chemistry.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9131","9139","10.1039/c0dt00635a","","","0.71073","MoKα","","0.045","0.0422","","","0.1161","0.1187","","","","","","1.024","","","","has coordinates,has disorder","179973","2020-10-21","18:00:00",""
"7027195","20.732","0.005","12.235","0.002","9.238","0.005","90","","95.35","0.02","90","","2333.1","1.4","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[2,6-bis-(3-tert-butylpyrazol-1-yl)pyridine]dicopper(I) dihexafluorophosphate","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C76 H100 Cu4 F24 N20 P4 -","2","0.5","","Solanki, Nayan K.; Wheatley, Andrew E. H.; Radojevic, Sanja; McPartlin, Mary; Halcrow, Malcolm A.","Structural variations in dicopper(I) double helicate complexes","Journal of the Chemical Society, Dalton Transactions","1999","","4","521","","10.1039/a809237k","","","0.71073","MoKα","","0.0653","0.0498","","0.1321","0.1217","","","","1.055","1.081","1.081","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027388","21.9372","0.0011","11.7406","0.0008","9.1656","0.0004","90","","93.68","0.003","90","","2355.8","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H9 N O11 Os3 -","- C19 H9 N O11 Os3 -","- C76 H36 N4 O44 Os12 -","4","1","","Deeming, Antony J.; Stchedroff, Marc J.; Whittaker, Caroline; Arce, Alejandro J.; De Sanctis, Ysaura; Steed, Jonathan W.","Orientational isomerism in bridging 2-pyridyl complexes: orthometallation of (S )-nicotine and (R)-1-(4-pyridyl)ethanol in triosmium clusters","Journal of the Chemical Society, Dalton Transactions","1999","","18","3289","","10.1039/a902061f","","","0.7107","MoKα","","0.0414","0.0377","","","0.0847","0.0859","","","","","","1.047","","","","has coordinates,has disorder","179979","2020-10-21","18:00:00",""
"7027819","16.783","0.007","7.454","0.002","16.124","0.007","90","","104.17","0.02","90","","1955.7","1.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H29 Cl3 Co N5 O4 -","- C12 H29 Cl3 Co N5 O4 -","- C48 H116 Cl12 Co4 N20 O16 -","4","1","","Benzo, Fabián; Bernhardt, Paul V.; González, Gabriel; Martinez, Manuel; Sienra, Beatriz","Variable temperature and pressure study of the aquation reactions of cobalt(III) and chromium(III) penta- and tetra-amines †","Journal of the Chemical Society, Dalton Transactions","1999","","22","3973","","10.1039/a907895i","","","0.71073","MoKα","","0.0533","0.0466","","0.131","0.1254","","","","1.083","1.099","1.099","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027840","38.311","0.003","12.1983","0.0013","11.121","0.0007","90","","94.53","0.007","90","","5180.9","0.8","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","bistriphenylphosphine-{bis(phenylethane-1,2-diol)boryl} platinum dichloromethane solvate","","- C54 H50 B2 Cl4 O4 P2 Pt -","- C54 H48 B2 Cl4 O4 P2 Pt -","- C216 H192 B8 Cl16 O16 P8 Pt4 -","4","1","","Clegg, William; Johann, Thorsten R. F.; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Peakman, Torren M.; Quayle, Michael J.; Rice, Craig R.; Scott, Andrew J.","Platinum-catalysed 1,4-diboration of 1,3-dienes","Journal of the Chemical Society, Dalton Transactions","1998","","9","1431","","10.1039/a800108a","","","0.71073","MoKα","","0.0251","0.0219","","0.0487","0.0481","","","","0.966","1.004","1.004","","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027915","19.015","0.0014","7.4238","0.0005","14.894","0.0011","90","","119.4","0.004","90","","1831.7","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 N2 O4 W -","- C18 H22 N2 O4 W -","- C72 H88 N8 O16 W4 -","4","1","","Wong, Yee-Lok; Yan, Yan; Chan, Edith S. H.; Yang, Qingchuan; Mak, Thomas C. W.; Ng, Dennis K. P.","cis-Dioxo-tungsten(VI) and -molybdenum(VI) complexes with N2O2 tetradentate ligands: synthesis, structure, electrochemistry and oxo-transfer properties","Journal of the Chemical Society, Dalton Transactions","1998","","18","3057","","10.1039/a804425b","","","0.71073","MoKα","","0.0574","0.0539","","0.166","0.1453","","","","1.05","1.056","1.056","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7027940","11.5219","0.0016","11.7468","0.0016","9.6554","0.0013","90","","115.254","0.003","90","","1181.9","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H41 Cl N4 O10 P2 -","- C14 H41 Cl N4 O10 P2 -","- C28 H82 Cl2 N8 O20 P4 -","2","0.5","","Stigers, Dannon J.; Ferdani, Riccardo; Weisman, Gary R.; Wong, Edward H.; Anderson, Carolyn J.; Golen, James A.; Moore, Curtis; Rheingold, Arnold L.","A new phosphonate pendant-armed cross-bridged tetraamine chelator accelerates copper(ii) binding for radiopharmaceutical applications","Dalton Transactions","2010","39","7","1699","1701","10.1039/b920871b","","","0.71073","MoKα","","0.0358","0.0333","","","0.0805","0.0817","","","","","","1.066","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7028084","26.172","0.002","10.8054","0.0008","17.568","0.002","90","","93.796","0.008","90","","4957.3","0.8","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47 H53 Cl9 N2 P2 -","- C47 H53 Cl9 N2 P2 -","- C188 H212 Cl36 N8 P8 -","4","1","","Shaw, Bernard L.; Iranpoor, Nasser; Perera, Sarath D.; Thornton-Pett, Mark; Vessey, Jonathan D.","Complexes of the (1R)-(+)-camphor azine diphosphines Z,Z-3,3′-Ph2PnC10H15N‒NC10H15PxPh2 and Z,Z-3,3′-Ph2PxC10H15N‒N C10H15PxPh2 (x = exo, n = endo) with Group 6 metal carbonyls: crystal structures of the ligands and fac-[W(CO)3(E,Z-Ph2PxC10H15 N‒NC10H15PxPh2)]","Journal of the Chemical Society, Dalton Transactions","1998","","11","1885","","10.1039/a801585f","","","1.54184","CuKα","","0.0642","0.0508","","0.1517","0.1454","","","","1.138","1.239","1.239","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028085","23.9559","0.0012","6.6755","0.0004","24.0682","0.0012","90","","103.882","0.005","90","","3736.5","0.4","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H50 N2 P2 -","- C44 H50 N2 P2 -","- C176 H200 N8 P8 -","4","1","","Shaw, Bernard L.; Iranpoor, Nasser; Perera, Sarath D.; Thornton-Pett, Mark; Vessey, Jonathan D.","Complexes of the (1R)-(+)-camphor azine diphosphines Z,Z-3,3′-Ph2PnC10H15N‒NC10H15PxPh2 and Z,Z-3,3′-Ph2PxC10H15N‒N C10H15PxPh2 (x = exo, n = endo) with Group 6 metal carbonyls: crystal structures of the ligands and fac-[W(CO)3(E,Z-Ph2PxC10H15 N‒NC10H15PxPh2)]","Journal of the Chemical Society, Dalton Transactions","1998","","11","1885","","10.1039/a801585f","","","1.54184","CuKα","","0.0327","0.0287","","0.0792","0.0775","","","","1.057","1.079","1.079","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028838","24.5378","0.0009","24.9529","0.0011","19.294","0.0007","90","","121.601","0.001","90","","10061.8","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C70 H62 Cl14 N8 Ni O10 -","- C70 H58 Cl14 N8 Ni O10 -","- C280 H232 Cl56 N32 Ni4 O40 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.1472","0.0957","","","0.2411","0.2605","","","","","","0.997","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028890","29.293","0.011","12.976","0.005","19.198","0.008","90","","98.423","0.007","90","","7219","5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C47.38 H96.75 Ag6 N4 O0.34 S6 -","- C47.376 H96.752 Ag6 N4 O0.344 S6 -","- C189.504 H387.008 Ag24 N16 O1.376 S24 -","4","1","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0784","0.0523","","","0.1457","0.1648","","","","","","1.043","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7029214","21.3268","0.0004","6.665","0.0001","22.74","0.0004","90","","116.166","0.002","90","","2901.09","0.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H32 Cl2 Hg N2 O2 -","- C30 H32 Cl2 Hg N2 O2 -","- C120 H128 Cl8 Hg4 N8 O8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","166","172","10.1039/c3dt52036f","","","0.71073","MoKα","","0.0197","0.0164","","","0.0363","0.0374","","","","","","1.005","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029445","21.713","0.0015","10.0823","0.0007","21.2984","0.0014","90","","105.315","0.007","90","","4497","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H60 N5 Nd O2 Si4 -","- C42 H60 N5 Nd O2 Si4 -","- C168 H240 N20 Nd4 O8 Si16 -","4","1","","Bennett, Stacey D.; Core, Bryony A.; Blake, Matthew P.; Pope, Simon J. A.; Mountford, Philip; Ward, Benjamin D.","Chiral lanthanide complexes: coordination chemistry, spectroscopy, and catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5871","5885","10.1039/c4dt00114a","","","0.71073","MoKα","","0.0344","0.0313","","","0.071","0.0766","","","","","","1.111","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029446","21.7225","0.0011","10.0865","0.0003","21.249","0.002","90","","105.02","0.01","90","","4496.7","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H60 N5 O2 Si4 Sm -","- C42 H60 N5 O2 Si4 Sm -","- C168 H240 N20 O8 Si16 Sm4 -","4","1","","Bennett, Stacey D.; Core, Bryony A.; Blake, Matthew P.; Pope, Simon J. A.; Mountford, Philip; Ward, Benjamin D.","Chiral lanthanide complexes: coordination chemistry, spectroscopy, and catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5871","5885","10.1039/c4dt00114a","","","0.71075","MoKα","","0.0216","0.0202","","","0.0439","0.0453","","","","","","1.068","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029718","14.1731","0.0017","6.2064","0.0008","10.469","0.002","90","","131.008","0.001","90","","694.92","0.18","100","2","100","0","","","","","","","","4","C 1 2 1","C 2y","5","Bis(quinolyl)mercury (II)(Bent)","","","- C18 H12 Hg N2 -","- C18 H12 Hg N2 -","- C36 H24 Hg2 N4 -","2","0.5","","Tamang, Sem Raj; Son, Jung-Ho; Hoefelmeyer, James D","Preparation of RHgCl via transmetalation of (8-quinolyl)SnMe3 and redistribution to R2Hg (R = 8-quinolyl): a highly distorted diorganomercury(ii) with 84 degree C-Hg-C angle.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7139","7145","10.1039/c4dt00384e","","","0.71073","MoKα","","0.018","0.018","","","0.0461","0.0461","","","","","","1.087","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7030178","15.5","0.006","7.312","0.004","10.354","0.006","90","","116.97","0.03","90","","1045.9","1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H26 N2 Se2 Sn -","- C18 H26 N2 Se2 Sn -","- C36 H52 N4 Se4 Sn2 -","2","0.5","","Sharma, Rakesh K.; Kedarnath, G.; Wadawale, Amey; Betty, C. A.; Vishwanadh, B.; Jain, Vimal K.","Diorganotin(IV) 2-pyridyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of tin selenide nanocrystals and thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12129","12138","10.1039/c2dt31197f","","","0.71073","MoKα","","0.0779","0.0377","","","0.0745","0.0886","","","","","","1.028","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030221","17.365","0.002","6.266","0.0009","24.847","0.003","90","","106.045","0.002","90","","2598.3","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H18 Cl N O3 Ru -","- C12 H18 Cl N O3 Ru -","- C96 H144 Cl8 N8 O24 Ru8 -","8","2","","Carmona, Daniel; Viguri, Fernando; Pilar Lamata, M.; Ferrer, Joaquina; Bardají, Elisa; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Ruthenium amino carboxylate complexes as asymmetric hydrogen transfer catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10298","10308","10.1039/c2dt30976a","","","0.71073","MoKα","","0.0322","0.0296","","","0.0656","0.0674","","","","","","1.015","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030476","22.608","0.002","13.568","0.001","13.497","0.001","90","","116.15","0.01","90","","3716.4","0.6","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","Tris-(mu-((diphenylphosphino)methyl)benzene-1,2-bis(olato)-(mu-((diphenylpho sphino)methyl)-6-hydroxyphenolato)-aluminium(III)-dipalladium(II)","","- C78 H65 Al Cl4 O8 P4 Pd2 -","- C76 H61 Al O8 P4 Pd2 -","- C152 H122 Al2 O16 P8 Pd4 -","2","0.5","","Bauer, G.; Nieger, M.; Gudat, D.","Heterobimetallic catechol-phosphine complexes with palladium and a group-13 element: structural flexibility and dynamics.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8911","8920","10.1039/c4dt00785a","","","0.71073","MoKα","","0.13","0.07","","","0.1309","0.1475","","","","","","0.947","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030946","32.8047","0.0008","16.8286","0.0005","31.6834","0.0008","90","","91.867","0.002","90","","17481.8","0.8","130","2","130","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C170 H204 Cd2 N18 O31 P4 -","- C140 H134 Cd2 N8 O21 P4 -","- C560 H536 Cd8 N32 O84 P16 -","4","1","","Lestari, Witri Wahyu; Streit, Huayna Cerqueira; Lönnecke, Peter; Wickleder, Claudia; Hey-Hawkins, Evamarie","Synthesis, structure and luminescence properties of a cadmium(ii)-based coordination polymer with (S)-4,4'-bis(4-carboxyphenyl)-2,2'-bis(diphenylphosphinoyl)-1,1'-binaphthyl as chiral linker.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8188","8195","10.1039/c3dt53543f","","","1.54184","CuKα","","0.0763","0.0604","","","0.1578","0.1692","","","","","","1","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7031490","22.255","0.002","17.369","0.002","12.876","0.0013","90","","112.095","0.007","90","","4611.7","0.9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C93.5 H119 Cl3 Cu4 N4 O8 -","- C93.5 H119 Cl3 Cu4 N4 O8 -","- C187 H238 Cl6 Cu8 N8 O16 -","2","0.5","","Zhang, Guoqi; Proni, Gloria; Zhao, Sherry; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Chiral tetranuclear and dinuclear copper(ii) complexes for TEMPO-mediated aerobic oxidation of alcohols: are four metal centres better than two?","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12313","12320","10.1039/c4dt01224k","","","0.71073","MoKα","","0.0399","0.0396","","","0.1058","0.1062","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031502","14.561","0.005","5.1031","0.0014","14.153","0.005","90","","114.57","0.04","90","","956.4","0.6","296","2","296","2","","","","","","","synthesized","5","C 1 2 1","C 2y","5","","","","- C10 H10 Li N O3 -","- C10 H10 Li N O3 -","- C40 H40 Li4 N4 O12 -","4","1","","Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra","Characterization of a meso-chiral isomer of a hexanuclear Cu(ii) cage from racemization of the l-alanine Schiff base.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12952","","10.1039/c4dt01443j","","","0.71073","MoKα","","0.191","0.0906","","","0.1109","0.1534","","","","","","0.989","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031635","24.259","0.002","17.5767","0.001","11.3099","0.0009","90","","101.031","0.006","90","","4733.4","0.6","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H83 Cl4 Mn4 N19 O24 -","- C78 H83 Cl4 Mn4 N19 O24 -","- C156 H166 Cl8 Mn8 N38 O48 -","2","0.5","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","0.71073","MoKα","","0.0744","0.0672","","","0.1839","0.1894","","","","","","1.239","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031769","23.4741","0.0008","12.0721","0.0004","16.8073","0.0005","90","","116.734","0.004","90","","4253.8","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C70 H86 O11 W2 -","- C70 H86 O11 W2 -","- C140 H172 O22 W4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl","Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13612","13619","10.1039/c4dt01936a","","","0.71073","MoKα","","0.0448","0.0364","","","0.0841","0.0881","","","","","","1.024","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031979","32.966","0.002","12.6937","0.0008","23.6444","0.0015","90","0.005","124.259","0.001","90","0.005","8177.6","0.9","100","2","100","2","","","","","","","Synthesis in the lab","8","C 1 2 1","C 2y","5","","","","- C38 H39 F12 N2 O3 P Rh Sb2 -","- C38 H39 F12 N2 O3 P Rh Sb2 -","- C304 H312 F96 N16 O24 P8 Rh8 Sb16 -","8","2","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71069","MoKα","","0.1264","0.0736","","","0.1367","0.1574","","","","","","0.986","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7032098","23.9471","0.0007","8.3931","0.0002","17.0344","0.0005","90","","96.451","0.001","90","","3402.07","0.16","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H47 I2 N3 O4 -","- C30 H47 I2 N3 O4 -","- C120 H188 I8 N12 O16 -","4","1","","Chutia, R.; Das, G.","Hydrogen and halogen bonding in a concerted act of anion recognition: F(-) induced atmospheric CO2 uptake by an iodophenyl functionalized simple urea receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15628","15637","10.1039/c4dt00940a","","","0.71073","MoKα","","0.0604","0.0421","","","0.1107","0.1203","","","","","","1.074","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032142","25.228","0.009","20.296","0.006","14.423","0.005","90","","103.207","0.013","90","","7190","4","200","","200","","","","","","","","","5","C 1 2 1","C 2y","5","","[{(t-BuC6H4)3CCONH}2C6H2S]2S-3.1(MeOH)-H2O","","- C73.1 H96.4 N2 O6.1 S3 -","- C73.1 H91.3 N2 O6.1 S3 -","- C292.4 H365.2 N8 O24.4 S12 -","4","1","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.2918","0.1461","","","0.3355","0.4201","","","","","","1.047","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032943","19.8552","0.0004","8.2449","0.0003","14.0093","0.0006","90","","130.412","0.004","90","","1746.19","0.15","150","1","150","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14.5 H23 Cl3 N3 Sb -","- C14.5 H23 Cl3 N3 Sb -","- C58 H92 Cl12 N12 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor","Antimony(III) and bismuth(III) amides containing pendant N-donor groups‒a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","395","400","10.1039/c4dt02692f","","","0.71073","MoKα","","0.0172","0.0162","","","0.0419","0.0427","","","","","","1.146","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7033198","34.7547","0.0004","17.0086","0.0002","19.4792","0.0003","90","","99.044","0.001","90","","11371.6","0.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C104 H146 Ca2 Mn N8 O16 S8 -","- C104 H146 Ca2 Mn N8 O16 S8 -","- C416 H584 Ca8 Mn4 N32 O64 S32 -","4","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","0.71073","MoKα","","0.0668","0.0449","","","0.0921","0.0962","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033368","11.9587","0.0007","7.994","0.0005","21.4277","0.0011","90","","96.212","0.003","90","","2036.4","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","[Cu(HTyrNO2)2(H2O)].2DMSO","","","- C36 H44 Cu N4 O13 S2 -","- C36 H44 Cu N4 O13 S2 -","- C72 H88 Cu2 N8 O26 S4 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Solvent effect on neutral chiral supramolecular assemblies and their distinct receptor behaviour towards anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1520","1525","10.1039/c4dt02778g","","","0.71073","MoKα","","0.0408","0.0329","","","0.0729","0.0925","","","","","","1.016","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033473","18.0426","0.0003","14.5715","0.0002","9.2242","0.0002","90","","91.985","0.001","90","","2423.66","0.07","150","2","150","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C49 H45 Ag Cl4 Fe2 N2 O6 P2 -","- C49 H45 Ag Cl4 Fe2 N2 O6 P2 -","- C98 H90 Ag2 Cl8 Fe4 N4 O12 P4 -","2","0.5","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0258","0.0242","","","0.0529","0.0538","","","","","","1.02","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033894","12.0163","0.0008","7.738","0.0005","17.1859","0.0014","90","","107.324","0.002","90","","1525.49","0.19","250","2","250","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu(HTyr-4pyr)2(H2O)].2H2O","","","- C30 H36 Cu N4 O9 -","- C30 H36 Cu N4 O9 -","- C60 H72 Cu2 N8 O18 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.0378","0.0336","","","0.0691","0.0711","","","","","","0.936","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033956","23.6249","0.0006","13.2778","0.0004","12.427","0.0003","90","","112.176","0.003","90","","3609.83","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C71 H113 N4 O3 Y2 -","- C71 H113 N4 O3 Y2 -","- C142 H226 N8 O6 Y4 -","2","0.5","","Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent","Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12137","12148","10.1039/c5dt00129c","","","0.71073","MoKα","","0.069","0.0506","","","0.1179","0.1264","","","","","","1.054","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033962","14.5133","0.0006","7.4487","0.0003","10.7119","0.0005","90","","104.338","0.005","90","","1121.94","0.09","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","sodium dimanganese pentaborohydride bis(diethyl ether)","","","- C8 H40 B5 Mn2 Na O2 -","- C8 H40 B5 Mn2 Na O2 -","- C16 H80 B10 Mn4 Na2 O4 -","2","0.5","","Tumanov, Nikolay A.; Safin, Damir A.; Richter, Bo; Łodziana, Zbigniew; Jensen, Torben R.; Garcia, Yann; Filinchuk, Yaroslav","Challenges in the synthetic routes to Mn(BH4)2: insight into intermediate compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6571","6580","10.1039/c4dt03807j","","","0.71073","MoKα","","0.0659","0.0557","","","0.1459","0.1545","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7034004","20.52","0.006","10.281","0.003","13.813","0.004","90","","125.503","0.005","90","","2372.3","1.2","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H17 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.1005","0.0677","","","0.151","0.172","","","","","","1.009","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034275","16.8441","0.0007","7.0162","0.0003","31.0687","0.0011","90","","95.858","0.004","90","","3652.6","0.3","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","catena-{bis[μ~2~-N-(L-leucine methyl ester)-N'-(pyridin-3-ylmethyl)oxalamide]-dichloro-copper(II)}","","- C30 H42 Cl2 Cu N6 O8 -","- C30 H42 Cl2 Cu N6 O8 -","- C120 H168 Cl8 Cu4 N24 O32 -","4","1","","Cametti, Massimo; Cetina, Mario; Džolić, Zoran","Cu(ii)-specific metallogel formation by an amido-anthraquinone-pyridyloxalamide ligand in DMSO-water.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7223","7229","10.1039/c4dt03976a","","","0.71073","MoKα","","0.0672","0.0417","","","0.084","0.0927","","","","","","0.997","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034592","24.2473","0.0007","8.6331","0.0003","9.8278","0.0004","90","","100.011","0.001","90","","2025.92","0.12","293","2","293","2","","","","","","","synthesis as described","7","C 1 2 1","C 2y","5","","","","- C16 H23 Au B Cl N4 O2 -","- C16 H23 Au B Cl N4 O2 -","- C64 H92 Au4 B4 Cl4 N16 O8 -","4","1","","Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc","Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7139","7143","10.1039/c5dt00814j","","x-ray","0.71073","MoKα","","0.0642","0.0562","","","0.1395","0.1474","","","","","","1.076","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7035620","18.775","0.003","15.626","0.003","12.872","0.002","90","","99.973","0.002","90","","3719.3","1.1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C73 H50 Cu7 N31 O -","- C73 H48 Cu7 N31 O -","- C146 H96 Cu14 N62 O2 -","2","0.5","","He, Xiang; Fang, Kang; Guo, Xiao-Hai; Han, Jing; Lu, Xiao-Peng; Li, Ming-Xing","A homochiral Cu(i) coordination polymer based on achiral precursors and its photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13545","13549","10.1039/c5dt01328c","","","0.71073","MoKα","","0.1017","0.0562","","","0.1013","0.1158","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035625","35.2163","0.0017","6.727","0.0003","9.5287","0.0005","90","","102.512","0.002","90","","2203.74","0.19","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 Cl2 N2 Pt -","- C24 H26 Cl2 N2 Pt -","- C96 H104 Cl8 N8 Pt4 -","4","1","","Albert, Joan; Bosque, Ramon; Crespo, Margarita; Granell, Jaume; López, Concepción; Martín, Raquel; González, Asensio; Jayaraman, Anusha; Quirante, Josefina; Calvis, Carme; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Cascante, Marta; Messeguer, Ramon","Neutral and ionic platinum compounds containing a cyclometallated chiral primary amine: synthesis, antitumor activity, DNA interaction and topoisomerase I-cathepsin B inhibition.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13602","13614","10.1039/c5dt01713k","","","0.71073","MoKα","","0.0158","0.0151","","","0.0346","0.0348","","","","","","1.049","","","","has coordinates","153152","2020-10-21","18:00:00",""
"7035987","14.991","0.0002","7.3994","0.0001","10.5296","0.0002","90","","93.746","0.001","90","","1165.49","0.03","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H17 O2 P S -","- C10 H17 O2 P S -","- C40 H68 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0221","0.0214","","","0.0561","0.0566","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035991","29.199","0.001","9.1211","0.0002","18.0309","0.0005","90","","112.228","0.003","90","","4445.3","0.2","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H26 O2 P2 S2 -","- C22 H26 O2 P2 S2 -","- C176 H208 O16 P16 S16 -","8","2","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0359","0.0304","","","0.0633","0.0657","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036724","20.1905","0.0014","6.83","0.002","9.5946","0.0007","90","","112.981","0.004","90","","1218.1","0.4","293","","293","","","","340","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.051","0.0407","","0.0639","0.0631","0.0639","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036725","20.1241","0.0014","6.8","0.002","9.5772","0.0007","90","","113.069","0.004","90","","1205.8","0.4","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0495","0.0434","","0.1035","0.0926","0.1035","","","","","","1.019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036726","20.0669","0.0014","6.771","0.002","9.5645","0.0007","90","","113.161","0.004","90","","1194.8","0.4","293","","293","","","","800","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0499","0.0358","","0.0609","0.0597","0.0609","","","","","","0.9857","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036727","20.0069","0.0012","6.7361","0.0019","9.5511","0.0006","90","","113.257","0.004","90","","1182.6","0.4","293","","293","","","","1090","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0582","0.046","","0.0719","0.071","0.0719","","","","","","0.9863","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036728","19.9615","0.0016","6.715","0.003","9.5408","0.0008","90","","113.331","0.004","90","","1174.3","0.5","293","","293","","","","1320","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0587","0.0428","","0.0707","0.0696","0.0707","","","","","","0.9972","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036729","19.9008","0.0013","6.689","0.002","9.5275","0.0007","90","","113.453","0.003","90","","1163.5","0.4","293","","293","","","","1570","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0426","0.0345","","0.0599","0.0594","0.0599","","","","","","0.9866","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036730","19.8482","0.0014","6.664","0.002","9.5173","0.0007","90","","113.535","0.004","90","","1154.1","0.4","293","","293","","","","1800","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0569","0.0332","","0.0611","0.0586","0.0611","","","","","","0.9978","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036731","19.7638","0.0018","6.621","0.003","9.5007","0.0009","90","","113.677","0.005","90","","1138.6","0.5","293","","293","","","","2290","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0452","0.0329","","0.0579","0.0567","0.0579","","","","","","1.0006","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036732","19.6986","0.0013","6.57","0.0018","9.4982","0.0006","90","","113.778","0.004","90","","1124.9","0.3","293","","293","","","","2650","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0554","0.036","","0.0633","0.062","0.0633","","","","","","0.9994","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036733","19.6368","0.0015","6.512","0.002","9.5039","0.0007","90","","113.862","0.004","90","","1111.4","0.4","293","","293","","","","3050","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.041","0.0341","","0.0604","0.0597","0.0604","","","","","","0.9978","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036734","19.5753","0.0019","6.476","0.003","9.5153","0.001","90","","114.033","0.006","90","","1101.7","0.5","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0774","0.0491","","0.0784","0.0722","0.0784","","","","","","0.9952","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036740","17.8158","0.0013","14.7358","0.0006","15.073","0.001","90","","125.227","0.01","90","","3232.5","0.5","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H29 Bi N2 O8 -","- C35 H29 Bi N2 O8 -","- C140 H116 Bi4 N8 O32 -","4","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7107","MoKα","","0.0356","0.0281","","","0.0417","0.0444","","","","","","0.91","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037227","30.53","0.003","19.2182","0.0013","21.851","0.003","90","","132.931","0.002","90","","9387","1.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H52 Dy N9 O12 -","- C46 H52 Dy N9 O12 -","- C368 H416 Dy8 N72 O96 -","8","2","","Ren, Min; Xu, Zhong-Li; Wang, Ting-Ting; Bao, Song-Song; Zheng, Ze-Hua; Zhang, Zai-Chao; Zheng, Li-Min","Homochiral mononuclear Dy-Schiff base complexes showing field-induced double magnetic relaxation processes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","690","695","10.1039/c5dt03800f","","","0.71073","MoKα","","0.0967","0.0546","","","0.0821","0.0909","","","","","","1.002","","","","has coordinates,has disorder","192220","2020-10-21","18:00:00",""
"7037665","9.7324","0.0009","5.9746","0.0005","22.871","0.002","90","","93.764","0.003","90","","1327","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H34 O6 Zn -","- C26 H34 O6 Zn -","- C52 H68 O12 Zn2 -","2","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M","A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1614","1621","10.1039/c5dt04031k","","","1.54178","CuKα","","0.0794","0.0791","","","0.2021","0.204","","","","","","1.067","","","","has coordinates","176029","2020-10-21","18:00:00",""
"7037823","19.756","0.011","10.922","0.006","10.065","0.005","90","","92.043","0.007","90","","2170","2","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H40 P2 -","- C60 H40 P2 -","- C120 H80 P4 -","2","0.5","","Son, Changsu; Inagaki, Akiko","Synthesis and photocatalytic activity of a naphthyl-substituted photosensitizing BINAP-palladium complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1331","1334","10.1039/c5dt04228c","","","0.71075","MoKα","","0.0395","0.0383","","","0.1018","0.103","","","","","","1.056","","","","has coordinates","176021","2020-10-21","18:00:00",""
"7037896","19.6588","0.0012","7.7101","0.0005","10.0166","0.0006","90","","106.519","0.001","90","","1455.57","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H44 Fe2 N4 O18 -","- C16 H26 Fe2 N4 O18 -","- C32 H52 Fe4 N8 O36 -","2","0.5","","Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3340","3361","10.1039/c5dt03711e","","","0.71073","MoKα","","0.0456","0.045","","","0.11","0.1102","","","","","","1.246","","","","has coordinates","177841","2020-10-21","18:00:00",""
"7037913","15.8329","0.0004","5.82472","0.00013","14.7176","0.0003","90","","122.072","0.0009","90","","1150.14","0.05","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Cl2 Cu N2 O5 -","- C24 H20 Cl2 Cu N2 O5 -","- C48 H40 Cl4 Cu2 N4 O10 -","2","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","","0.0445","","","","0.1125","","","","","","1.096","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037914","15.81","0.0003","5.83189","0.00011","14.816","0.0003","90","","121.1","0.0008","90","","1169.71","0.04","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Br2 Cu N2 O5 -","- C24 H20 Br2 Cu N2 O5 -","- C48 H40 Br4 Cu2 N4 O10 -","2","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","","0.0442","","","","0.108","","","","","","1.113","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037953","12.983","0.004","11.352","0.003","15.982","0.005","90","","110.11","0.03","90","","2211.9","1.2","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H30 Cl3 Cu N4 -","- C16 H30 Cl3 Cu N4 -","- C64 H120 Cl12 Cu4 N16 -","4","1","","Zürner, Philipp; Schmidt, Horst; Bette, Sebastian; Wagler, Jörg; Frisch, Gero","Ionic liquid, glass or crystalline solid? Structures and thermal behaviour of (C4mim)2CuCl3.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3327","3333","10.1039/c5dt03772g","","","0.71073","MoKα","","0.0727","0.0481","","","0.1096","0.1307","","","","","","1.142","","","","has coordinates,has disorder","177823","2020-10-21","18:00:00",""
"7037954","12.99","0.006","11.404","0.004","8.386","0.004","90","","116.3","0.03","90","","1113.7","0.9","233","2","233","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H30 Cl3 Cu N4 -","- C16 H30 Cl3 Cu N4 -","- C32 H60 Cl6 Cu2 N8 -","2","0.5","","Zürner, Philipp; Schmidt, Horst; Bette, Sebastian; Wagler, Jörg; Frisch, Gero","Ionic liquid, glass or crystalline solid? Structures and thermal behaviour of (C4mim)2CuCl3.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3327","3333","10.1039/c5dt03772g","","","0.71073","MoKα","","0.0627","0.048","","","0.0984","0.1108","","","","","","1.044","","","","has coordinates,has disorder","177823","2020-10-21","18:00:00",""
"7038247","32.1763","0.0017","11.3815","0.0004","15.8038","0.0008","90","","116.629","0.007","90","","5173.7","0.5","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C93 H101 Cl7 F12 N8 O22 Ru4 S4 -","- C93 H97 Cl7 F12 N8 O22 Ru4 S4 -","- C186 H194 Cl14 F24 N16 O44 Ru8 S8 -","2","0.5","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Skelton, Brian W.; White, Allan H.; Chierotti, Michele R.; Gobetto, Roberto","Self-assembly of arene ruthenium acylpyrazolone fragments to tetranuclear metallacycles. Molecular structures and solid-state (15)N CPMAS NMR correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3974","3982","10.1039/c6dt00168h","","","0.71073","MoKα","","0.1317","0.0738","","","0.1353","0.1486","","","","","","0.941","","","","has coordinates,has disorder","177856","2020-10-21","18:00:00",""
"7038738","29.337","0.005","14.113","0.002","14.318","0.002","90","","112.28","0.003","90","","5485.5","1.4","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C88 H130 F12 N6 O30 Rh4 S4 -","- C80 H86 F12 N6 O16 Rh4 S4 -","- C160 H172 F24 N12 O32 Rh8 S8 -","2","0.5","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.0719","0.0519","","","0.1324","0.1424","","","","","","0.964","","","","has coordinates","182728","2020-10-21","18:00:00",""
"7038876","17.9113","0.0016","11.0853","0.001","14.0293","0.001","90","","118.359","0.005","90","","2451.3","0.4","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H32 Ag N3 O5 -","- C26 H32 Ag N3 O5 -","- C104 H128 Ag4 N12 O20 -","4","1","","Cardoso, João M S; Galvão, Adelino M; Guerreiro, Soraia I.; Leitão, Jorge H; Suarez, Ana C.; Carvalho, M Fernanda N N","Antibacterial activity of silver camphorimine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7114","7123","10.1039/c6dt00099a","","","0.71073","MoKα","","0.0448","0.0342","","","0.0642","0.068","","","","","","0.99","","","","has coordinates","182730","2020-10-21","18:00:00",""
"7039139","21.7535","0.0005","17.0849","0.0005","16.4796","0.0004","90","","112.597","0.002","90","","5654.6","0.3","133","2","133","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100 H178 B2 N20 S4 Yb2 -","- C100 H178 B2 N20 S4 Yb2 -","- C200 H356 B4 N40 S8 Yb4 -","2","0.5","","Kühling, Marcel; McDonald, Robert; Liebing, Phil; Hilfert, Liane; Ferguson, Michael J.; Takats, Josef; Edelmann, Frank T.","Stabilization of molecular lanthanide polysulfides by bulky scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10118","10121","10.1039/c6dt01439a","","","0.71073","MoKα","","0.0404","0.0352","","","0.1153","0.1398","","","","","","1.067","","","","has coordinates,has disorder","185361","2020-10-21","18:00:00",""
"7039503","37.566","0.004","5.2293","0.0005","16.778","0.002","90","","115.093","0.009","90","","2984.9","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H22 Br2 Cl2 Hg N4 -","- C32 H22 Br2 Cl2 Hg N4 -","- C128 H88 Br8 Cl8 Hg4 N16 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0821","0.0752","","","0.1197","0.1423","","","","","","0.96","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039952","22.6611","0.0011","16.9747","0.0008","15.2845","0.0007","90","","106.794","0.002","90","","5628.7","0.5","173.15","","173.15","","","","","","","","","9","C 1 2 1","C 2y","5","","Compound-4","","- C30 H34 Cl Gd N6 Na Ni O27 P6 -","- C30 H34 Cl Gd N6 Na Ni O27 P6 -","- C120 H136 Cl4 Gd4 N24 Na4 Ni4 O108 P24 -","4","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.1152","0.0678","","","0.1571","0.1771","","","","","","0.947","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7040125","10.5018","0.0004","24.7063","0.0009","16.9193","0.0007","90","","90.967","0.002","90","","4389.3","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C81 H124 N16 O17 S4 -","- C81 H124 N16 O17 S4 -","- C162 H248 N32 O34 S8 -","2","0.5","","Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.","Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13427","13439","10.1039/c6dt02784a","","","0.71073","MoKα","","0.0579","0.0543","","","0.1451","0.1492","","","","","","1.029","","","","has coordinates,has disorder","186406","2020-10-21","18:00:00",""
"7040549","26.227","0.008","12.494","0.003","16.625","0.004","90","","92.55","0.02","90","","5442","2","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40.8 H68.6 Cl9 N9 O3.7 Zn3 -","- C40.8 H62 Cl9 N9 O4.5 Zn3 -","- C163.2 H248 Cl36 N36 O18 Zn12 -","4","1","","Löffler, Marta; Gregoliński, Janusz; Korabik, Maria; Lis, Tadeusz; Lisowski, Jerzy","Multinuclear Ni(ii), Cu(ii) and Zn(ii) complexes of chiral macrocyclic nonaazamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15586","15594","10.1039/c6dt02504h","","","0.71073","MoKα","","0.0792","0.0602","","","0.1492","0.1559","","","","","","1.03","","","","has coordinates,has disorder","188130","2020-10-21","18:00:00",""
"7041044","21.5697","0.0005","5.67097","0.00008","17.9276","0.0004","90","","127.823","0.004","90","","1732.21","0.11","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H28 N2 O2 Zn -","- C16 H28 N2 O2 Zn -","- C64 H112 N8 O8 Zn4 -","4","1","","O' Donoghue, Richard; Peeters, Daniel; Rogalla, Detlef; Becker, Hans-Werner; Rechmann, Julian; Henke, Sebastian; Winter, Manuela; Devi, Anjana","Systematic molecular engineering of Zn-ketoiminates for application as precursors in atomic layer depositions of zinc oxide.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19012","19023","10.1039/c6dt03571j","","x-ray","1.54184","CuKα","","0.0369","0.0366","","","0.0994","0.0997","","","","","","1.047","","","","has coordinates","190217","2020-10-21","18:00:00",""
"7041237","15.858","0.0003","11.7581","0.0003","13.3446","0.0003","90","","108.849","0.0006","90","","2354.8","0.09","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C47 H50 B2 F8 N4 P2 Rh2 -","- C47 H50 B2 F8 N4 P2 Rh2 -","- C94 H100 B4 F16 N8 P4 Rh4 -","2","0.5","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","1.54178","CuKα","","0.0226","0.0224","","","0.0568","0.0569","","","","","","1.072","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041714","27.3091","0.0007","8.6678","0.0002","8.6743","0.0002","90","","108.081","0.002","90","","1951.9","0.08","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C9 H15 Au2 Cl5 N4 O4 -","- C9 H15 Au2 Cl5 N4 O4 -","- C36 H60 Au8 Cl20 N16 O16 -","4","1","","Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I","Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2594","2608","10.1039/c6dt04862e","","","0.71073","MoKα","","0.0175","0.0171","","","0.0414","0.0416","","","","","","1.088","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7041783","18.3602","0.0008","12.4769","0.0005","10.1119","0.0004","90","","103.858","0.005","90","","2248.99","0.17","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C49 H61 Cu2 N7 -","- C49 H61 Cu2 N7 -","- C98 H122 Cu4 N14 -","2","0.5","","Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Binuclear β-diketiminate complexes of copper(i).","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2081","2090","10.1039/c6dt04246e","","","0.71073","MoKα","","0.0496","0.0406","","","0.0888","0.0946","","","","","","1.023","","","","has coordinates","193824","2020-10-21","18:00:00",""
"7041901","25.975","0.0002","19.349","0.0002","18.347","0.0002","90","","134.064","0.001","90","","6625.89","0.16","150","2","150.15","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C60 H61 B F24 N8 O2 Ru S -","- C60 H61 B F24 N8 O2 Ru S -","- C240 H244 B4 F96 N32 O8 Ru4 S4 -","4","1","","Häller, L Jonas L; Mas-Marzá, Elena; Cybulski, Mateusz K.; Sanguramath, Rajashekharayya A.; Macgregor, Stuart A.; Mahon, Mary F.; Raynaud, Christophe; Russell, Christopher A.; Whittlesey, Michael K.","Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)) and their [Ru(R2PCH2CH2PR2)2(L)H](+) congeners.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2861","2873","10.1039/c7dt00117g","","","0.71073","MoKα","","0.0591","0.0383","","","0.0804","0.0888","","","","","","1.036","","","","has coordinates,has disorder","193834","2020-10-21","18:00:00",""
"7042536","18.6709","0.0004","9.3853","0.0003","23.941","0.0008","90","","106.914","0.0018","90","","4013.8","0.2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C40.5 H35 Cl4 N2 O2 P Pd S -","- C40.5 H35 Cl4 N2 O2 P Pd S -","- C162 H140 Cl16 N8 O8 P4 Pd4 S4 -","4","1","","Scattolin, Thomas; Visentin, Fabiano; Santo, Claudio; Bertolasi, Valerio; Canovese, Luciano","Isocyanide insertion across the Pd-C bond of allenyl and propargyl palladium complexes bearing phosphoquinoline as a spectator ligand. Synthesis of a palladium complex bearing a coordinated cyclobutenyl fragment.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5210","5217","10.1039/c7dt00454k","","","0.71073","MoKα","","0.0551","0.0394","","","0.0789","0.0865","","","","","","1.04","","","","has coordinates","196429","2020-10-21","18:00:00",""
"7043360","22.8955","0.0005","12.0287","0.0002","18.1593","0.0005","90","","104.657","0.003","90","","4838.4","0.2","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H57 Li O9 Sn -","- C56 H57 Li O9 Sn -","- C224 H228 Li4 O36 Sn4 -","4","1","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0473","0.0347","","","0.0661","0.07","","","","","","0.997","","","","has coordinates,has disorder","197902","2020-10-21","18:00:00",""
"7043524","17.766","0.007","5.557","0.002","13.792","0.005","90","","120.633","0.008","90","","1171.6","0.8","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 N2 O2 S -","- C28 H24 N2 O2 S -","- C56 H48 N4 O4 S2 -","2","0.5","","Singh, Poornima; Singh, Ajai kumar","Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling","Dalton Trans.","2017","","","","","10.1039/C7DT01279A","","","0.71073","MoKα","","0.1168","0.0804","","","0.1166","0.1283","","","","","","1.082","","","","has coordinates","198500","2020-10-21","18:00:00",""
"7044399","20.8539","0.0005","12.8581","0.0003","22.0217","0.0006","90","","103.783","0.003","90","","5734.9","0.3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H32 Cl2 N2 O4 P Rh -","- C20 H32 Cl2 N2 O4 P Rh -","- C160 H256 Cl16 N16 O32 P8 Rh8 -","8","2","","Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis","Amidine functionalized phosphines: tuneable ligands for transition metals","Dalton Trans.","2017","","","","","10.1039/C7DT03343E","","","0.71073","MoKα","","0.0254","0.023","","","0.0534","0.0547","","","","","","1.03","","","","has coordinates","201582","2020-10-21","18:00:00",""
"7044435","14.8222","0.0012","18.034","0.002","11.3463","0.0012","90","","124.635","0.001","90","","2495.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Cu N4 O6 -","- C28 H24 Cu N4 O6 -","- C112 H96 Cu4 N16 O24 -","4","1","","Liu, Jian-Qiang; Wang, Jun; Li, Baohong; Lu, Lu; Sakiyama, Hiroshi; Kumar, Abhinav","An unusual zig-zag 1D copper(II) coordination polymer displaying magnetic phase transition","Dalton Trans.","2017","","","","","10.1039/C7DT03539J","","","0.71073","MoKα","","0.0617","0.0463","","","0.1132","0.1217","","","","","","1.035","","","","has coordinates,has disorder","201847","2020-10-21","18:00:00",""
"7045443","11.7354","0.0007","20.308","0.003","13.771","0.003","90","","107.289","0.011","90","","3133.7","0.9","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C34 H84 Co2 Cu3 N6 Na3 O23 S6 -","- C34 H84 Co2 Cu3 N6 Na3 O23 S6 -","- C68 H168 Co4 Cu6 N12 Na6 O46 S12 -","2","0.5","","Oya, Naoyuki; Yamada, Mihoko; Surinwong, Sireenart; Kuwamura, Naoto; Konno, Takumi","A stable thiolato-Cu<sup>I</sup>-thiolato triple linkage that bridges two cobalt(iii) centres.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2497","2500","10.1039/c7dt04760f","","","0.71075","MoKα","","0.0666","0.0507","","","0.0756","0.0795","","","","","","1.035","","","","has coordinates,has disorder","229394","2020-10-21","18:00:00",""
"7045485","35.198","0.002","10.8799","0.0007","6.5582","0.0004","90","","100.146","0.003","90","","2472.2","0.3","130","2","130","2","","","","","","","","7","C 1 2 1","C 2y","5","","'iPrFOTMSAu(I)'","","- C50 H64 Au2 Fe2 N2 O2 Si2 -","- C50 H64 Au2 Fe2 N2 O2 Si2 -","- C100 H128 Au4 Fe4 N4 O4 Si4 -","2","0.5","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0293","0.0261","","","0.0575","0.0582","","","","","","1.028","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045494","18.6557","0.001","14.9639","0.0008","6.5471","0.0004","90","","100.348","0.004","90","","1797.97","0.18","130","2","130","2","","","","","","","","6","C 1 2 1","C 2y","5","","'iPrFOMeAu(I)'","","- C38 H50 Au2 Fe2 N2 O3 -","- C38 H50 Au2 Fe2 N2 O3 -","- C76 H100 Au4 Fe4 N4 O6 -","2","0.5","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0399","0.028","","","0.0466","0.0485","","","","","","1.006","","","","has coordinates,has disorder","229993","2020-10-21","18:00:00",""
"7045746","23.5657","0.0016","13.4664","0.0009","12.537","0.0009","90","","90.732","0.002","90","","3978.2","0.5","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C37 H39 B Cl Cu F2 N5 O6 -","- C37 H39 B Cl Cu F2 N5 O6 -","- C148 H156 B4 Cl4 Cu4 F8 N20 O24 -","4","1","","Bhattacharyya, Arnab; Jameei, Aida; Garai, Aditya; Saha, Rupak; Karande, Anjali A.; Chakravarty, Akhil R.","Mitochondria-localizing BODIPY-copper(ii) conjugates for cellular imaging and photo-activated cytotoxicity forming singlet oxygen.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5019","5030","10.1039/C8DT00255J","","","0.71073","MoKα","","0.0717","0.0555","","","0.1356","0.1433","","","","","","1.01","","","","has coordinates","229774","2020-10-21","18:00:00",""
"7045899","25.6108","0.0012","13.8705","0.0006","23.6977","0.001","90","","101.385","0.0013","90","","8252.6","0.6","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C25.17 H37.33 B Cl0.33 F2 O2 P2 Pd -","- C25.1667 H37.3333 B Cl0.333333 F2 O2 P2 Pd -","- C302 H448 B12 Cl4 F24 O24 P24 Pd12 -","12","3","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.71073","MoKα","","0.0545","0.0487","","","0.1043","0.1071","","","","","","1.099","","","","has coordinates,has disorder","229854","2020-10-21","18:00:00",""
"7045984","18.1983","0.0012","22.7116","0.0015","14.4488","0.001","90","","126.6","0.006","90","","4794.3","0.7","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C18 H75 Ge3 N18 Ni3 O45 Sb3 V15 -","- C18 H72 Ge3 N18 Ni3 O45 Sb3 V15 -","- C36 H144 Ge6 N36 Ni6 O90 Sb6 V30 -","2","0.5","","Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.","Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6672","6674","10.1039/c8dt00715b","","","0.71073","MoKα","","0.0375","0.0314","","","0.075","0.0775","","","","","","0.996","","","","has coordinates,has disorder","229607","2020-10-21","18:00:00",""
"7046161","11.2162","0.0004","23.1617","0.001","14.1043","0.0007","90","","109.037","0.005","90","","3463.7","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C66 H46 N8 O22 Zn3 -","- C66 H46 N8 O22 Zn3 -","- C132 H92 N16 O44 Zn6 -","2","0.5","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.08","0.0599","","","0.1512","0.1717","","","","","","0.889","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046229","11.1571","0.0016","22.941","0.003","23.007","0.004","90","","95.972","0.006","90","","5856.8","1.5","152","2","152","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H66 N8 O38 P4 Zn3 -","- C38 H66 N8 O38 P4 Zn3 -","- C152 H264 N32 O152 P16 Zn12 -","4","1","","Qiu, Qi-Ming; Gu, Leilei; Ma, Hongwei; Yan, Li; Liu, Minghua; Li, Hui","Double layer zinc-UDP coordination polymers: structure and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14174","14178","10.1039/c8dt01537f","","","0.71073","MoKα","","0.0558","0.0429","","","0.0983","0.1033","","","","","","1.042","","","","has coordinates","229731","2020-10-21","18:00:00",""
"7046581","23.848","0.013","17.081","0.003","16.644","0.003","90","","134.258","0.016","90","","4856","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C77 H85 Fe3 N41 O S5 -","- C77 H85 Fe3 N41 O S5 -","- C154 H170 Fe6 N82 O2 S10 -","2","0.5","","Wu, Qiong; Han, Yanbing; Shao, Zhichao; Li, Junxia; Hou, Hongwei","Stable Fe(ii)-based coordination polymers: synthesis, structural diversity and catalytic applications in homo-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8063","8069","10.1039/c8dt01839a","","","0.71073","MoKα","","0.0666","0.055","","","0.1357","0.1473","","","","","","0.888","","","","has coordinates","229226","2020-10-21","18:00:00",""
"7046933","11.703","0.0006","16.1087","0.0008","7.3641","0.0005","90","","116.03","0.008","90","","1247.46","0.15","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H10 Ba N2 O10 -","- C6 H2 Ba N2 O9 -","- C24 H8 Ba4 N8 O36 -","4","1","","Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania","Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10071","10079","10.1039/c8dt02177e","","","0.71075","MoKα","","","0.0246","","","","0.081","","","","","","1.245","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7047163","25.309","0.002","11.6311","0.001","24.649","0.002","90","","117.22","0.005","90","","6452.4","1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-((1R,2S,5R)-(-)-menthyl)methyl)-2,3,4,5-tetraphenylphosphole-1-oxide","","- C39 H41 O2 P -","- C39 H41 O2 P -","- C156 H164 O8 P4 -","4","1","","Oshchepkova, Elena; Zagidullin, Almaz; Burganov, Timur; Katsyuba, Sergey; Miluykov, Vasily; Lodochnikova, Olga","Novel enantiopure monophospholes: synthesis, spatial and electronic structure, photophysical characteristics and conjugation effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11521","11529","10.1039/c8dt02208a","","x-ray","0.71073","MoKα","","0.108","0.0763","","","0.2039","0.2454","","","","","","1.024","","","","has coordinates","229416","2020-10-21","18:00:00",""
"7047196","21.0673","0.0007","9.5867","0.0003","16.1406","0.0005","90","","129.594","0.001","90","","2511.98","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H84 N2 Si10 -","- C36 H84 N2 Si10 -","- C72 H168 N4 Si20 -","2","0.5","","Ishida, Shintaro; Tamura, Tomofumi; Iwamoto, Takeaki","Dearomative cycloadditions of a silylene with pyrazine and quinoxaline.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11317","11321","10.1039/c8dt02802h","","","0.71073","MoKα","","0.0362","0.0346","","","0.0839","0.0851","","","","","","1.061","","","","has coordinates","229428","2020-10-21","18:00:00",""
"7047448","42.4758","0.0009","13.9687","0.0003","23.1291","0.0006","90","","105.61","0.003","90","","13217.1","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8.84 H8.14 Cd0.18 N0.91 O1.96 -","- C8.84211 H8.14035 Cd0.175439 N0.912281 O1.96491 -","- C504 H464 Cd10 N52 O112 -","57","14.25","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","1.54184","CuKα","","0.1066","0.0922","","","0.2483","0.2636","","","","","","1.047","","","","has coordinates,has disorder","229492","2020-10-21","18:00:00",""
"7047528","11.1634","0.0002","20.7999","0.0003","8.9866","0.0001","90","","112.125","0.0018","90","","1933.02","0.06","150","","150","","","","","","","","from U of Wollongong","5","C 1 2 1","C 2y","5","","","","- C20 H24 N2 Ni O6 -","- C20 H24 N2 Ni O6 -","- C80 H96 N8 Ni4 O24 -","4","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","x-ray","0.71073","MoKα","","0.0228","0.0218","","0.0555","0.0545","0.0555","","","","","","1.0075","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047535","11.1734","0.0002","20.8139","0.0003","8.9919","0.0002","90","","112.121","0.002","90","","1937.24","0.07","150","","150","","","","","","","","from U of Wollongong","5","C 1 2 1","C 2y","5","","","","- C20 H24 N2 Ni O6 -","- C20 H24 N2 Ni O6 -","- C80 H96 N8 Ni4 O24 -","4","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","x-ray","0.71073","MoKα","","0.0262","0.0241","","0.0571","0.0542","0.0571","","","","","","1.0164","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047714","27.5162","0.0019","6.7012","0.0005","17.479","0.0013","90","","119.506","0.003","90","","2805","0.4","250","","250","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H32 Cu N2 O4 S4 -","- C20 H32 Cu N2 O4 S4 -","- C80 H128 Cu4 N8 O16 S16 -","4","1","","Brustolin, L.; Nardon, C.; Pettenuzzo, N.; Zuin Fantoni, N.; Quarta, S.; Chiara, F.; Gambalunga, A.; Trevisan, A.; Marchiò, L; Pontisso, P.; Fregona, D.","Synthesis, chemical characterization and cancer cell growth-inhibitory activities of Cu(ii) and Ru(iii) aliphatic and aromatic dithiocarbamato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15477","15486","10.1039/c8dt02965b","","","0.71073","MoKα","","0.0423","0.0352","","","0.0952","0.0995","","","","","","1.068","","","","has coordinates","229436","2020-10-21","18:00:00",""
"7048083","30.1708","0.001","8.3962","0.0001","14.929","0.0009","90","","118.445","0.004","90","","3325.3","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H84 Cs O10 Yb -","- C78 H84 Cs O10 Yb -","- C156 H168 Cs2 O20 Yb2 -","2","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","0.71073","MoKα","","0.0391","0.0368","","","0.1007","0.1029","","","","","","1","","","","has coordinates","229716","2020-10-21","18:00:00",""
"7048229","10.3874","0.0009","11.2015","0.0009","20.3224","0.0017","90","","98.921","0.003","90","","2336","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","E2FeA","","","- C29 H32 Fe O3 -","- C29 H32 Fe O3 -","- C116 H128 Fe4 O12 -","4","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.0634","0.0579","","","0.1511","0.1577","","","","","","1.114","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048290","19.1253","0.0011","15.57","0.0008","22.0836","0.0012","90","","99.096","0.002","90","","6493.4","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H26 Eu N5 Ni O13 -","- C30 H26 Eu N5 Ni O13 -","- C240 H208 Eu8 N40 Ni8 O104 -","8","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0499","0.0387","","","0.0991","0.1045","","","","","","1.053","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048292","19.098","0.001","15.5383","0.0007","22.0389","0.0011","90","","99.059","0.002","90","","6458.5","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H26 Eu N5 Ni O13 -","- C30 H26 Eu N5 Ni O13 -","- C240 H208 Eu8 N40 Ni8 O104 -","8","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0417","0.0313","","","0.0714","0.0803","","","","","","1.083","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048640","30.0735","0.0015","10.7348","0.0003","23.2145","0.0012","90","","130.949","0.009","90","","5660.5","0.9","150","0.1","150","0.1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H71 Au2 Cl2 F N2 P2 -","- C52 H71 Au2 Cl2 F N2 P2 -","- C208 H284 Au8 Cl8 F4 N8 P8 -","4","1","","Chen, Xiaodan; Hinz, Alexander; Harmer, Jeffrey R.; Li, Zhongshu","Metastable phosphorus neutral monoradical: a key intermediate in the bicyclic cage formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2549","2553","10.1039/c8dt04842h","","x-ray","1.54184","CuKα","","0.0592","0.0546","","","0.1378","0.1445","","","","","","1.003","","","","has coordinates,has disorder","223972","2020-10-21","18:00:00",""
"7049491","32.973","0.0005","17.089","0.0004","23.241","0.0005","90","","125.675","0.0013","90","","10638.2","0.4","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Gross102 (Sudhakar)","","","- C106 H40 Co2 F48 N12 -","- C106 H40 Co2 F48 N12 -","- C424 H160 Co8 F192 N48 -","4","1","","Sudhakar, Kolanu; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Trifluoromethylation for affecting the structural, electronic and redox properties of cobalt corroles.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4798","4810","10.1039/c9dt00675c","","","0.71073","MoKα","","0.1047","0.0984","","","0.2111","0.2146","","","","","","1.26","","","","has coordinates,has disorder","224378","2020-10-21","18:00:00",""
"7050128","18.373","0.008","5.489","0.004","11.369","0.004","90","","124.22","0.03","90","","948.1","0.9","122","2","122","2","","","","","","","","3","C 1 2 1","C 2y","5","Schiff base","N-[(1E)-1H-pyrrol-2-ylmethylene]benzene-1,2-diamine","","- C11 H11 N3 -","- C11 H11 N3 -","- C44 H44 N12 -","4","1","","Munro, Orde Q.; Strydom, Sandra D.; Grimmer, Craig D.","Complementary hydrogen bonding in a new tridentate Schiff base ligand: X-ray, DFT and solution NMR studiesElectronic supplementary information (ESI) available: unit cell packing diagram for 3 (Fig. S1) and 1H NMR spectra of 3 as a function of the concentration of added H2O in CDCl3 solution (Fig. S2). See http://www.rsc.org/suppdata/nj/b3/b305946d/","New Journal of Chemistry","2004","28","1","34","","10.1039/b305946d","","","0.71073","MoKα","","0.0382","0.0361","","","0.1","0.1016","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050271","23.052","0.007","8.9826","0.0008","12.684","0.003","90","","107.504","0.012","90","","2504.8","1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Mn N2 O4 -","- C30 H26 Mn N2 O4 -","- C120 H104 Mn4 N8 O16 -","4","1","","Pradeep, Chullikkattil P.; Htwe, Tin; Zacharias, Panthapally S.; Das, Samar K.","First structurally characterized optically active mononuclear Mn(iv) complex: synthesis, crystal structure and properties of [MnivL2] {H2L?=?S-(?)-2-[(2-hydroxy-1-phenylethylimino)methyl]phenol}Electronic supplementary information (ESI) available: GC analysis of the styrene epoxidation; 1H NMR spectrum of (E)-stilbene oxide produced by the epoxidation of (E)-stilbene. See http://www.rsc.org/suppdata/nj/b3/b315658c/","New Journal of Chemistry","2004","28","6","735","","10.1039/b315658c","","","0.71073","MoKα","","0.0253","0.0236","","","0.0622","0.0633","","","","","","1.073","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050361","32.676","0.005","3.964","0.001","7.502","0.001","90","","98.47","0.01","90","","961.1","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","2-methoxy-4,6-dimethyl-5-formaylbenzaldehyde","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","J. Narasimha Moorthy; R.Natarajan; Prasenjit Mal; P.Venugopalan","First example of a helical nanotube sustained by weak C-H∙∙∙O/N hydrogen bonds: Remarkable self-assembly of an o-anisaldehyde","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.052","0.0447","","","0.1188","0.126","","","","","","1.008","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050437","19.4095","0.0004","24.4145","0.0005","15.8976","0.0002","90","","109.026","0.001","90","","7121.9","0.2","123","1","123","1","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C97 H208 O97 -","- C97 H158 O96.5 -","- C194 H316 O193 -","2","0.5","","Braga, Susana S.; Gonçalves, Isabel S.; Herdtweck, E.; Teixeira-Dias, José J. C.","Solid state inclusion compound of S-ibuprofen in β-cyclodextrin: structure and characterisationElectronic supplementary information (ESI) available: crystal and data collection parameters and relevant O⋯O contacts (divided in six different groups) for βCD∶S-Ibu. See: http://www.rsc.org/suppdata/nj/b2/b207272f/","New Journal of Chemistry","2003","27","3","597","","10.1039/b207272f","","","0.71073","MoKα","","0.0726","0.0717","","","0.1951","0.1968","","","","","","1.022","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050483","27.506","0.003","10.44","0.002","19.595","0.003","90","","121.486","0.012","90","","4798.5","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H78 Na O6 Sb -","- C46 H78 Na O6 Sb -","- C184 H312 Na4 O24 Sb4 -","4","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","","","","","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050515","26.66","0.04","15.4","0.02","21.64","0.03","90","","90.06","","90","","8885","2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C81.5 H74 Ag3 Cl3 N18 O15.5 -","- C81.5 H74 Ag3 Cl3 N18 O15.5 -","- C326 H296 Ag12 Cl12 N72 O62 -","4","1","","Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar","A case of four-coordinate silver(i) adopting a high energy planar geometry. Experiment and theory","New Journal of Chemistry","2003","27","5","831","","10.1039/b211898j","","","0.71073","MoKα","","0.0897","0.0684","","","0.1867","0.2069","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051366","23.808","0.009","14.984","0.006","18.715","0.007","90","","94.265","0.005","90","","6658","4","163","2","163","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H84 Cu4 I4 N6 -","- C60 H84 Cu4 I4 N6 -","- C240 H336 Cu16 I16 N24 -","4","1","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. Part 9. Homoconfigurational coordination polymers based on a C2-symmetric, linear-bridging ligand","New Journal of Chemistry","2000","24","12","945","","10.1039/b005881p","","","0.71073","MoKα","","0.0439","0.0414","","","0.1043","0.1057","","","","","","1.041","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051440","14.646","0.002","8.597","0.002","10.128","0.002","90","","105.45","0.01","90","","1229.2","0.4","298.2","","298.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H32 Cl2 N2 O2 Zn -","- C44 H64 Cl4 N4 O4 Zn -","- C88 H128 Cl8 N8 O8 Zn2 -","2","0.5","","","","New Journal of Chemistry","1999","","","","","10.1039/a902177i","","","","","","","0.0505","","","0.0508","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051644","26.46","0.02","4.493","0.004","17.26","0.013","90","","111.24","0.04","90","","1913","3","273","2","273","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C37 H36 N13.5 -","- C37 H36 N13.5 -","- C74 H72 N27 -","2","0.5","","Ulrich, Sébastien; Buhler, Eric; Lehn, Jean-Marie","Reversible constitutional switching between macrocycles and polymers induced by shape change in a dynamic covalent system","New Journal of Chemistry","2009","33","2","271","","10.1039/b817261g","","","0.2647","synchrotron","","0.1386","0.0898","","","0.2179","0.2592","","","","","","0.969","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051669","17.0684","0.0015","8.0774","0.0007","18.8459","0.0017","90","","109.117","0.002","90","","2455","0.4","396","2","396","2","","","","","","","","5","C 1 2 1","C 2y","5","Bis-((S)-napthalenylethyl)thiourea","","","- C27 H30 N2 O S2 -","- C27 H30 N2 O S2 -","- C108 H120 N8 O4 S8 -","4","1","","Ali, Haslin Dato Paduka; Quinn, Susan J.; McCabe, Thomas; Kruger, Paul E.; Gunnlaugsson, Thorfinnur","Crystallographic, 1H NMR and CD studies of sterically strained thiourea anion receptors possessing two stereogenic centres","New Journal of Chemistry","2009","33","4","793","","10.1039/b819638a","","","0.71073","MoKα","","0.0463","0.0397","","","0.0922","0.0992","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051670","17.08","0.002","8.101","0.0009","18.903","0.002","90","","109.013","0.002","90","","2472.8","0.5","396","2","396","2","","","","","","","","5","C 1 2 1","C 2y","5","Bis-((R)-naphthalenylethyl)thiourea","","","- C27 H30 N2 O S2 -","- C27 H30 N2 O S2 -","- C108 H120 N8 O4 S8 -","4","1","","Ali, Haslin Dato Paduka; Quinn, Susan J.; McCabe, Thomas; Kruger, Paul E.; Gunnlaugsson, Thorfinnur","Crystallographic, 1H NMR and CD studies of sterically strained thiourea anion receptors possessing two stereogenic centres","New Journal of Chemistry","2009","33","4","793","","10.1039/b819638a","","","0.71073","MoKα","","0.0606","0.0482","","","0.0989","0.1082","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051840","13.184","0.0016","7.5135","0.0007","9.5583","0.0012","90","","104.607","0.015","90","","916.22","0.19","180","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H20 Cl2 N4 O4 -","- C16 H20 Cl2 N4 O4 -","- C32 H40 Cl4 N8 O8 -","2","0.5","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole‒alcohol‒carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.039","","","","0.038","","","","","","1.35","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7052090","32.142","0.006","6.2276","0.0012","11.413","0.002","90","","101.7","0.03","90","","2237","0.8","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H26 O3 -","- C29 H26 O3 -","- C116 H104 O12 -","4","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.1474","0.0876","","","0.1387","0.1579","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052633","46.597","0.004","8.8358","0.0007","13.4499","0.0009","90","","93.6","0.003","90","","5526.7","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H43 N O4 S12 -","- C62 H43 N O4 S12 -","- C248 H172 N4 O16 S48 -","4","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","A binaphthol-substituted tetrathiafulvalene with axial chirality and its enantiopure TCNQF4 charge-transfer salts","New Journal of Chemistry","2011","35","5","1004","","10.1039/c1nj20034h","","","0.71073","MoKα","","0.1586","0.0746","","","0.1662","0.2228","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052640","18.915","0.012","24.271","0.016","33.344","0.019","90","","99.883","0.016","90","","15081","16","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C210 H412 K6 O206 -","- C210 H300 K6 O206 -","- C420 H600 K12 O412 -","2","0.5","","Fernandes, José A.; Paz, Filipe A. Almeida; Braga, Susana S.; Ribeiro-Claro, Paulo J. A.; Rocha, João","Inclusion of potassium 4,4′-biphenyldicarboxylate into β-cyclodextrin: the design and synthesis of an organic secondary building unit","New Journal of Chemistry","2011","35","6","1280","","10.1039/c0nj00796j","","","0.71073","MoKα","","0.4596","0.1566","","","0.2844","0.3805","","","","","","1.069","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052776","24.575","0.005","13.191","0.003","31.096","0.006","90","","91.925","0.004","90","","10075","4","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H44 F21 N0 O7 Yb -","- C42 H40.5 F21 O7 Yb -","- C336 H324 F168 O56 Yb8 -","8","2","","Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui","Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?","New Journal of Chemistry","2011","35","11","2584","","10.1039/c1nj20430k","","","0.71073","MoKα","","0.0636","0.0481","","","0.1055","0.111","","","","","","0.977","","","","has coordinates","282882","2023-04-27","15:29:02",""
"7052777","24.573","0.006","13.207","0.003","31.227","0.008","90","","92.072","0.005","90","","10128","4","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H44 F21 N0 O7 Yb -","- C42 H40.5 F21 O7 Yb -","- C336 H324 F168 O56 Yb8 -","8","2","","Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui","Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?","New Journal of Chemistry","2011","35","11","2584","","10.1039/c1nj20430k","","","0.71073","MoKα","","0.1183","0.0716","","","0.1472","0.1616","","","","","","0.904","","","","has coordinates","282882","2023-04-27","15:29:03",""
"7052800","16.404","0.005","8.524","0.005","24.609","0.005","90","0.005","105.465","0.005","90","0.005","3316","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","LMBNa","","","- C32 H28 B2 Na2 O14 -","- C32 H24 B2 Na2 O14 -","- C128 H96 B8 Na8 O56 -","4","1","","Sun, Zhihua; Chen, Tianliang; Cai, Ning-ning; Chen, Jing-wei; Li, Lina; Wang, Yan; Luo, Junhua; Hong, Maochun","Synthesis, growth and characterization of a third-order nonlinear optical crystal based on the borate ester with sodium supporting its structural framework","New Journal of Chemistry","2011","35","12","2804","","10.1039/c1nj20420c","","","0.71069","MoKα","","0.0875","0.0719","","","0.1977","0.2171","","","","","","1.066","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052801","16.2846","0.0019","8.488","0.001","24.322","0.003","90","","105.077","0.001","90","","3246.2","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","LMBNa","","","- C16 H14.5 B Na O7.25 -","- C16 H12 B Na O7.25 -","- C128 H96 B8 Na8 O58 -","8","2","","Sun, Zhihua; Chen, Tianliang; Cai, Ning-ning; Chen, Jing-wei; Li, Lina; Wang, Yan; Luo, Junhua; Hong, Maochun","Synthesis, growth and characterization of a third-order nonlinear optical crystal based on the borate ester with sodium supporting its structural framework","New Journal of Chemistry","2011","35","12","2804","","10.1039/c1nj20420c","","","0.71073","MoKα","","0.0495","0.0391","","","0.0907","0.097","","","","","","1.03","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7052921","13.8296","0.0005","6.6323","0.0002","35.6388","0.0012","90","","90.16","0.003","90","","3268.85","0.19","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H14 N6 O6 -","- C15 H14 N6 O6 -","- C120 H112 N48 O48 -","8","2","","Hofmann, Katja; Brumm, Susann; Mende, Carola; Nagel, Kevin; Seifert, Andreas; Roth, Isabelle; Schaarschmidt, Dieter; Lang, Heinrich; Spange, Stefan","Solvatochromism and acidochromism of azobenzene-functionalized poly(vinyl amines)","New Journal of Chemistry","2012","36","8","1655","","10.1039/c2nj40313g","","","1.54184","CuKα","","0.0325","0.0283","","","0.0673","0.0683","","","","","","0.995","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053052","19.586","0.002","5.6198","0.0007","13.7767","0.0016","90","","125.672","0.002","90","","1231.9","0.2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","0.5","","Li, Chenyu; Luo, Xiaoliang; Zhao, Weijun; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yuping; Dong, Yong Qiang; Tang, Ben Zhong","Switching the emission of tetrakis(4-methoxyphenyl)ethylene among three colors in the solid state","New Journal of Chemistry","2013","37","6","1696","","10.1039/c3nj00063j","","","0.71073","MoKα","","0.0399","0.0328","","","0.0863","0.0907","","","","","","1.059","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053195","34.3268","0.001","14.1957","0.0003","21.8632","0.0005","90","","112.382","0.002","90","","9851.2","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C53 H55 N7 O6 Zn -","- C50 H42 N6 O2 Zn -","- C400 H336 N48 O16 Zn8 -","8","2","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1356","0.0721","","","0.2011","0.2225","","","","","","1.047","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053688","14.86","0.01","13.641","0.002","15.399","0.007","90","","103.81","0.02","90","","3031","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H26 Mo N2 O7 P -","- C30 H26 Mo N2 O7 P -","- C120 H104 Mo4 N8 O28 P4 -","4","1","","Rancurel, Corinne; Sutter, Jean-Pascal; Le Hoerff, Thierry; Ouahab, Lahcène; Kahn, Olivier","First example of a metal(0) carbonyl complex with a paramagnetic nitronyl nitroxide-substituted triphenylphosphine ligand","New Journal of Chemistry","1998","22","12","1333","","10.1039/a808113a","","","0.71073","MoKα","","0.1332","0.0455","","","0.0938","0.118","","","","","","1.016","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053765","10.102","0.0019","6.318","0.0012","16.512","0.006","90","0.02","92.07","0.02","90","0.016","1053.2","0.5","336","2","336","2","","","","","","","","5","C 1 2 1","C 2y","5","Ampheatmine sulphate","","","- C18 H28 N2 O4 S -","- C18 H28 N2 O4 S -","- C36 H56 N4 O8 S2 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Kaszyńska, Joanna; Rachocki, Adam; Tritt-Goc, Jadwiga; Piślewski, Narcyz; Pietraszko, Adam","The crystal structure and evidence of the phase transition in d-amphetamine sulfate, as studied by X-ray crystallography, DSC and NMR spectroscopy","New Journal of Chemistry","2009","33","9","1894","","10.1039/b815325f","","","0.71073","MoKα","","0.1358","0.0512","","","0.0856","0.0982","","","","","","1.023","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053768","19.839","0.004","14.322","0.003","19.416","0.004","90","","99.75","0.03","90","","5437","2","291","2","291","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C104 H100 Cl10 Fe6 N6 O8 Pd6 -","- C104 H100 Cl10 Fe6 N6 O8 Pd6 -","- C208 H200 Cl20 Fe12 N12 O16 Pd12 -","2","0.5","","Qian, Hengyu; Cui, Xiuling; Tang, Mingsheng; Liu, Chunhui; Liu, Cheng; Wu, Yangjie","Synthesis and structure of heteroannular cyclopalladated chiral ferrocenylimines: theoretical interpretation of the cyclopalladated complexes based on density functional calculations","New Journal of Chemistry","2009","33","3","668","","10.1039/b816826a","","","0.71073","MoKα","","0.065","0.0544","","","0.1087","0.1104","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053794","34.878","0.001","8.5038","0.0002","14.9636","0.0004","90","","110.062","0.001","90","","4168.84","0.19","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","1,2,5,6-Di-O-isopropylidene-alfa-D-3-glucofuranosyl (Rp)-1',2- bis(diphenylphosphino)ferrocene-1-carboxylate","1,2,5,6-Di-O-isopropylidene-alfa-D-3-glucofuranosyl (Rp)-1',2-bis(diphenylphosphino)ferrocene-1-carboxylate","","- C47 H46 Fe O7 P2 -","- C47 H46 Fe O7 P2 -","- C188 H184 Fe4 O28 P8 -","4","1","","Lamač, Martin; Císařová, Ivana; Štěpnička, Petr","Preparation, coordination and catalytic use of planar-chiral monocarboxylated dppf analogues","New Journal of Chemistry","2009","33","7","1549","","10.1039/b901262a","","","0.71073","MoKα","","0.0417","0.0331","","","0.0679","0.0718","","","","","","1.051","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053987","31.0431","0.001","9.7619","0.0003","12.6606","0.0004","90","","95.076","0.002","90","","3821.6","0.2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C39.5 H43 Cl5 Fe N2 O0.5 P Pd -","- C37 H33 Cl4 Fe N2 P Pd -","- C148 H132 Cl16 Fe4 N8 P4 Pd4 -","4","1","","Loxq, Pauline; Debono, Nathalie; Gülcemal, Süleyman; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Çetinkaya, Bekir; Labande, Agnès","Palladium(ii) complexes with planar chiral ferrocenyl phosphane‒(benz)imidazol-2-ylidene ligands","New Journal of Chemistry","2014","38","1","338","","10.1039/c3nj00863k","","","0.71073","MoKα","","0.0326","0.0286","","","0.0732","0.0749","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054051","15.2194","0.0018","11.4434","0.0018","19.218","0.003","90","","90.342","0.004","90","","3347","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H52 Cu2 Mo N16 O5 -","- C72 H52 Cu2 Mo N16 O5 -","- C144 H104 Cu4 Mo2 N32 O10 -","2","0.5","","Shiga, Takuya; Takeo, Mayumi; Iijima, Fumichika; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetic properties of two-dimensional chiral coordination polymers based on a tetradentate chiral ligand","New Journal of Chemistry","2014","38","5","1946","","10.1039/c3nj01128c","","","0.71073","MoKα","","0.0925","0.0564","","","0.1061","0.1395","","","","","","0.856","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054052","14.943","0.007","11.568","0.007","19.366","0.01","90","","90.045","0.019","90","","3348","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H52 Co2 Mo N16 O5 -","- C72 H52 Co2 Mo N16 O5 -","- C144 H104 Co4 Mo2 N32 O10 -","2","0.5","","Shiga, Takuya; Takeo, Mayumi; Iijima, Fumichika; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetic properties of two-dimensional chiral coordination polymers based on a tetradentate chiral ligand","New Journal of Chemistry","2014","38","5","1946","","10.1039/c3nj01128c","","","0.71073","MoKα","","0.245","0.0782","","","0.1442","0.2482","","","","","","0.691","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054133","20.1947","0.0008","14.0122","0.0008","9.4085","0.0005","90","","96.926","0.004","90","","2642.9","0.2","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H34 Cu N2 O4 -","- C32 H34 Cu N2 O4 -","- C128 H136 Cu4 N8 O16 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Woggon, Wolf-D.; Zampese, Jennifer A.","Enantioselective catalysts for the Henry reaction: fine-tuning the catalytic components","New Journal of Chemistry","2009","33","10","2166","","10.1039/b9nj00243j","","","0.71073","MoKα","","0.0403","0.0266","","0.0359","0.0281","0.0265","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054134","20.412","0.004","13.926","0.003","9.4341","0.0019","90","","97.94","0.03","90","","2656","1","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C64 H69.34 Cu1.33 N4 O8 -","- C64 H69.34 Cu1.33 N4 O8 -","- C128 H138.68 Cu2.66 N8 O16 -","2","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Woggon, Wolf-D.; Zampese, Jennifer A.","Enantioselective catalysts for the Henry reaction: fine-tuning the catalytic components","New Journal of Chemistry","2009","33","10","2166","","10.1039/b9nj00243j","","","0.71073","MoKα","","0.0397","0.0396","","","0.1288","0.1289","","","","","","1.127","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054425","16.624","0.004","7.8685","0.0014","28.101","0.005","90","","102.325","0.007","90","","3591.1","1.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C30 H38 N3 Ni S8 -","- C30 H38 N3 Ni S8 -","- C120 H152 N12 Ni4 S32 -","4","1","","Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique","The near infra red (NIR) chiroptical properties of nickel dithiolene complexes","New J. Chem.","2015","39","1","122","","10.1039/C4NJ01244E","","x-ray","0.71073","MoKα","","0.125","0.0635","","","0.1283","0.156","","","","","","0.996","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054546","13.0391","0.0005","6.8246","0.0003","15.9891","0.001","90","","92.828","0.005","90","","1421.08","0.12","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H28 Br2 F8 N4 -","- C26 H28 Br2 F8 N4 -","- C52 H56 Br4 F16 N8 -","2","0.5","","Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari","Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions","New J. Chem.","2015","39","1","746","","10.1039/C4NJ01654H","","","0.71073","MoKα","","0.0461","0.0382","","","0.0967","0.1038","","","","","","1.052","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054623","31.232","0.008","8.842","0.002","18.831","0.005","90","","95.848","0.007","90","","5173","2","103.5","","103.5","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H59 N7 O10 -","- C39 H59 N7 O10 -","- C156 H236 N28 O40 -","4","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.1034","0.0767","","","0.2191","0.2378","","","","","","1.037","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054694","28.9383","0.0008","5.1419","0.0001","18.4128","0.0005","90","","120.323","0.001","90","","2364.96","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-Gamma-S-Val-Gamma-R-Val-OMe","t-Butyloxycarbonyl-gamma-S-Valyl-gamma-R-Valyl-methyl ester","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C80 H152 N8 O20 -","4","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0522","0.0499","","","0.1485","0.1496","","","","","","1.143","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054745","9.3492","0.0009","12.426","0.0005","6.436","0.0007","90","","129.421","0.017","90","","577.59","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H8 N3 O6 V -","- C10 H8 N3 O6 V -","- C20 H16 N6 O12 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0232","0.0226","","","0.0535","0.0548","","","","","","1.102","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054964","20.434","0.004","9.921","0.002","14.065","0.003","90","","133.25","0.03","90","","2076.8","1.3","291","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H14 N3 O4 S Zn -","- C22 H14 N3 O4 S Zn -","- C88 H56 N12 O16 S4 Zn4 -","4","1","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0691","0.0561","","","0.1207","0.1263","","","","","","1.096","","","","has coordinates","155210","2020-10-21","18:00:00",""
"7055317","29.4247","0.0016","5.29675","0.0003","7.49392","0.00045","90","","95.5986","0.0029","90","","1162.4","0.12","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","[Zn(Gly-L-Phe)2]","catena-(bis(glycyl-L-phenylalaninato))zinc(ii)","zinc(II) di(glycylphenylalaninate)","- C22 H26 N4 O6 Zn -","- C22 H26 N4 O6 Zn -","- C44 H52 N8 O12 Zn2 -","2","0.5","","Puškarić, Andreas; Halasz, Ivan; Gredičak, Matija; Palcic, Ana; Bronic, Josip","Synthesis and structure characterization of zinc and cadmium dipeptide coordination polymers","New J. Chem.","2016","","","","","10.1039/C5NJ03001C","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0303","","3.549","","","","","","","has coordinates","174602","2020-10-21","18:00:00",""
"7055318","30.4985","0.0018","5.34094","0.00039","7.63724","0.00045","90","","111.372","0.0027","90","","1158.49","0.13","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","[Cd(Gly-L-Phe)2]","catena-(bis(glycyl-L-phenylalaninato))cadmium(ii)","Cd(GlyPhe)2","- C22 H26 Cd N4 O6 -","- C22 H26 Cd N4 O6 -","- C44 H52 Cd2 N8 O12 -","2","0.5","","Puškarić, Andreas; Halasz, Ivan; Gredičak, Matija; Palcic, Ana; Bronic, Josip","Synthesis and structure characterization of zinc and cadmium dipeptide coordination polymers","New J. Chem.","2016","","","","","10.1039/C5NJ03001C","powder diffraction","x-ray","1.5406","CuKα","","0.0454","","","","","","","","4.561","","","","","","","has coordinates","174602","2020-10-21","18:00:00",""
"7055321","18.1249","0.0007","12.1064","0.0005","17.7333","0.0007","90","","107.301","0.001","90","","3715.1","0.3","293","2","293.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C56 H75 Co6 N5 Na2 O39 -","- C56 H75 Co6 N5 Na2 O39 -","- C112 H150 Co12 N10 Na4 O78 -","2","0.5","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71075","MoKα","","0.0902","0.074","","","0.1756","0.188","","","","","","1.073","","","","has coordinates,has disorder","181775","2020-10-21","18:00:00",""
"7055352","11.4153","0.0008","6.849","0.0007","12.4992","0.0012","90","","110.314","0.006","90","","916.45","0.15","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 Se -","- C20 H30 Se -","- C40 H60 Se2 -","2","0.5","","Boualy, Brahim; El Houssame, Soufiane; Sancineto, Luca; Santi, Claudio; Ait Ali, Mustapha; Stoeckli-Evans, Helen; El Firdoussi, Larbi","A mild and efficient method for the synthesis of a new optically active diallyl selenide and its catalytic activity in the allylic chlorination of natural terpenes","New J. Chem.","2016","40","4","3395","","10.1039/C5NJ02797G","","","0.71073","MoKα","","0.02","0.0195","","","0.0457","0.0458","","","","","","1.003","","","","has coordinates","182772","2020-10-21","18:00:00",""
"7055520","21.9801","0.001","13.6765","0.0006","25.5651","0.0011","90","","102.217","0.002","90","","7511.1","0.6","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H53 N5 O13 Zn2 -","- C72 H53 N5 O13 Zn2 -","- C288 H212 N20 O52 Zn8 -","4","1","","Tanaka, Koichi; Hotta, Naoki; Nagase, Shohei; Yoza, Kenji","Efficient HPLC enantiomer separation using a pillared homochiral metal‒organic framework as a novel chiral stationary phase","New J. Chem.","2016","40","6","4891","","10.1039/C6NJ00090H","","","1.54178","CuKα","","0.0374","0.0353","","","0.089","0.0902","","","","","","1.039","","","","has coordinates,has disorder","183741","2020-10-21","18:00:00",""
"7056193","18.6301","0.0016","5.101","0.0005","16.2579","0.0014","90","","119.173","0.003","90","","1349","0.2","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H30 F2 N0 O4 S2 Sn -","- C24 H30 F2 O4 S2 Sn -","- C48 H60 F4 O8 S4 Sn2 -","2","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0667","0.0641","","","0.1684","0.1722","","","","","","1.038","","","","has coordinates,has disorder","196743","2020-10-21","18:00:00",""
"7056426","28.471","0.0014","16.1958","0.0008","11.4266","0.0005","90","","104.318","0.001","90","","5105.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C96 H89.4 Cd5 N8 O45.7 -","- C96 H89.4 Cd5 N8 O45.71 -","- C192 H178.8 Cd10 N16 O91.42 -","2","0.5","","Zhang, Jun; Su, Jian; Zhao, Meng; Xie, Wenjie; Jin, Jie; Xie, Fazhi; Song, Xiaojie; Zhang, Sheng-Yi; Wu, Jieying; Tian, Yupeng","A series of novel Cadmium(II) coordination polymers with photoluminescence and ferroelectric properties based on zwitterionic ligand","New J. Chem.","2017","","","","","10.1039/C7NJ00524E","","","0.71073","MoKα","","0.0637","0.0591","","","0.1648","0.1694","","","","","","1.042","","","","has coordinates,has disorder","198689","2020-10-21","18:00:00",""
"7056565","12.6657","0.001","10.6594","0.0009","11.1921","0.0009","90","","115.08","0.002","90","","1368.57","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H24 Br0.57 F3.43 -","- C40 H24 Br0.57 F3.43 -","- C80 H48 Br1.14 F6.86 -","2","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0451","0.0359","","","0.0901","0.0938","","","","","","1.067","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056566","12.6575","0.0011","10.6532","0.0009","11.1899","0.001","90","","115.098","0.002","90","","1366.4","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H24 Br0.55 F3.45 -","- C40 H24 Br0.55 F3.45 -","- C80 H48 Br1.1 F6.9 -","2","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0474","0.0344","","","0.0761","0.0815","","","","","","1.034","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056597","17.5339","0.0013","16.7657","0.0012","12.7103","0.0009","90","","132.795","0.001","90","","2741.7","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H50 Cd2 N8 O8 -","- C60 H50 Cd2 N8 O8 -","- C120 H100 Cd4 N16 O16 -","2","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0188","0.018","","","0.0507","0.0515","","","","","","1.0334","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7056782","31.2006","0.0017","10.1101","0.0005","5.9607","0.0004","90","","93.505","0.004","90","","1876.73","0.19","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H21 N O5 S -","- C16 H21 N O5 S -","- C64 H84 N4 O20 S4 -","4","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0537","0.0492","","","0.1182","0.121","","","","","","1.097","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056914","28.422","0.0006","9.0408","0.0002","20.3084","0.0004","90","","99.281","0.002","90","","5150.09","0.19","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H112 Cu3 N12 O6 -","- C120 H112 Cu3 N12 O6 -","- C240 H224 Cu6 N24 O12 -","2","0.5","","Saini, Anoop Kumar; Saraf, Mohit; Kumari, Pratibha; Mobin, Shaikh M.","A highly selective and sensitive chemosensor forl-tryptophan by employing a Schiff based Cu(ii) complex","New Journal of Chemistry","2018","42","5","3509","","10.1039/C7NJ04595F","","","0.71073","MoKα","","0.0864","0.067","","","0.1637","0.1801","","","","","","1.031","","","","has coordinates,has disorder","230252","2020-10-21","18:00:00",""
"7057096","23.295","0.004","13.619","0.002","14.688","0.002","90","","101.934","0.008","90","","4559.1","1.2","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H30 I6 N12 -","- C36 H30 I6 N12 -","- C144 H120 I24 N48 -","4","1","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.0784","0.0418","","","0.0634","0.0713","","","","","","1.04","","","","has coordinates","230377","2020-10-21","18:00:00",""
"7057182","37.38","0.003","11.631","0.0011","14.8401","0.0012","90","","94.398","0.001","90","","6433","1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H23.33 N2 O12 Ru3 -","- C34 H23.3333 N2 O12 Ru3 -","- C204 H140 N12 O72 Ru18 -","6","1.5","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.1602","0.0775","","","0.1711","0.1839","","","","","","1.083","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057329","22.693","0.004","7.2234","0.0011","14.941","0.003","90","","131.136","0.008","90","","1844.6","0.6","115","","115","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H28 B11 N -","- C11 H28 B11 N -","- C44 H112 B44 N4 -","4","1","","Švec, Petr; Cattey, Hélène; Růžičková, Zdeňka; Holub, Josef; Růžička, Aleš; Plasseraud, Laurent","Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and methanol: solution and solid-state characterization of an unexpected diorganotin(iv)-oxo cluster","New Journal of Chemistry","2018","42","10","8253","","10.1039/C7NJ05058E","","x-ray","0.71073","MoKα","","0.0432","0.039","","","0.0937","0.0966","","","","","","1.024","","","","has coordinates","230183","2020-10-21","18:00:00",""
"7057789","18.196","0.019","5.857","0.006","14.535","0.016","90","","128.41","0.02","90","","1214","2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,E)-2-(((1-phenylethyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71076","MoKα","","0.0461","0.04","","","0.0947","0.0997","","","","","","1.063","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057791","18.227","0.018","5.852","0.004","14.53","0.02","90","","128.3","0.09","90","","1216","3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S,E)-2-(((1-phenylethyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71076","MoKα","","0.0585","0.0453","","","0.1013","0.1118","","","","","","1.125","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7058412","48.634","0.006","5.7205","0.0003","13.3273","0.0009","90","","95.447","0.008","90","","3691.1","0.6","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H23 Fe N3 O5 -","- C19 H23 Fe N3 O5 -","- C152 H184 Fe8 N24 O40 -","8","2","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.056","0.051","","","0.1354","0.1422","","","","","","1.026","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058667","17.373","0.003","5.5303","0.0011","40.002","0.008","90","","95.254","0.004","90","","3827.2","1.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N2 O9 S -","- C36 H64 N2 O9 S -","- C144 H256 N8 O36 S4 -","4","1","","Nuthanakanti, Ashok","Cytidine and ribothymidine nucleolipids synthesis, organogelation, and selective anion and metal ion responsiveness","New Journal of Chemistry","2019","43","34","13447","","10.1039/C9NJ03276B","","","0.71073","MoKα","","0.0718","0.0599","","","0.1545","0.1625","","","","","","1.043","","","","has coordinates","224970","2020-10-21","18:00:00",""
"7058668","21.4881","0.0014","5.3392","0.0003","38.114","0.002","90","","102.648","0.003","90","","4266.7","0.4","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","nucleolipid","","- C41 H73 N3 O9 -","- C41 H73 N3 O9 -","- C164 H292 N12 O36 -","4","1","","Nuthanakanti, Ashok","Cytidine and ribothymidine nucleolipids synthesis, organogelation, and selective anion and metal ion responsiveness","New Journal of Chemistry","2019","43","34","13447","","10.1039/C9NJ03276B","","","1.54178","CuKα","","0.1044","0.0886","","","0.2435","0.2516","","","","","","1.648","","","","has coordinates","224970","2020-10-21","18:00:00",""
"7058828","21.337","0.003","5.4905","0.0009","12.445","0.002","90","","103.196","0.003","90","","1419.4","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","5-FC, 5-Fluorocytosine, Fluorocytosine, FCDNS","5-Fluorocytosinium 3,5-dinitrosalicylate monohydrate","","- C11 H10 F N5 O9 -","- C11 H10 F N5 O9 -","- C44 H40 F4 N20 O36 -","4","1","","Souza, Matheus S.; Diniz, Luan F.; Alvarez, Natalia; da Silva, Cecília C. P.; Ellena, Javier","Supramolecular synthesis and characterization of crystalline solids obtained from the reaction of 5-fluorocytosine with nitro compounds","New Journal of Chemistry","2019","43","40","15924","","10.1039/C9NJ03329G","","","0.71073","MoKα","","0.0333","0.0306","","","0.0808","0.0832","","","","","","1.07","","","","has coordinates","224869","2020-10-21","18:00:00",""
"7058871","11.9146","0.0013","6.9435","0.0008","26.361","0.003","90","","91.921","0.01","90","","2179.6","0.4","173","0.15","173","0.15","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H34 N2 O2 -","- C24 H34 N2 O2 -","- C96 H136 N8 O8 -","4","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.0815","0.0629","","","0.157","0.1717","","","","","","1.054","","","","has coordinates,has disorder","224768","2020-10-21","18:00:00",""
"7058873","7.3836","0.0005","21.3958","0.0014","32.4582","0.0019","90","","94.771","0.005","90","","5109.9","0.6","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H38 N2 O3 -","- C28 H38 N2 O3 -","- C224 H304 N16 O24 -","8","2","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.1026","0.068","","","0.1513","0.1789","","","","","","1.034","","","","has coordinates,has disorder","224768","2020-10-21","18:00:00",""
"7058968","13.169","0.0006","6.8675","0.0003","15.9197","0.0007","90","","101.802","0.002","90","","1409.31","0.11","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H42 N0 O2 -","- C34 H42 O2 -","- C68 H84 O4 -","2","0.5","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0812","0.0745","","","0.1899","0.1976","","","","","","1.102","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7059085","42.6162","0.0016","23.0136","0.0009","21.8331","0.0008","90","","117.46","0.002","90","","19000.3","1.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C256 H239 Ce4 N57 O42 -","- C256 H219 Ce4 N57 O42 -","- C512 H438 Ce8 N114 O84 -","2","0.5","","Zhang, Jing; Yu, Hao; Zhang, Caixia; He, Cheng; Duan, Chunying","Cerium-based M4L4 tetrahedrons containing hydrogen bond groups as functional molecular flasks for selective reaction prompting","New J. Chem.","2014","38","7","3137","","10.1039/C4NJ00062E","","","0.71073","MoKα","","0.1221","0.0694","","","0.1497","0.161","","","","","","1.021","","","","has coordinates,has disorder","232806","2020-10-21","18:00:00",""
"7059544","19.1994","0.0004","24.9081","0.0005","14.312","0.0003","90","","120.352","0.002","90","","5906.2","0.2","100","0.1","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H174 Co2 N4 O16 -","- C120 H174 Co2 N4 O16 -","- C240 H348 Co4 N8 O32 -","2","0.5","","Wang, Jin-Hua; Dai, Jing-Wei; Li, Zhao-Yang; Yamashita, Masahiro","Strong antiferromagnetic coupling of the cobalt(ii)‒semiquinone radical in a dinuclear complex with 2,2′-bipyrimidine ligands","New Journal of Chemistry","2020","44","20","8471","8476","10.1039/D0NJ00767F","","","1.54178","CuKα","","0.0603","0.0577","","","0.1493","0.1512","","","","","","1.047","","","","has coordinates,has disorder","257802","2020-10-21","18:00:00",""
"7059545","19.2493","0.0004","25.2702","0.0005","14.4843","0.0003","90","","120.098","0.002","90","","6095.7","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H174 Co2 N4 O16 -","- C120 H174 Co2 N4 O16 -","- C240 H348 Co4 N8 O32 -","2","0.5","","Wang, Jin-Hua; Dai, Jing-Wei; Li, Zhao-Yang; Yamashita, Masahiro","Strong antiferromagnetic coupling of the cobalt(ii)‒semiquinone radical in a dinuclear complex with 2,2′-bipyrimidine ligands","New Journal of Chemistry","2020","44","20","8471","8476","10.1039/D0NJ00767F","","","1.54178","CuKα","","0.075","0.0693","","","0.2099","0.2168","","","","","","1.102","","","","has coordinates,has disorder","257802","2020-10-21","18:00:00",""
"7059922","21.87","0.004","13.09","0.003","23.56","0.005","90","","90.14","0.03","90","","6745","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76.5 H59 Cl0.75 Cu4 N4 O8 -","- C76.5 H59 Cl0.75 Cu4 N4 O8 -","- C306 H236 Cl3 Cu16 N16 O32 -","4","1","","Ahmed, Naushad; Tripathi, Shalini; Sarkar, Arup; Ansari, Kamal Uddin; Das, Chinmoy; Prajesh, Neetu; Horike, Satoshi; Boomishankar, Ramamoorthy; Shanmugam, Maheswaran","Chiral tetranuclear copper(ii) complexes: synthesis, optical and magnetic properties","New Journal of Chemistry","2020","44","39","16845","16855","10.1039/D0NJ02856H","","","0.71073","MoKα","","0.099","0.0735","","","0.2007","0.222","","","","","","1.046","","","","has coordinates,has disorder","258912","2020-11-06","12:46:21",""
"7060732","22.6435","0.0014","6.4529","0.0004","9.0191","0.0006","90","","92.107","0.006","90","","1316.95","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 I3 N O3 Pb -","- C3 H10 I3 N O3 Pb -","- C12 H40 I12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.062","0.0563","","","0.1515","0.156","","","","","","1.107","","","","has coordinates","268843","2021-09-06","11:58:52",""
"7060733","21.836","0.004","6.0904","0.0011","8.79","0.003","90","","92.41","0.02","90","","1167.9","0.5","296","","296","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 Br3 N O3 Pb -","- C3 H10 Br3 N O3 Pb -","- C12 H40 Br12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0513","0.0436","","","0.0981","0.1037","","","","","","1.061","","","","has coordinates,has disorder","268843","2021-09-06","11:58:53",""
"7060734","22.56","0.003","6.443","0.0005","8.9978","0.0007","90","","92.204","0.009","90","","1306.9","0.2","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 I3 N O3 Pb -","- C3 H10 I3 N O3 Pb -","- C12 H40 I12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0946","0.0873","","","0.257","0.2665","","","","","","1.086","","","","has coordinates","268843","2021-09-06","11:58:53",""
"7060735","21.8559","0.0018","6.0868","0.0006","8.7692","0.0008","90","","93.177","0.008","90","","1164.8","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 Br3 N O3 Pb -","- C3 H10 Br3 N O3 Pb -","- C12 H40 Br12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0694","0.0603","","","0.1401","0.1506","","","","","","1.049","","","","has coordinates,has disorder","268843","2021-09-06","11:58:53",""
"7060926","28.021","0.002","7.3169","0.0005","10.7673","0.0008","90","","101.809","0.002","90","","2160.9","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H14 Fe N2 -","- C12 H14 Fe N2 -","- C96 H112 Fe8 N16 -","8","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.058","0.0534","","","0.1344","0.1366","","","","","","1.182","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7061233","15.0093","0.0004","4.0809","0.0001","11.0604","0.0003","90","","125.104","0.001","90","","554.24","0.03","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H8 Hg N2 S2 -","- C10 H8 Hg N2 S2 -","- C20 H16 Hg2 N4 S4 -","2","0.5","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","0.71073","MoKα","","0.0222","0.0222","","","0.0606","0.0606","","","","","","0.718","","","","has coordinates","273389","2022-03-04","22:19:26",""
"7061376","7.259","0.004","7.067","0.004","8.126","0.004","90","","101.221","0.015","90","","408.9","0.4","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C5 H5 N3 O7 -","- C5 H5 N3 O7 -","- C10 H10 N6 O14 -","2","0.5","","Wang, Qian; Lu, Ming","Carbon skeleton: route to investigate high-performance insensitive energetic materials","New Journal of Chemistry","2022","46","14","6690","6693","10.1039/D1NJ05168G","","","0.71073","MoKα","","0.0901","0.0609","","","0.1282","0.1395","","","","","","1.06","","","","has coordinates","275027","2022-05-05","20:46:24",""
"7061391","20.723","0.005","13.892","0.005","11.255","0.005","90","0.005","122.265","0.005","90","0.005","2739.8","1.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H34 Cl4 Co2 N24 O22 -","- C36 H34 Cl4 Co2 N24 O22 -","- C72 H68 Cl8 Co4 N48 O44 -","2","0.5","","Dai, Xin; Jin, Xian-Yi; Gao, Rui-Han; Ge, Qing-Mei; Chen, Kai; Jiang, Nan; Cong, Hang; Tao, Zhu; Liu, Mao","Controllable synthesis of Co nanoparticles with the assistance of cucurbit[6]uril and its efficient photoelectrochemical catalysis in water splitting on a g-C3N4 photoanode","New Journal of Chemistry","2022","46","14","6738","6746","10.1039/D2NJ00036A","","","0.71069","MoKα","","0.172","0.1539","","","0.34","0.3481","","","","","","1.025","","","","has coordinates","275025","2022-05-05","20:45:54",""
"7061556","19.3502","0.0003","11.1444","0.0001","14.4386","0.0002","90","","120.593","0.001","90","","2680.23","0.07","150","2","150.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H64 N9 O27 Tb2 -","- C39 H64 N9 O27 Tb2 -","- C78 H128 N18 O54 Tb4 -","2","0.5","","Chen, Bao-Li; Sun, Yan-Mei; Xiang, Hua; Lin, Mu-Xiong; Li, Jian-Han; Huang, Yong-Liang","A thermostable terbium(iii) complex with high fluorescence quantum yields","New Journal of Chemistry","2022","46","23","11021","11024","10.1039/D2NJ01250B","","","1.54178","CuKα","","0.0254","0.0251","","","0.0669","0.0673","","","","","","1.054","","","","has coordinates,has disorder","276662","2022-07-06","08:28:00",""
"7061578","13.6819","0.0002","9.2677","0.0001","24.7845","0.0004","90","","100.183","0.001","90","","3093.17","0.08","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18.9 H32 Cl6 N2 O7.1 Te2 -","- C18.9 H32 Cl6 N2 O7.1 Te2 -","- C75.6 H128 Cl24 N8 O28.4 Te8 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","","1.54178","CuKα","","0.0636","0.0635","","","0.1668","0.1669","","","","","","1.081","","","","has coordinates,has disorder","275847","2022-06-07","00:27:46",""
"7061581","32.234","0.006","5.615","0.0011","7.61","0.0015","90","","100.28","0.03","90","","1355.3","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 Cl2 N O3 Te -","- C10 H15 Cl2 N O3 Te -","- C40 H60 Cl8 N4 O12 Te4 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","","0.71073","MoKα","","0.0282","0.0281","","","0.0664","0.0664","","","","","","1.112","","","","has coordinates","275847","2022-06-07","00:27:46",""
"7061604","37.4048","0.0008","4.4617","0.0001","15.4153","0.0004","90","","96.692","0.002","90","","2555.12","0.1","169.99","0.13","169.99","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H26 N3 O2 -","- C26 H26 N3 O2 -","- C104 H104 N12 O8 -","4","1","","Fu, Peng; Yan, Qing; Wang, Sheng; Wu, Hanlun; Cao, Derong","A visible-light-gated donor–acceptor Stenhouse adduct chemosensor: synthesis, photochromism and naked-eye colorimetric/fluorometric sensing of Al3+ and Zn2+","New Journal of Chemistry","2022","46","26","12600","12608","10.1039/D2NJ00969B","","x-ray","1.54184","CuKα","","0.0817","0.0769","","","0.2305","0.236","","","","","","1.075","","","","has coordinates","276669","2022-07-06","08:31:16",""
"7062035","22.1155","0.0011","8.7469","0.0004","8.971","0.0004","90","","102.75","0.0015","90","","1692.58","0.14","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H27 F3 O2 -","- C17 H27 F3 O2 -","- C68 H108 F12 O8 -","4","1","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.0469","0.0353","","","0.0817","0.0873","","","","","","1.031","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7062037","28.9014","0.0011","6.6072","0.0003","20.4393","0.0008","90","","129.272","0.0011","90","","3021.5","0.2","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H23 F3 O2 -","- C15 H23 F3 O2 -","- C120 H184 F24 O16 -","8","2","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.0549","0.0396","","","0.0911","0.0988","","","","","","1.025","","","","has coordinates,has disorder","280206","2023-01-06","09:55:31",""
"7062082","22.809","0.012","4.548","0.002","13.993","0.007","90","","127.01","0.014","90","","1159.1","1","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H18 Cl2 N2 O2 S2 Zn -","- C24 H18 Cl2 N2 O2 S2 Zn -","- C48 H36 Cl4 N4 O4 S4 Zn2 -","2","0.5","","Roy, Sourav Singha; Sarkar, Sriparna; Antharjanam, P. K. Sudhadevi; Chakraborty, Debashis","Mononuclear Zn(ii) compounds supported by iminophenolate proligands binding in the bidentate (N, O) and tridentate (N, O, S) coordination mode: synthesis, characterization and polymerization studies","New Journal of Chemistry","2023","47","2","635","652","10.1039/D2NJ03982F","","","0.71073","MoKα","","0.0546","0.0453","","","0.1152","0.1216","","","","","","1.042","","","","has coordinates,has disorder","281525","2023-03-04","18:33:29",""
"7062253","16.0714","0.0013","10.2764","0.0008","8.3434","0.0007","90","","95.284","0.002","90","","1372.11","0.19","273","2","273.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H28 Cl2 N4 O2 Ru S2 -","- C26 H28 Cl2 N4 O2 Ru S2 -","- C52 H56 Cl4 N8 O4 Ru2 S4 -","2","0.5","","Chandra, Anushri; Dhibar, Papu; Dutta, Pragna; Paul, Piyali; Bhattacharya, Samaresh","N-(Aryl)pyrrole-2-aldimine complexes of ruthenium: synthesis, structure, and spectral and electrochemical properties","New Journal of Chemistry","2023","47","7","3492","3501","10.1039/D2NJ05295D","","","0.71073","MoKα","","0.0137","0.0137","","","0.0362","0.0362","","","","","","1.0289","","","","has coordinates","283409","2023-05-05","03:04:31",""
"7062284","11.4909","0.0006","20.7682","0.0013","12.5771","0.0007","90","","115.248","0.002","90","","2714.7","0.3","120","2","120","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C52 H64 B Cl2 Cu F4 N6 P2 -","- C50 H60 B Cu F4 N6 P2 -","- C100 H120 B2 Cu2 F8 N12 P4 -","2","0.5","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0314","0.0312","","","0.0794","0.0795","","","","","","1.16","","","","has coordinates,has disorder","283419","2023-05-05","03:06:40",""
"7063125","22.688","0.004","5.2784","0.0006","16.099","0.002","90","","105.082","0.017","90","","1861.5","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Bakija, Marija; Peric, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0786","0.0549","","","0.1196","0.1352","","","","","","1.031","","","","has coordinates","291129","2024-04-06","00:42:33",""
"7063130","6.4358","0.0002","8.0804","0.0003","16.438","0.0006","90","","98.198","0.003","90","","846.1","0.05","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C32 H40 N4 O12 -","2","0.5","","Bakija, Marija; Peric, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0488","0.0483","","","0.1476","0.1483","","","","","","1.165","","","","has coordinates","291129","2024-04-06","00:42:36",""
"7063131","6.5044","0.0004","8.0195","0.0006","18.7137","0.0012","90","","95.141","0.006","90","","972.22","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","0.5","","Bakija, Marija; Peric, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0468","0.0416","","","0.1131","0.1413","","","","","","1.179","","","","has coordinates","291129","2024-04-06","00:42:37",""
"7063132","20.892","0.002","4.9926","0.0003","21.517","0.002","90","","111.246","0.012","90","","2091.8","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Bakija, Marija; Peric, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0844","0.0671","","","0.1677","0.195","","","","","","1.06","","","","has coordinates","291129","2024-04-06","00:42:37",""
"7063145","15.6411","0.0015","13.1656","0.001","11.8497","0.0012","90","","90.727","0.009","90","","2439.9","0.4","240","0.1","240","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H50 Cu2 N6 O8 S2 -","- C39 H50 Cu2 N6 O8 S2 -","- C78 H100 Cu4 N12 O16 S4 -","2","0.5","","Ni, Tong; Zhang, Qin; Wang, Xiuyang; Xu, Bin; Zhou, Sheng-Bin; Zhang, Kaiming; Jiang, Weidong","Micelle-Modulated Reactivity of Novel Copper(II) Complexes with Reduced L-Histidine Schiff Bases as Mimic Carboxylesterases","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00486H","","x-ray","1.54184","CuKα","","0.077","0.0634","","","0.1759","0.2008","","","","","","1.078","","","","has coordinates,has disorder","291168","2024-04-11","00:35:29",""
"7063184","14.043","0.0013","10.9134","0.001","10.1076","0.001","90","","116.942","0.003","90","","1380.9","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Samanta, Bidhan Chandra; Das, Arpita; Maity, Ribhu; Sarkar, Tuhin; Das, Priyanka; Brandão, Paula; Maity, Tithi; Sarkar, Keka","Synthesis, Crystal structure, Lipophilicity, Antioxidant, Binding interaction and Antibacterial investigation against Methicillin-Resistant Staphylococcus aureus of Ni(II) Schiff base complex: Combined Theoretical and Experimental Approaches","New Journal of Chemistry","2024","","","","","10.1039/D3NJ05150A","","","0.71073","MoKα","","0.0472","0.0414","","","0.1011","0.1043","","","","","","1.084","","","","has coordinates","291416","2024-04-30","00:31:58",""
"7100064","32.684","0.003","20.741","0.002","8.9393","0.0009","90","","95.263","0.002","90","","6034.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C49 H73 N7 O19 S4 -","- C49 H73 N7 O19 S4 -","- C196 H292 N28 O76 S16 -","4","1","","Bing Gong.; Yu An.; Wen Feng.; Oksana Gerlitz; Lan He.; Kazuhiro Yamato; Lihua Yuan.; Chong Zheng.","Macrocyclic aromatic tetrasulfonamides with a stable cone conformation","Chemical Communications","2005","","","","","10.1039/b503921e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100104","31.133","0.005","17.213","0.005","32.873","0.005","90","0.01","112.94","0.01","90","0.01","16223","6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C108 H194 Cr9 F12 N Ni O37 -","- C108 H194 Cr9 F12 N Ni O37 -","- C432 H776 Cr36 F48 N4 Ni4 O148 -","4","1","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100124","15.226","0.002","12.924","0.002","10.944","0.002","90","","90.157","0.009","90","","2153.6","0.6","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H41 Cl Mn2 N6 O8 -","- C45 H41 Cl Mn2 N6 O8 -","- C90 H82 Cl2 Mn4 N12 O16 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b505092h","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100185","34.11","0.05","6.491","0.009","14.94","0.03","90","","106.88","0.06","90","","3165","8","123.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C70 H24 Cl4 F30 N6 -","- C70 H24 Cl4 F30 N6 -","- C140 H48 Cl8 F60 N12 -","2","0.5","","","","Chemical Communications","2005","","","","","10.1039/b506586k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100261","32.3394","0.0005","22.8698","0.0004","22.8658","0.0006","90","","134.986","0.001","90","","11961.1","0.4","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C239 H262 B8 Cl22 F32 N36 O0 Zn4 -","- C239 H262 B8 Cl22 F32 N36 Zn4 -","- C478 H524 B16 Cl44 F64 N72 Zn8 -","2","0.5","","Mike Ward; Stephen P. Argent; J. Jeffery; T. Riis-Johannessen","Diastereoselective formation and optical activity of an M4L6 cage complex","Chemical Communications","2005","","","","","10.1039/b509239f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100282","20.351","0.004","8.802","0.0018","8.839","0.0018","90","","100.07","0.03","90","","1558.9","0.6","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H48 O10 -","- C28 H48 O10 -","- C56 H96 O20 -","2","0.5","","C. Willis; Conor Barry; Nick Bushby; Jonathan P. H. Charmant; Jon D. Elsworth; John R. Harding","Total synthesis of a diastereomer of the marine natural product clavosolide A","Chemical Communications","2005","","","","","10.1039/b509757f","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100366","19.279","0.0016","6.0518","0.0008","17.189","0.002","90","","99.2","0.008","90","","1979.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 N5 O2 -","- C21 H23 N5 O2 -","- C84 H92 N20 O8 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b417954d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100372","15.354","0.004","6.088","0.0009","14.926","0.002","90","","113.236","0.017","90","","1282","0.4","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H17 O4 -","- C15 H17 O4 -","- C60 H68 O16 -","4","1","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","180105","2020-10-21","18:00:00",""
"7100375","19.378","0.005","24.094","0.006","32.776","0.009","90","","93.963","0.005","90","","15266","7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C109 H194 Fe2.5 O84.5 -","- C109 H144 Fe2.5 O84.5 -","- C436 H576 Fe10 O338 -","4","1","","Yu Liu; Hai-Bin Song; Heng-Yi Zhang; Rui-Qin Zhong","A unique tetramer of 4:5 b-cyclodextrin-ferrocene in the solid state","Chemical Communications","2005","","","","","10.1039/b418220k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100456","20.2834","0.0012","8.1769","0.0005","12.8766","0.0007","90","","128.648","0.001","90","","1667.94","0.17","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H36 Cl2 Cu N4 O7 -","- C32 H36 Cl2 Cu N4 O7 -","- C64 H72 Cl4 Cu2 N8 O14 -","2","0.5","","Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias","Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules","Chemical Communications","2005","","","","","10.1039/b501642h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100457","20.1329","0.0017","8.0328","0.0006","12.7987","0.0013","90","","128.29","0.002","90","","1624.6","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H36 Cl2 Cu N4 O7 -","- C32 H36 Cl2 Cu N4 O7 -","- C64 H72 Cl4 Cu2 N8 O14 -","2","0.5","","Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias","Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules","Chemical Communications","2005","","","","","10.1039/b501642h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100853","13.0227","0.0003","15.7828","0.0005","13.2204","0.0005","90","","107.465","0.001","90","","2591.99","0.14","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","(aquo-(1,2-bis 4-pyridylethane)copper(ii)) (bis(aquo)tetrakis(4-sulfonatopyridine)copper(ii)","","","- C44 H42 Cu2 N8 O16 S4 -","- C44 H42 Cu2 N8 O16 S4 -","- C88 H84 Cu4 N16 O32 S8 -","2","0.5","","George Shimizu; Leslie J. May","Mutual structure-directing effects of a non-interpenetrated square grid coordination polymer and its complementary complex anion net","Chemical Communications","2005","","","","","10.1039/b417095d","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100855","42.555","0.007","5.3195","0.0009","12.78","0.002","90","","103.405","0.004","90","","2814.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","BF2 chelated (3,5-Diphenyl-1H-pyrrol-2-yl)-(3-(4- dimethylamino-2,6 -dimethylphenyl)-5-phenylpyrrol-2-ylidene)-amine","","","- C36 H31 B F2 N4 -","- C36 H31 B F2 N4 -","- C144 H124 B4 F8 N16 -","4","1","","O. Donal; John Killoran","Impact of a Conformationally Restricted Receptor on the BF2 Chelated Azadipyrromethene Fluorosensing Platform","Chemical Communications","2006","","","","","10.1039/b513878g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100925","26.268","0.0006","18.9292","0.0005","16.8729","0.0004","90","","118.462","0.001","90","","7375.7","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C108 H151 Fe9 N12 O39 P8 -","- C108 H151.004 Fe9 N12 O39.002 P8 -","- C216 H302.008 Fe18 N24 O78.004 P16 -","2","0.5","","Li-Min Zheng.; Silvio Decurtins; Wenxin Du.; Yi-Zhi Li.; Y.-S.Ma; You Song.; O. Waldmann; Jun-Jie Wang.; Xin-Quan Xin.; H.-C. Yao","An iron(III) phosphonate cluster containing a nonanuclear ring","Chemical Communications","2006","","","","","10.1039/b600763e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7101014","26.041","0.003","20.515","0.002","26.199","0.003","90","","110.125","0.003","90","","13142","2","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C86 H160 F8 Fe8 N O32 -","- C86 H160 F8 Fe8 N O32 -","- C344 H640 F32 Fe32 N4 O128 -","4","1","","Richard Winpenny; H. Gudel; F. K. Larsen; Rebecca H. Laye; E. McInnes; Chris Muryn; J. Overgaard; Eva Rentschler; Veronica Sanchez; S. J. Teat; Grigore A. Timco; Oliver Waldmann","A Family of Heterometallic Wheels Containing Potentially Fourteen Hundred Siblings","Chemical Communications","2005","","","","","10.1039/b416770h","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101131","11.2193","0.0017","18.897","0.003","16.872","0.003","90","","106.173","0.003","90","","3435.6","0.9","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H92 N8 Ru2 S2 Si2 -","- C66.989 H52 N8 Ru2 S2 Si2 -","- C133.978 H104 N16 Ru4 S4 Si4 -","2","0.5","","Angel Kaifer; Tong Ren; David R. Sobransingh; Guo-Lin Xu; Jie-Wen Ying","Sulfide-capped Wire-like Metallaynes As Connectors for Au Nanoparticle Assemblies","Chemical Communications","2005","","3","","","10.1039/b412336k","","","0.71073","MoKα","","0.0691","0.0405","","","0.0951","0.1143","","","","","","1.059","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101241","17.1297","0.0003","8.2098","0.0002","19.4751","0.0004","90","","100.074","0.0008","90","","2696.6","0.1","190","","190","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H34 N2 O -","- C33 H34 N2 O -","- C132 H136 N8 O4 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Goddard, Euan C.; Kruchinin, Dennis; Roberts, Paul M.; Rodriguez-Solla, Humberto; Smith, Andrew D.","Lithium amide conjugate addition for the asymmetric synthesis of 3-aminopyrrolidines","Chemical Communications (Cambridge, United Kingdom)","2006","","25","2664","2666","10.1039/b604835h","","","0.71073","MoKα","","0.0373","0.0321","","0.035","0.0325","0.0325","","","","","","1.1889","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101356","29.527","0.005","6.3638","0.0012","14.506","0.002","90","","92.929","0.013","90","","2722.1","0.8","198.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H30 F3 N2 O5 -","- C28 H30 F3 N2 O5 -","- C112 H120 F12 N8 O20 -","4","1","","Takashi Ishihara; Tsutomu Konno; Taichi Shimada; Masamitsu Yoshioka","First Highly Stereoselective Synthesis of anti-alpha-Trifluoromethyl-beta-amino Acid Derivatives","Chemical Communications","2006","","34","","","10.1039/b603882d","","","1.54178","CuKα","","","0.0398","","","","0.1124","","","","","","1.021","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101581","40.32","0.02","12.99","0.006","22.83","0.012","90","","117.67","0.008","90","","10590","9","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C144 H96 Mn16 N66 O30 -","- C144 H96 Mn16 N66 O30 -","- C288 H192 Mn32 N132 O60 -","2","0.5","","L.Thompson; L.N.Dawe; S.Dey","A self-assembled hexa-decanuclear 4 x [2x2] Mn(II)16 square grid from a pyridazine bis hydrazone ligand synthesis, structure and magnetism","Chemical Communications","2006","","47","","","10.1039/b611267f","","","0.7107","MoKα","","0.095","0.0868","","","0.233","0.2446","","","","","","1.022","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101707","24.932","0.006","8.345","0.003","10.856","0.003","90","","108.65","0.02","90","","2140.3","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H24.5 N2 O2.25 S -","- C23 H24 N2 O2.25 S -","- C92 H96 N8 O9 S4 -","4","1","","Betson, Mark S; Bracegirdle, Ann; Clayden, Jonathan; Helliwell, Madeleine; Lund, Andrew; Pickworth, Mark; Snape, Timothy J; Worrall, Christopher P","Achieving conformational control over C-C, C-N and C-O bonds in biaryls, N,N'-diarylureas and diaryl ethers: advantages of a relay axis.","Chemical communications (Cambridge, England)","2007","","7","754","756","10.1039/b614618j","","","0.71073","MoKα","","0.0997","0.0425","","","0.0761","0.0955","","","","","","0.802","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101836","18.165","0.004","5.1771","0.0009","22.063","0.005","90","","108.12","0.03","90","","1972","0.7","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21.5 N2 O5.25 P -","- C21 H21 N2 O5.25 P -","- C84 H84 N8 O21 P4 -","4","1","","Ropartz, Loïc; Meeuwenoord, Nico J; van der Marel, Gijsbert A; van Leeuwen, Piet W N M; Slawin, Alexandra M Z; Kamer, Paul C J","Phosphine containing oligonucleotides for the development of metallodeoxyribozymes.","Chemical communications (Cambridge, England)","2007","","15","1556","1558","10.1039/b617871e","","","0.71073","MoKα","","0.0622","0.0527","","","0.1244","0.1352","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102255","16.565","0.01","12.021","0.008","9.812","0.006","90","","91.81","0.02","90","","1953","2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C80 H76 Cl4 N8 O16 -","4","1","","Liang, Yuxue; Rowland, Emily B; Rowland, Gerald B; Perman, Jason A; Antilla, Jon C","VAPOL phosphoric acid catalysis: the highly enantioselective addition of imides to imines.","Chemical communications (Cambridge, England)","2007","","43","4477","4479","10.1039/b709276h","","","0.71073","MoKα","","0.0818","0.0764","","","0.1869","0.193","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102256","16.534","0.006","12.015","0.004","9.785","0.004","90","","91.86","0.006","90","","1942.7","1.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C80 H76 Cl4 N8 O16 -","4","1","","Liang, Yuxue; Rowland, Emily B; Rowland, Gerald B; Perman, Jason A; Antilla, Jon C","VAPOL phosphoric acid catalysis: the highly enantioselective addition of imides to imines.","Chemical communications (Cambridge, England)","2007","","43","4477","4479","10.1039/b709276h","","","0.71073","MoKα","","0.0792","0.0644","","","0.1554","0.1688","","","","","","0.848","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102821","37.128","0.005","8.4977","0.0011","7.3472","0.0009","90","","96.026","0.002","90","","2305.2","0.5","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Absolute asymmetric photocyclization in chiral diarylethene co-crystals with octafluoronaphthalene","Chemical Communications (Cambridge, United Kingdom)","2008","","3","335","337","10.1039/b713694c","","","0.71073","MoKα","","0.0553","0.0528","","","0.1421","0.1448","","","","","","1.051","","","","has coordinates,has disorder","210606","2020-10-21","18:00:00",""
"7102822","37.136","0.003","8.507","0.0008","7.3452","0.0006","90","","96.027","0.001","90","","2307.7","0.3","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C55 H22 F22 S2 -","- C55 H22 F22 S2 -","- C110 H44 F44 S4 -","2","0.5","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Absolute asymmetric photocyclization in chiral diarylethene co-crystals with octafluoronaphthalene","Chemical Communications (Cambridge, United Kingdom)","2008","","3","335","337","10.1039/b713694c","","","0.71073","MoKα","","0.0588","0.0572","","","0.1522","0.1541","","","","","","1.11","","","","has coordinates,has disorder","210606","2020-10-21","18:00:00",""
"7102943","17.7928","0.0019","6.6811","0.0007","10.9352","0.0012","90","","100.069","0.003","90","","1279.9","0.2","90","1","90","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H12 Br N -","- C16 H12 Br N -","- C64 H48 Br4 N4 -","4","1","","Denton, Justin R; Cheng, Kevin; Davies, Huw M L","Stereoselective construction of nitrile-substituted cyclopropanes.","Chemical communications (Cambridge, England)","2008","","10","1238","1240","10.1039/b719175h","","x-ray","0.71073","MoKα","","0.0232","0.022","","","0.0585","0.0605","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103065","24.2489","0.0013","20.5698","0.0011","9.1014","0.0005","90","","94.477","0.004","90","","4525.9","0.4","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C43 H24 Cu I3 N5 -","- C43 H24 Cu I3 N5 -","- C172 H96 Cu4 I12 N20 -","4","1","","Muniappan, Sankar; Lipstman, Sophia; Goldberg, Israel","Rational design of supramolecular chirality in porphyrin assemblies: the halogen bond case.","Chemical communications (Cambridge, England)","2008","","15","1777","1779","10.1039/b719625c","","","0.71073","MoKα","","0.0865","0.0603","","","0.1484","0.1619","","","","","","1.023","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103165","35.285","0.015","4.651","0.002","12.784","0.005","90","","97.518","0.007","90","","2079.7","1.5","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C88 H120 N16 O8 -","4","1","","Piepenbrock, Marc-Oliver M; Lloyd, Gareth O; Clarke, Nigel; Steed, Jonathan W","Gelation is crucially dependent on functional group orientation and may be tuned by anion binding.","Chemical communications (Cambridge, England)","2008","","23","2644","2646","10.1039/b804259d","","","0.71073","MoKα","","0.0888","0.0762","","","0.196","0.2024","","","","","","1.157","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103267","26.1806","0.0004","4.7874","0.0009","12.9169","0.0002","90","","106.251","0.006","90","","1554.3","0.3","203","2","203","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 N O7 -","- C15 H19 N O7 -","- C60 H76 N4 O28 -","4","1","","Adibekian, Alexander; Timmer, Mattie S M; Stallforth, Pierre; van Rijn, Jimmy; Werz, Daniel B; Seeberger, Peter H","Stereocontrolled synthesis of fully functionalized D-glucosamine monosaccharides via a domino nitro-Michael/Henry reaction.","Chemical communications (Cambridge, England)","2008","","30","3549","3551","10.1039/b805159c","","","0.7107","MoKα","","0.0529","0.0445","","","0.113","0.1184","","","","","","1.045","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103272","21.792","0.002","27.979","0.003","14.0334","0.0015","90","","93.579","0.002","90","","8539.9","1.6","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","CompoundB","","","- C69 H48 N3 O12 Zn3 -","- C69 H48 N3 O12 Zn3 -","- C276 H192 N12 O48 Zn12 -","4","1","","Gadzikwa, Tendai; Zeng, Bi-Shun; Hupp, Joseph T; Nguyen, Sonbinh T","Ligand-elaboration as a strategy for engendering structural diversity in porous metal-organic framework compounds.","Chemical communications (Cambridge, England)","2008","","31","3672","3674","10.1039/b714160b","","","0.71073","MoKα","","0.0879","0.0511","","","0.1085","0.1162","","","","","","0.885","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103273","21.909","0.016","27.458","0.016","14.013","0.009","90","","93.183","0.017","90","","8417","10","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","CompoundC","","","- C92 H72 N4 O24 Zn4 -","- C92 H48 N4 O24 Zn4 -","- C184 H96 N8 O48 Zn8 -","2","0.5","","Gadzikwa, Tendai; Zeng, Bi-Shun; Hupp, Joseph T; Nguyen, Sonbinh T","Ligand-elaboration as a strategy for engendering structural diversity in porous metal-organic framework compounds.","Chemical communications (Cambridge, England)","2008","","31","3672","3674","10.1039/b714160b","","","0.71073","MoKα","","0.2053","0.1142","","","0.2882","0.3222","","","","","","0.956","","","","has coordinates,has disorder","180134","2020-10-21","18:00:00",""
"7103307","22.004","0.004","6.5982","0.0012","10.0393","0.0019","90","","93.683","0.012","90","","1454.5","0.5","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","(S)-Pinacol-(pyrrolidinium-2-yl)-methylboronic acid chloride","(S)-Pinacol-(pyrrolidinium-2-yl)-methylboronic acid chloride","","- C11 H23 B Cl N O2 -","- C11 H23 B Cl N O2 -","- C44 H92 B4 Cl4 N4 O8 -","4","1","","Arnold, Kenny; Batsanov, Andrei S; Davies, Bryan; Grosjean, Christophe; Schütz, Thorben; Whiting, Andrew; Zawatzky, Kerstin","The first example of enamine-Lewis acid cooperative bifunctional catalysis: application to the asymmetric aldol reaction.","Chemical communications (Cambridge, England)","2008","","33","3879","3881","10.1039/b806779a","","","0.71073","MoKα","","0.0576","0.0508","","","0.1268","0.1324","","","","","","1.088","","","","has coordinates,has disorder","180136","2020-10-21","18:00:00",""
"7103497","26.134","0.002","6.6651","0.0005","26.55","0.003","90","","118.58","0.004","90","","4061.1","0.7","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38 H36 Br2 N2 O10 Pd S2 -","- C38 H36 Br2 N2 O10 Pd S2 -","- C152 H144 Br8 N8 O40 Pd4 S8 -","4","1","","Pornsuriyasak, Papapida; Rath, Nigam P; Demchenko, Alexei V","4-(pyridin-2-yl)thiazol-2-yl thioglycosides as bidentate ligands for oligosaccharide synthesis via temporary deactivation.","Chemical communications (Cambridge, England)","2008","","43","5633","5635","10.1039/b810569c","","","0.71073","MoKα","","0.0716","0.0431","","","0.0851","0.095","","","","","","1.015","","","","has coordinates,has disorder","180137","2020-10-21","18:00:00",""
"7103632","7.9081","0.0003","7.9111","0.0003","10.4005","0.0004","90","","101.932","0.001","90","","636.62","0.04","120","0.1","120","0.1","","","","","","","MeCN","6","C 1 2 1","C 2y","5","","","","- C5 H12 F6 P Se2 Tl -","- C5 H14 F6 P Se2 Tl -","- C10 H28 F12 P2 Se4 Tl2 -","2","0.5","","Hill, Nicholas J.; Levason, William; Light, Mark E.; Reid, Gillian","Synthesis and structural features of the first thallium(I) selenoether derivatives","Chemical Communications (Cambridge, United Kingdom)","2003","","1","110","111","10.1039/b209729j","","","0.71073","MoKα","","0.0404","0.04","","0.053","","0.053","","","1.528","","","1.53","","","","has coordinates","209766","2020-10-21","18:00:00",""
"7103687","26.4314","0.0007","11.4071","0.0003","16.5957","0.0004","90","","114.379","0.002","90","","4557.5","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47.5 H50 N2 Ni O8.5 -","- C47.5 H42 N2 Ni O8.5 -","- C190 H168 N8 Ni4 O34 -","4","1","","Wenbin Lin; Yong Cui; Helen L. Ngo","A homochiral triple helix constructed from an axially chiral bipyridine","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b212781d","","","0.71073","MoKα","","0.0969","0.0733","","","0.1847","0.2004","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103843","18.5028","0.0013","16.192","0.0008","14.6519","0.0009","90","","110.117","0.007","90","","4121.9","0.5","200","","","","","","","","","","","6","C 1 2 1","C 2y","5","","Dimethylammonium (Λ)-Bis[3,4,5,6-tetrachlorobenzene-1,2-diolato] [D-6-Methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxine-7,8- diolato]phosphate acetone solvate","","- C31 H30 Cl8 N O11 P -","- C31 H30 Cl8 N O11 P -","- C124 H120 Cl32 N4 O44 P4 -","4","1","","Pérollier, Céline; Constant, Samuel; Jodry, Jonathan J.; Bernardinelli, Gérald; Lacour, Jérôme","Mannose derived hexacoordinated phosphate ‒ a generally efficient chiral anion for asymmetric applications","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2014","2015","10.1039/b305169b","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.8","","","","has coordinates","210708","2020-10-21","18:00:00",""
"7103851","29.048","0.007","5.7108","0.0006","14.709","0.003","90","","102.212","0.008","90","","2384.8","0.8","","","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H33 N O4 -","- C26 H33 N O4 -","- C104 H132 N4 O16 -","4","1","","White, James D.; Lee, Chang-Sun; Xu, Qing","Total synthesis of (+)-kalkitoxin","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2012","2013","10.1039/b306124h","","","1.5418","CuKα","","0.0862","0.0716","","","0.1349","0.1453","","","","","","1.156","","","","has coordinates","210607","2020-10-21","18:00:00",""
"7103860","21.75","0.02","5.316","0.005","12.868","0.013","90","","91.12","0.04","90","","1487","2","137","2","137","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b305159e","","","0.71073","MoKα","","0.3102","0.0892","","","0.1618","0.2262","","","","","","0.76","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103898","27.453","0.0008","7.125","0.0003","13.017","0.0005","90","","104.473","0.0015","90","","2465.36","0.16","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28.2 H19.8 Cl2 N2.6 O Zn -","- C28.2 H19.8 Cl2 N2.6 O Zn -","- C112.8 H79.2 Cl8 N10.4 O4 Zn4 -","4","1","","Siemeling, Ulrich; Scheppelmann, Imke; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg; Frelek, Jadwiga","Spontaneous chiral resolution of a coordination polymer with distorted helical structure consisting of achiral building blocks","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2236","2237","10.1039/b307161h","","","0.71073","MoKα","","0.0523","0.039","","","0.0841","0.0911","","","","","","1.03","","","","has coordinates,has disorder","210639","2020-10-21","18:00:00",""
"7103899","27.787","0.0013","7.349","0.0003","13.383","0.0007","90","","104.891","0.004","90","","2641.1","0.2","140","2","140","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H21 Br2 Hg N3 O -","- C29 H21 Br2 Hg N3 O -","- C116 H84 Br8 Hg4 N12 O4 -","4","1","","Siemeling, Ulrich; Scheppelmann, Imke; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg; Frelek, Jadwiga","Spontaneous chiral resolution of a coordination polymer with distorted helical structure consisting of achiral building blocks","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2236","2237","10.1039/b307161h","","","0.71073","MoKα","","0.0408","0.039","","","0.0947","0.0958","","","","","","1.044","","","","has coordinates","210639","2020-10-21","18:00:00",""
"7104311","30.0262","0.0011","18.6448","0.0006","33.9434","0.0009","90","","103.348","0.003","90","","18489.3","1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","resorcin(4)arene capsule","","","- C178 H239 N18 O56.5 -","- C178 H230.966 N18 O56.449 -","- C712 H923.864 N72 O225.796 -","4","1","","Kuberski, Bogumił; Szumna, Agnieszka","A self-assembled chiral capsule with polar interior.","Chemical communications (Cambridge, England)","2009","34","15","1959","1961","10.1039/b820990a","","","0.71073","MoKα","","0.1341","0.0692","","","0.1712","0.1894","","","","","","0.957","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7104339","15.611","0.003","29.312","0.006","18.931","0.004","90","","103.05","0.03","90","","8439","3","298","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C96 H96 N8 O4 Zn2 -","- C96 H96 N8 O4 Zn2 -","- C384 H384 N32 O16 Zn8 -","4","1","","Li, Gao; Zhu, Chengfeng; Xi, Xiaobing; Cui, Yong","Selective binding and removal of organic molecules in a flexible polymeric material with stretchable metallosalen chains.","Chemical communications (Cambridge, England)","2009","34","16","2118","2120","10.1039/b901574d","","","0.71073","MoKα","","0.1124","0.0788","","","0.1994","0.2233","","","","","","1.091","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104340","14.4846","0.0014","25.908","0.003","22.624","0.002","90","","92.096","0.002","90","","8484.6","1.4","293","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C96 H96 N8 O4 Zn2 -","- C96 H95 N8 O4 Zn2 -","- C384 H380 N32 O16 Zn8 -","4","1","","Li, Gao; Zhu, Chengfeng; Xi, Xiaobing; Cui, Yong","Selective binding and removal of organic molecules in a flexible polymeric material with stretchable metallosalen chains.","Chemical communications (Cambridge, England)","2009","34","16","2118","2120","10.1039/b901574d","","","0.71073","MoKα","","0.1143","0.0673","","","0.1588","0.1863","","","","","","1.095","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104341","15.516","0.0014","28.981","0.003","19.4548","0.0018","90","","103.236","0.002","90","","8515.9","1.3","273","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C91 H92 N8 O4 Zn2 -","- C91 H92 N8 O4 Zn2 -","- C364 H368 N32 O16 Zn8 -","4","1","","Li, Gao; Zhu, Chengfeng; Xi, Xiaobing; Cui, Yong","Selective binding and removal of organic molecules in a flexible polymeric material with stretchable metallosalen chains.","Chemical communications (Cambridge, England)","2009","34","16","2118","2120","10.1039/b901574d","","","0.71073","MoKα","","0.1386","0.0719","","","0.1587","0.1951","","","","","","1.065","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104342","14.929","0.007","25.901","0.012","22.477","0.01","90","","90","0.005","90","","8691","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C94.5 H96 N8 O4 Zn2 -","- C94.5 H96 N8 O4 Zn2 -","- C378 H384 N32 O16 Zn8 -","4","1","","Li, Gao; Zhu, Chengfeng; Xi, Xiaobing; Cui, Yong","Selective binding and removal of organic molecules in a flexible polymeric material with stretchable metallosalen chains.","Chemical communications (Cambridge, England)","2009","34","16","2118","2120","10.1039/b901574d","","","0.71073","MoKα","","0.1881","0.0686","","","0.1413","0.1769","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104343","15.531","0.002","29.2","0.004","18.945","0.003","90","","102.634","0.002","90","","8384","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H84 N8 O4 Zn2 -","- C84 H84 N8 O4 Zn2 -","- C336 H336 N32 O16 Zn8 -","4","1","","Li, Gao; Zhu, Chengfeng; Xi, Xiaobing; Cui, Yong","Selective binding and removal of organic molecules in a flexible polymeric material with stretchable metallosalen chains.","Chemical communications (Cambridge, England)","2009","34","16","2118","2120","10.1039/b901574d","","","0.71073","MoKα","","0.0864","0.0622","","","0.1681","0.1866","","","","","","1.126","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104532","23.772","0.003","14.7346","0.0013","30.466","0.005","90","","112.706","0.0018","90","","9844","2","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-2,5-dodecamethylene-1-methylimidazole_(+)-10- camphorsulfonic acid","(S)-2,5-dodecamethylene-1-methylimidazole_(+)-10-camphorsulfonic acid","","- C24 H40 N2 O4 S -","- C24 H40 N2 O4 S -","- C384 H640 N32 O64 S16 -","16","4","","Ishida, Yasuhiro; Iwasa, Eriko; Matsuoka, Yuki; Miyauchi, Hiroyuki; Saigo, Kazuhiko","An enantiopure cyclophane-type imidazole with no central but planar chirality.","Chemical communications (Cambridge, England)","2009","34","23","3401","3403","10.1039/b904059e","","","0.7107","MoKα","","0.0515","0.0481","","","0.1331","0.1388","","","","","","1.018","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7104912","18.2491","0.0004","16.2717","0.0003","14.9831","0.0003","90","","90.45","0.002","90","","4449","0.16","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H143 N9 Na6 O Si10 -","- C60 H143 N9 Na6 O Si10 -","- C120 H286 N18 Na12 O2 Si20 -","2","0.5","","Clark, Natalie M; García-Alvarez, Pablo; Kennedy, Alan R; O'Hara, Charles T; Robertson, Gemma M","Reactions of (-)-sparteine with alkali metal HMDS complexes: conventional meets the unconventional.","Chemical communications (Cambridge, England)","2009","","39","5835","5837","10.1039/b908722b","","","1.54184","CuKα","","0.0593","0.0435","","","0.1026","0.1083","","","","","","0.926","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7105500","24.077","0.002","10.3578","0.001","18.6921","0.0016","90","","116.081","0.004","90","","4186.9","0.7","123","","123","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38.68 H34.47 F12 Fe N6 O2.56 P2 -","- C38.678 H32 F12 Fe N6 O2.558 P2 -","- C154.712 H128 F48 Fe4 N24 O10.232 P8 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","π-Stacking and hydrogen bonding direct diastereoselectivity in one-pot syntheses of octahedral iron(ii) complexes","Chemical Communications","2010","46","18","3077","3079","10.1039/b927071j","","","0.71073","MoKα","","0.0765","0.0698","","0.0969","0.0792","0.0746","","","","","","1.1068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105501","34.624","0.007","10.436","0.002","13.417","0.003","90","","99.02","0.03","90","","4788.1","1.8","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C46.75 H40.5 Cl1.5 F12 Fe N6 O0.5 P2 -","- C46.75 H39.5 Cl1.5 F12 Fe N6 O0.5 P2 -","- C187 H158 Cl6 F48 Fe4 N24 O2 P8 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","π-Stacking and hydrogen bonding direct diastereoselectivity in one-pot syntheses of octahedral iron(ii) complexes","Chemical Communications","2010","46","18","3077","3079","10.1039/b927071j","","","0.71073","MoKα","","0.0519","0.0509","","","0.1447","0.1457","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105965","27.2619","0.0012","8.1375","0.0004","13.4148","0.0006","90","","115.991","0.002","90","","2675","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H40 N3 O8 -","- C22 H36 N3 O9 -","- C88 H144 N12 O36 -","4","1","","Poulami Jana; Sibaprasad Maity; Suman Kumar Maity; Debasish Haldar","A new peptide motif in the formation of supramolecular double helices","Chem.Commun.","2011","47","","2092","","10.1039/c0cc04244g","","","0.71073","MoKα","","0.0678","0.0461","","","0.1407","0.188","","","","","","0.749","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106048","28.779","0.007","8.917","0.002","42.307","0.01","90","","93.479","0.003","90","","10837","4","90","","90","","","","","","","","","7","C 1 2 1","C 2y","5","(LZn3La(OAc)3(solv))_0.5CHCl3","","","- C49 H52.5 Cl1.5 La N6 O19 Zn3 -","- C49 H52.5 Cl1.5 La N6 O19 Zn3 -","- C392 H420 Cl12 La8 N48 O152 Zn24 -","8","2","","Shigehisa Akine; Sayaka Hotate; Takashi Matsumoto; Tatsuya Nabeshima","Spontaneous enrichment of one-handed helix by dissolution of quasiracemic crystals of a tetranuclear single helical complex","Chem.Commun.","2011","47","","2925","","10.1039/c0cc04998k","","","0.71073","MoKα","","0.1652","0.0838","","","0.1605","0.1979","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106060","49.1113","0.0018","15.7929","0.0006","18.8454","0.0007","90","","94.213","0.002","90","","14577.2","0.9","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C119 H117.5 Ag5 Cl18 N10 O20 P5 -","- C119 H117.5 Ag5 Cl18 N10 O20 P5 -","- C476 H470 Ag20 Cl72 N40 O80 P20 -","4","1","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0614","0.0483","","","0.1308","0.1376","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106061","26.5223","0.0008","17.2451","0.0008","11.0171","0.0004","90","","90.708","0.002","90","","5038.6","0.3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C53 H52 Ag2 F6 N2 O6 P2 -","- C53 H52 Ag2 F6 N2 O6 P2 -","- C212 H208 Ag8 F24 N8 O24 P8 -","4","1","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0472","0.0315","","","0.0673","0.0744","","","","","","1.041","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106584","23.2747","0.0019","7.5775","0.0005","16.5826","0.0012","90","","100.139","0.002","90","","2878.9","0.4","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C100 H92 Cl4 F12 N12 O28 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0917","0.0771","","","0.1466","0.1509","","","","","","1.254","","","","has coordinates,has disorder","210887","2020-10-21","18:00:00",""
"7106585","20.7481","0.0011","7.6446","0.0004","14.9105","0.0007","90","","107.187","0.003","90","","2259.4","0.2","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C72 H72 F12 N8 O16 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.1327","0.1045","","","0.2564","0.2976","","","","","","1.122","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106587","20.8352","0.0008","7.6558","0.0003","14.9174","0.0005","90","","107.298","0.002","90","","2271.86","0.15","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C72 H72 F12 N8 O16 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0842","0.0792","","","0.2235","0.2313","","","","","","1.062","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106589","23.2828","0.0004","7.5988","0.0001","16.6091","0.0003","90","","100.165","0.001","90","","2892.38","0.08","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C100 H92 Cl4 F12 N12 O28 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0473","0.0411","","","0.114","0.1176","","","","","","1.023","","","","has coordinates,has disorder","210887","2020-10-21","18:00:00",""
"7106590","24.0625","0.0016","7.6315","0.0004","16.3387","0.001","90","","99.928","0.003","90","","2955.4","0.3","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C49 H46 F6 N6 O15 Si Zn -","- C49 H45 F6 N6 O15 Si Zn -","- C98 H90 F12 N12 O30 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0625","0.0542","","","0.1541","0.1602","","","","","","1.028","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106591","23.3869","0.0007","7.6246","0.0003","16.5705","0.0006","90","","100.067","0.002","90","","2909.29","0.18","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H30 F6 N6 O12 Si Zn -","- C44 H30 F6 N6 O12 Si Zn -","- C88 H60 F12 N12 O24 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0994","0.0678","","","0.17","0.1874","","","","","","1.026","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106606","17.796","0.006","6.252","0.0018","20.307","0.006","90","","90.601","0.004","90","","2259.2","1.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H31 N O5 -","- C24 H31 N O5 -","- C96 H124 N4 O20 -","4","1","","Gianpiero Cera; Pasquale Crispino; Magda Monari; Marco Bandini","Stereoselective synthesis of tetracyclic indolines via gold-catalyzed cascade cyclization reactions","Chem.Commun.","2011","47","","7803","","10.1039/c1cc12328a","","","0.71073","MoKα","","0.0495","0.0381","","","0.0897","0.0963","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106652","24.039","0.014","7.017","0.005","19.28","0.012","90","","95.759","0.014","90","","3236","4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C136 H128 Cl8 N8 O24 -","8","2","","Roy T. McBurney; Alexandra M. Z. Slawin; Laura A. Smart; Yanping Yu; John C. Walton","UV Promoted Phenanthridine Syntheses from Oxime Carbonate Derived Iminyl Radicals","Chem. Commun.","2011","47","","7974","","10.1039/c1cc12720a","","","1.54178","CuKα","","0.1656","0.1423","","","0.3619","0.3976","","","","","","1.203","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106680","19.9049","0.0008","8.3739","0.0002","14.7846","0.0006","90","","122.417","0.005","90","","2080.3","0.17","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C47 H39 Cl5 O2 P2 Pt -","- C46 H38 Cl2 O2 P2 Pt -","- C92 H76 Cl4 O4 P4 Pt2 -","2","0.5","","Arne Ficks; Ivan Martinez-Botella; Beverly Stewart; Ross W. Harrington; William Clegg; Lee J. Higham","Taming functionality: easy-to-handle chiral phosphiranes","Chem.Commun.","2011","47","","8274","","10.1039/c1cc12440d","","","0.71073","MoKα","","0.0339","0.0336","","","0.076","0.0761","","","","","","1.052","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106769","16.7458","0.0007","10.5063","0.0005","12.7529","0.0006","90","","112.534","0.002","90","","2072.4","0.17","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H18 Cu N0 O7 -","- C21 H18 Cu O7 -","- C84 H72 Cu4 O28 -","4","1","","Sung Min Shin; Kyung Seok Jeong; Jaheon Kim; Praveen K. Thallapally; Nakcheol Jeong","Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6-Way Helical Packing","Chem.Commun.","2011","47","","9402","","10.1039/c1cc12908b","","","0.71073","mokα","","0.0917","0.0758","","","0.1981","0.2128","","","","","","1.014","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7107097","28.664","0.0008","19.9202","0.0006","20.9345","0.0006","90","","131.918","0.0007","90","","8894.6","0.5","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C162 H102 Cl N Na O85 -","- C162 H102 Cl N Na O85 -","- C324 H204 Cl2 N2 Na2 O170 -","2","0.5","","Atsushi Ikeda; Ryota Aono; Naotake Maekubo; Shohei Katao; Jun-ichi Kikuchi; Motofusa Akiyama","Pseudorotaxane structure of a fullerene derivative-cyclodextrin 1:2 complex","Chem.Commun.","2011","47","","12795","","10.1039/c1cc15229g","","","0.71075","MoKα","","","0.0772","","","","0.2218","","","","","","1.042","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107145","29.984","0.002","6.1034","0.0004","15.0712","0.0009","90","","96.152","0.006","90","","2742.2","0.3","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C26 H42 O4 Si -","- C26 H42 O4 Si -","- C104 H168 O16 Si4 -","4","1","","Jeffrey Mak; Craig Williams","Enantioselective total synthesis of (‒)-neovibsanin G and (?-)-14-epi-neovibsanin G","Chem.Commun.","2012","48","","287","","10.1039/c1cc15995j","","x-ray","0.71073","MoKα","","0.1158","0.0415","","","0.0492","0.0564","","","","","","0.705","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107368","19.17","0.03","24.42","0.02","18.37","0.03","90","","113.31","0.17","90","","7898","2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H192 N12 O25 Zn3 -","- C116 H138 N12 O25 Zn3 -","- C232 H276 N24 O50 Zn6 -","2","0.5","","Aleksandra Sarnicka; Przemyslaw Starynowicz; Jerzy Lisowski","Controlling the macrocycle size by the stoichiometry of the applied template ion","Chem.Commun.","2012","48","","2237","","10.1039/c2cc16673a","","","0.71073","MoKα","","0.3311","0.1315","","","0.313","0.4127","","","","","","0.996","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107369","29.114","0.011","18.422","0.005","17.181","0.006","90","","125.19","0.05","90","","7531","6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C115.5 H172 Cl21 N12 O20 Zn3 -","- C115.5 H136 Cl21 N12 O20 Zn3 -","- C231 H272 Cl42 N24 O40 Zn6 -","2","0.5","","Aleksandra Sarnicka; Przemyslaw Starynowicz; Jerzy Lisowski","Controlling the macrocycle size by the stoichiometry of the applied template ion","Chem.Commun.","2012","48","","2237","","10.1039/c2cc16673a","","","0.71073","MoKα","","0.1344","0.1002","","","0.2545","0.2677","","","","","","1.654","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107408","20.016","0.005","11.19","0.002","9.266","0.002","90","","95.48","0.03","90","","2065.9","0.8","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H56 Li2 N2 O2 Si2 -","- C42 H56 Li2 N2 O2 Si2 -","- C84 H112 Li4 N4 O4 Si4 -","2","0.5","","Christian Unkelbach; Bors C. Abele; Klaus Lehmen; Daniel Schildbach; Benedikt Waerder; Kerstin Wild; Carsten Strohmann","A diastereomerically enriched, dimeric organolithium compound and the stereochemical course of its transformations","Chem.Commun.","2012","48","","2492","2494","10.1039/c1cc15872d","","","0.71073","MoKα","","0.0526","0.0476","","0.1293","0.1253","","","","1.058","","","","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107450","26.922","0.01","14.066","0.004","11.8345","0.0011","90","","96.447","0.016","90","","4453","2","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H108 Mo12 N3 O40 P Sb2 -","- C32 H72 Mo12 N2 O40 P Sb2 -","- C64 H144 Mo24 N4 O80 P2 Sb4 -","2","0.5","","Ridla Bakri; Andrew Booth; Gavin Harle; Paul S. Middleton; Corinne Wills; William Clegg; Ross W. Harrington; R. John Errington","Rational addition of capping groups to the phosphomolybdate Keggin anion [PMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> by mild, non-aqueous reductive aggregation","Chem. Commun.","2012","48","","2779","","10.1039/c2cc17670j","","","0.71073","MoKα","","0.0585","0.0468","","","0.1042","0.1102","","","","","","1.05","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107453","16.499","0.007","6.349","0.003","18.273","0.008","90","","98.851","0.006","90","","1891.3","1.5","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C80 H76 Br4 N8 O12 -","4","1","","Michiko Sasaki; Tomo Takegawa; Hidaka Ikemoto; Masatoshi Kawahata; Kentaro Yamaguchi; Kei Takeda","Enantioselective Trapping of an a-Chiral Carbanion of Acyclic Nitrile by a Carbon Electrophile","Chem.Commun.","2012","48","","2897","","10.1039/c2cc00082b","","","0.71073","MoKα","","0.131","0.0749","","","0.1627","0.1971","","","","","","1.126","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107456","21.8605","0.0009","19.4421","0.0008","25.7885","0.001","90","","96.62","0.001","90","","10887.4","0.8","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H24 B6 Fe3 O6 -","- C30 H24 B6 Fe3 O6 -","- C480 H384 B96 Fe48 O96 -","16","4","","Teng-Hao Chen; Watchareeya Kaveevivitchai; Nghia Bui; Ognjen Miljanic","Triply ferrocene-bridged boroxine cyclophane","Chem.Commun.","2012","48","","2855","","10.1039/c2cc17744g","","","0.71073","MoKα","","0.0777","0.0398","","","0.0915","0.1128","","","","","","0.955","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107514","19.119","0.006","5.5114","0.0016","15.207","0.004","90","","109.351","0.006","90","","1511.9","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 F N O2 -","- C18 H20 F N O2 -","- C72 H80 F4 N4 O8 -","4","1","","Michal Fornalczyk; Kuldip Singh; Alison M. Stuart","Synthesis of a-fluoro-B-hydroxy esters by an enantioselective Reformatsky-type reaction","Chem.Commun.","2012","48","","3500","","10.1039/c2cc17985g","","","0.71073","MoKα","","0.1326","0.0608","","","0.0819","0.0972","","","","","","0.826","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107558","25.188","0.005","14.481","0.003","23.119","0.004","90","","101.694","0.003","90","","8258","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","1.DPEA","","","- C92 H96 Cl6 N10 O Zn2 -","- C92 H96 Cl6 N10 O Zn2 -","- C368 H384 Cl24 N40 O4 Zn8 -","4","1","","Sanfaori Brahma; Sk. Asif Ikbal; Soumyajit Dey; Sankar Prasad Rath","Induction of supramolecular chirality in di-zinc(II) bisporphyrin via tweezer formation: synthesis, structure and rationalization of chirality","Chem.Commun.","2012","48","","4070","","10.1039/c2cc30526g","","","0.71073","MoKα","","0.1377","0.0785","","","0.1722","0.2128","","","","","","1.045","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107699","14.7303","0.0005","10.1126","0.0003","17.4314","0.0006","90","","107.87","0.004","90","","2471.34","0.15","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","adduct of diethylzinc and (tert butylamino)-(N,N?,N?- trimethylcyclohexyl-1R,2R-diamino-N-methyl)-dimethylsilane","adduct of diethylzinc and (tert butylamino)-(N,N?,N?-trimethylcyclohexyl-1R,2R-diamino-N-methyl)-dimethylsilane","","- C20 H47 N3 Si Zn -","- C20 H47 N3 Si Zn -","- C80 H188 N12 Si4 Zn4 -","4","1","","Victoria P. Colquhoun; Christian Unkelbach; Carsten Strohmann","Isolation of Reactive Intermediate in Deprotonation Reaction with Zinc Alkyls","Chem.Commun.","2012","48","","5034","","10.1039/c2cc32057f","","","0.71073","MoKα","","0.0266","0.0238","","","0.0542","0.0546","","","","","","1.037","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107703","18.957","0.002","18.652","0.002","39.347","0.004","90","","100.713","0.002","90","","13670","2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C68 H56 B F24 Ir N O P -","- C68 H56 B F23.9255 Ir N O P -","- C544 H448 B8 F191.404 Ir8 N8 O8 P8 -","8","2","","Jian Shang; Zhaobin Han; Yang Li; Zheng Wang; Kuiling Ding","Highly enantioselective asymmetric hydrogenation of (E)-B,B-disubstituted a,B-unsaturated Weinreb amides catalyzed by Ir(I) complexes of SpinPhox ligands","Chem.Commun.","2012","48","","5172","","10.1039/c2cc30812f","","","0.71073","MoKα","","0.1136","0.0637","","","0.1497","0.1874","","","","","","0.891","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107712","14.8379","0.0012","6.4738","0.0006","13.373","0.0011","90","","98.932","0.006","90","","1269","0.19","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Madhu Sudan Manna; Vikas Kumar; Santanu Mukherjee","Catalytic enantioselective construction of quaternary stereocenters by direct vinylogous Michael addition of deconjugated butenolides to nitroolefins","Chem.Commun.","2012","48","","5193","","10.1039/c2cc31700a","","","0.71073","MoKα","","0.0672","0.0423","","","0.1049","0.1165","","","","","","1.027","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107759","11.1949","0.0018","6.3676","0.001","18.385","0.003","90","","105.512","0.002","90","","1262.8","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C48 H56 N8 O24 -","4","1","","Christopher S. Theile; Larry W. McLaughlin","An Efficient Synthetic Approach to 6,5' (<i>S</i>) and 6,5' (<i>R</i>) - Cyclouridine","Chem.Commun.","2012","48","","5587","","10.1039/c2cc31597a","","","0.71073","MoKα","","0.0421","0.039","","","0.0952","0.0972","","","","","","1.057","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107792","26.435","0.004","12.5897","0.0017","18.562","0.005","90","","125.357","0.001","90","","5038.2","1.7","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C102 H92 Fe2 N4 O9 -","- C102 H62 Fe2 N4 O9 -","- C204 H124 Fe4 N8 O18 -","2","0.5","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.0925","0.084","","","0.2407","0.252","","","","","","1.106","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7108060","30.797","0.006","19.123","0.004","22.706","0.005","90","","102","0.03","90","","13080","5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C180 H340 Bi18 O125 S18 -","- C180 H282 Bi18 O125 S18 -","- C360 H564 Bi36 O250 S36 -","2","0.5","","Philip C. Andrews; Madleen Busse; Peter C. Junk; Craig M. Forsyth; Roshani Peiris","Sulfonato-encapsulated bismuth(III) oxido-clusters from Bi2O3 in water under mild conditions","Chem.Commun.","2012","48","","7583","","10.1039/c2cc33495j","","","0.7107","synchrotron","","0.0304","0.0302","","","0.0804","0.0805","","","","","","1.053","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108219","16.2817","0.0003","13.5141","0.0003","15.7591","0.0003","90","","93.254","0.0018","90","","3461.92","0.12","313","2","313","2","","","","","","","","5","C 1 2 1","C 2y","5","Ca-BTC-DMF-313K","","","- C29 H9 Ca3 N3 O14.98 -","- C29 H9 Ca3 N3 O14.982 -","- C116 H36 Ca12 N12 O59.928 -","4","1","","Arijit Mallick; Tanay Kundu; Rahul Banerjee","Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks","Chem.Commun.","2012","48","","8829","","10.1039/c2cc34006b","","","0.71073","MoKα","","0.0647","0.061","","","0.1671","0.1728","","","","","","1.062","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108357","53.632","0.004","9.3905","0.0006","16.7335","0.001","90","","102.327","0.002","90","","8233.2","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H17 Br N4 O4 S -","- C17 H16.9875 Br N4 O4 S -","- C272 H271.8 Br16 N64 O64 S16 -","16","4","","Zhen Zhang; De Wang; Yin Wei; Min Shi","Facile synthesis of 2-pyrazolines and alpha,beta-diamino ketones via regioselective ring-opening of hydrazone-tethered aziridines","Chem.Commun.","2012","48","","9607","","10.1039/c2cc35135h","","","0.71073","MoKα","","0.1031","0.0554","","","0.1254","0.14","","","","","","0.949","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108376","15.395","0.004","8.2539","0.0004","27.027","0.001","90","","101.261","0.001","90","","3368.2","0.9","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","Peptide","","","- C14 H20 N2 O5 S -","- C14 H20 N2 O5 S -","- C112 H160 N16 O40 S8 -","8","2","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0317","0.0312","","","0.0839","0.0845","","","","","","1.045","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108400","21.17","0.0012","12.0046","0.0005","17.9282","0.0009","90","","99.384","0.005","90","","4495.3","0.4","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45 H50 Cl4 O10 -","- C45 H48 Cl4 O10 -","- C180 H192 Cl16 O40 -","4","1","","Chengyou Han; Zibin Zhang; Guocan Yu; Feihe Huang","Syntheses of a pillar[4]arene[1]quinone and a difunctionalized pillar[5]arene by partial oxidation","Chem.Commun.","2012","48","","9876","","10.1039/c2cc35498e","","","0.71073","MoKα","","0.1332","0.1174","","","0.2693","0.2784","","","","","","1.036","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108469","16.965","0.007","28.706","0.011","14.825","0.01","90","","102.49","0.005","90","","7049","6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H52 Co3 N8 O24 -","- C74 H52 Co3 N8 O22 -","- C148 H104 Co6 N16 O44 -","2","0.5","","Fei-Yan Yi; Jian Zhang; Hai-Xia Zhang; Zhong-Ming Sun","Chiral transformations of achiral porous metal-organic frameworks via a stepwise approach","Chem.Commun.","2012","48","","10419","","10.1039/c2cc35399g","","","0.71073","MoKα","","0.1237","0.0789","","","0.2062","0.2351","","","","","","1.057","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108555","33.136","0.006","7.3933","0.0012","14.349","0.002","90","","104.51","0.003","90","","3403.2","1","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H54 La2 N2 O21 -","- C58 H54 La2 N2 O21 -","- C116 H108 La4 N4 O42 -","2","0.5","","Song Dang; Jian-Han Zhang; Zhong-Ming Sun; Hongjie Zhang","Luminescent lanthanide metal-organic frameworks with a large SHG response","Chem.Commun.","2012","48","","11139","","10.1039/c2cc35432b","","","0.71073","MoKα","","0.0589","0.046","","","0.1171","0.1304","","","","","","1.101","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108556","32.789","0.003","7.1091","0.0007","14.5399","0.0015","90","","104.454","0.002","90","","3282","0.6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H54 Eu2 N2 O21 -","- C58 H54 Eu2 N2 O21 -","- C116 H108 Eu4 N4 O42 -","2","0.5","","Song Dang; Jian-Han Zhang; Zhong-Ming Sun; Hongjie Zhang","Luminescent lanthanide metal-organic frameworks with a large SHG response","Chem.Commun.","2012","48","","11139","","10.1039/c2cc35432b","","","0.71073","MoKα","","0.0549","0.0449","","","0.1123","0.1287","","","","","","1.219","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108557","32.6663","0.0015","7.0665","0.0003","14.5262","0.0007","90","","104.398","0.001","90","","3247.9","0.3","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H54 N2 O21 Tb2 -","- C58 H54 N2 O21 Tb2 -","- C116 H108 N4 O42 Tb4 -","2","0.5","","Song Dang; Jian-Han Zhang; Zhong-Ming Sun; Hongjie Zhang","Luminescent lanthanide metal-organic frameworks with a large SHG response","Chem.Commun.","2012","48","","11139","","10.1039/c2cc35432b","","","0.71073","MoKα","","0.0407","0.0354","","","0.0928","0.1023","","","","","","0.984","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108565","19.582","0.003","6.4957","0.001","15.898","0.002","90","","123.363","0.001","90","","1689","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","compound 6da","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Enrico Paradisi; Paolo Righi; Andrea Mazzanti; Silvia Ranieri; Giorgio Bencivenni","Iminium ion catalysis: the enantioselective Friedel-Crafts alkylation-acetalization cascade of naphthols with alpha,beta-unsaturated cyclic ketones","Chem.Commun.","2012","48","","11178","","10.1039/c2cc35582e","","","0.71073","MoKα","","0.044","0.036","","","0.0827","0.0879","","","","","","1.025","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108582","17.5697","0.0003","12.2799","0.0002","9.0323","0.0002","90","","113.849","0.001","90","","1782.36","0.06","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H28 B2 Cu F8 N4 -","- C26 H28 B2 Cu F8 N4 -","- C52 H56 B4 Cu2 F16 N8 -","2","0.5","","Ryosuke Kotani; Atsushi Kondo; Kazuyuki Maeda","Gate adsorption of CO2 on a flexible one-dimensional copper-based coordination polymer crystal","Chem.Commun.","2012","48","","11316","","10.1039/c2cc35739a","","","1.54187","CuKα","","0.0559","0.0524","","","0.1416","0.1461","","","","","","1.109","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108896","19.372","0.008","6.401","0.003","14.653","0.008","90","","96.56","0.05","90","","1805.1","1.5","294","2","294","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Mercedes Amat; Carlos Ramos; Maria Perez; Elies Molins; Pedro Florindo; Maria M. M. Santos; Joan Bosch","Enantioselective formal synthesis of ent-rhynchophylline and ent-isorhynchophylline","Chemical communications (Cambridge, England)","2013","49","19","1954","1956","10.1039/c2cc38540f","","x-ray","0.71073","MoKα","","0.1481","0.0763","","","0.1875","0.2214","","","","","","1.017","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7109300","21.451","0.004","14.204","0.003","17.038","0.003","90","","124.8","0.03","90","","4263","2","193","","193","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C82 H141 B4 Cu14 I14 Mo4 N35 S12 -","- C82 H141 B4 Cu14 I14 Mo4 N35 S12 -","- C82 H141 B4 Cu14 I14 Mo4 N35 S12 -","1","0.25","","Zhen-Hong Wei; Chun-Yan Ni; Hong-Xi Li; Zhi-Gang Ren; Zhen-Rong Sun; Jian-Ping Lang","[PyH][{TpMo(mu3-S)4Cu3}4(mu12-I)]: a unique tetracubane cluster derived from the S-S bond cleavage and the iodide template effects and its enhanced NLO performances","Chem.Commun.","2013","49","","4836","","10.1039/c3cc41280f","","","0.71073","MoKα","","0.0517","0.0387","","","0.1015","0.1084","","","","","","0.944","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109425","21.713","0.0015","10.0823","0.0007","21.2984","0.0014","90","","105.315","0.007","90","","4497","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H60 N5 Nd O2 Si4 -","- C42 H60 N5 Nd O2 Si4 -","- C168 H240 N20 Nd4 O8 Si16 -","4","1","","Stacey D. Bennett; Simon J. A. Pope; Benjamin D. Ward","Near-IR luminescent neodymium complexes: spectroscopic probes for hydroamination catalysis","Chem.Commun.","2013","49","","6072","","10.1039/c3cc42923g","","","0.71073","MoKα","","0.0344","0.0313","","","0.071","0.0766","","","","","","1.111","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109566","25.0016","0.0005","6.6915","0.0001","12.9605","0.0002","90","","110.83","0.002","90","","2026.55","0.07","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H20 Cl3 F2 N O4 -","- C16 H20 Cl3 F2 N O4 -","- C64 H80 Cl12 F8 N4 O16 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.5418","CuKα","","0.0326","0.0321","","0.0822","0.0817","0.0822","","","","","","0.908","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109646","27.93","0.003","8.977","0.0009","20.9383","0.0015","90","","111.19","0.006","90","","4894.9","0.8","100","","99.99","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C108 H106 Cl2 O8 -","- C108 H106 Cl2 O8 -","- C216 H212 Cl4 O16 -","2","0.5","","Manolis D. Tzirakis; Nicolas Marion; W. Bernd Schweizer; Francois Diederich","A shape-persistent alleno-acetylenic macrocycle with a modifiable periphery: synthesis, chiroptical properties and H-bond-driven self-assembly into a homochiral columnar structure","Chem.Commun.","2013","49","","7605","","10.1039/c3cc44101f","","","1.54178","CuKα","","0.1131","0.1055","","","0.2781","0.2893","","","","","","1.408","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109852","15.136","0.0009","4.5783","0.0003","23.0086","0.0013","90","","102.954","0.006","90","","1553.85","0.17","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H19 N O S2 -","- C16 H19 N O S2 -","- C64 H76 N4 O4 S8 -","4","1","","Elise M. Rochette; William Lewis; Al G. Dossetter; Robert A. Stockman","Highly diastereoselective radical cyclisations of chiral sulfinimines","Chem.Commun.","2013","49","","9395","","10.1039/c3cc45452e","","","1.5418","CuKα","","0.0506","0.0481","","","0.1309","0.1327","","","","","","1.088","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109922","25.741","0.002","12.1212","0.0011","11.4444","0.0012","90","","96.976","0.001","90","","3544.4","0.6","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H38 N4 -","- C39.998 H37.997 N3.9995 -","- C159.992 H151.988 N15.998 -","4","1","","Bin Chen; Yubin Ding; Xin Li; Weihong Zhu; Jonathan P. Hill; Katsuhiko Ariga; Yongshu Xie","Steric hindrance-enforced distortion as a general strategy for the design of fluorescence 'turn-on' cyanide probes","Chem.Commun.","2013","49","","10136","","10.1039/c3cc46008h","","","0.71073","MoKα","","0.1266","0.0689","","","0.1742","0.2103","","","","","","0.917","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7110169","75.874","0.008","5.7768","0.0007","7.7098","0.0008","90","","92.437","0.012","90","","3376.2","0.6","296.15","","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H19 Cl N2 O -","- C19 H19 Cl N2 O -","- C152 H152 Cl8 N16 O8 -","8","2","","Soumya Jyoti Singha Roy; Santanu Mukherjee","Enantioselective desymmetrization of prochiral 1,3-dinitropropanes via organocatalytic allylic alkylation","Chem.Commun.","2013","50","","121","","10.1039/c3cc47645f","","","0.71073","MoKα","","0.1369","0.0569","","","0.1371","0.1712","","","","","","0.86","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110192","25.385","0.004","4.1207","0.0006","15.706","0.002","90","","98.23","0.004","90","","1626","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C17 H12 I2 N2 O2 -","- C17 H12 I2 N2 O2 -","- C68 H48 I8 N8 O8 -","4","1","","Xiaorong Wang; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Electronic communication across N-linked unconjugated polymers: important insight into the charge transfer processes of polyaniline","Chem.Commun.","2014","50","","350","","10.1039/c3cc47092j","","x-ray","0.71073","MoKα","","0.026","0.0226","","","0.0456","0.0468","","","","","","1.063","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110257","33.5853","0.0015","6.6602","0.0003","21.7816","0.001","90","","99.059","0.002","90","","4811.4","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","1a","","","- C54 H90 O2 -","- C54 H90 O2 -","- C216 H360 O8 -","4","1","","Jian-Rong Wang; Chun Zhou; Xueping Yu; Xuefeng Mei","Stabilizing vitamin D3 by conformationally selective co-crystallization","Chem.Commun.","2014","50","","855","","10.1039/c3cc47747a","","","0.71073","MoKα","","0.0748","0.0531","","","0.1245","0.1383","","","","","","1.035","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110258","33.2196","0.001","6.8885","0.0003","21.612","0.0007","90","","98.464","0.002","90","","4891.7","0.3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","1b","","","- C54 H92 O2 -","- C54 H92 O2 -","- C216 H368 O8 -","4","1","","Jian-Rong Wang; Chun Zhou; Xueping Yu; Xuefeng Mei","Stabilizing vitamin D3 by conformationally selective co-crystallization","Chem.Commun.","2014","50","","855","","10.1039/c3cc47747a","","","0.71073","MoKα","","0.1272","0.0642","","","0.1018","0.1186","","","","","","0.987","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110351","45.995","0.009","15.366","0.003","32.009","0.006","90","","134.07","0.03","90","","16254","10","100","2","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C148 H176 Cd4 N20 O44 -","- C145 H161 Cd4 N19 O43 -","- C580 H644 Cd16 N76 O172 -","4","1","","Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.","Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions","Chemical Communications (Cambridge, United Kingdom)","2014","50","9","1125","1127","10.1039/c3cc48802k","","","0.71073","Synchrotron","","0.1075","0.092","","","0.2542","0.2704","","","","","","1.03","","","","has coordinates,has disorder","210842","2020-10-21","18:00:00",""
"7110517","35.72","0.007","8.605","0.002","23.661","0.005","90","","117.94","0.03","90","","6425","3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","bis(R,R)-(-)-trans-2,3-bis(diphenylhydroxymethyl)-1,4-dioxaspiro(4.4)nonane N-nitroso-4-benzylpiperidine 2:1 clathrate","","- C78 H80 N2 O9 -","- C78 H80 N2 O9 -","- C312 H320 N8 O36 -","4","1","","Olszewska, Teresa; Milewska, Maria J.; Połoński, Tadeusz; Gdaniec, Maria","N-Nitrosopiperidines with chirality solely due to hindered rotation about the N‒N bond: enantioselective inclusion complexation with optically active hosts","Chemical Communications","1999","","15","1385","","10.1039/a901718f","","","1.54178","CuKα","","0.0612","0.0404","","0.1139","0.102","","","","1.069","1.099","1.099","","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110533","19.322","0.002","24.641","0.003","16.05","0.002","90","","108.759","0.008","90","","7235.7","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","(beta-CD/coumarin) dodecahydrate","(beta-CD/coumarin) dodecahydrate","","- C55.5 H103 O50 -","- C55.5 H47 O50 -","- C222 H188 O200 -","4","1","","Brett, Tom J.; Alexander, Jennifer M.; Clark, Joanna L.; Ross, II, Charles R.; Harbison, Gerard S.; Stezowski, John J.","Chemical insight from crystallographic disorder: structural studies of a supramolecular β-cyclodextrin/coumarin photochemical system","Chemical Communications (Cambridge, United Kingdom)","1999","","14","1275","1276","10.1039/a902092f","","","0.71073","MoKα","","0.1569","0.0893","","","0.2037","0.2342","","","","","","1.239","","","","has coordinates,has disorder","209518","2020-10-21","18:00:00",""
"7110965","19.352","0.002","24.599","0.002","15.916","0.002","90","","109.378","0.007","90","","7147.4","1.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","beta-CD/butyrophenone unidecahydrate","","","- C52 H105 O47.5 -","- C52.01 H59.02 O47.51 -","- C208.04 H236.08 O190.04 -","4","1","","Brett, Tom J.; Stezowski, John J.","Structural studies of supramolecular β-cyclodextrin complexes with butyrophenone and valerophenone: an explanation for photochemical reaction modification","Chemical Communications","2000","","10","857","","10.1039/b002828m","","","0.71073","MoKα","","0.0851","0.0668","","","0.1748","0.1929","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110966","19.339","0.002","25.581","0.001","16.01","0.002","90","","109.08","0.007","90","","7485.2","1.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","beta-CD/valerophenone unidecahydrate","","","- C53 H106 O47 -","- C53 H63 O46.861 -","- C212 H252 O187.444 -","4","1","","Brett, Tom J.; Stezowski, John J.","Structural studies of supramolecular β-cyclodextrin complexes with butyrophenone and valerophenone: an explanation for photochemical reaction modification","Chemical Communications","2000","","10","857","","10.1039/b002828m","","","0.71073","MoKα","","0.1426","0.0915","","","0.2504","0.2986","","","","","","1.02","","","","has coordinates,has disorder","180223","2020-10-21","18:00:00",""
"7110976","30.076","0.006","9.6742","0.0018","21.693","0.005","90","","132.206","0.017","90","","4675","2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C34 H44 Cl4 Fe2 N12 O2 S4 Zn2 -","- C34 H40 Cl4 Fe2 N12 O2 S4 Zn2 -","- C136 H160 Cl16 Fe8 N48 O8 S16 Zn8 -","4","1","","Chen-jie, Fang; Chun-ying, Duan; Cheng, He; Qing-jin, Meng","A double-helix generated from a ferrocenyl-thiosemicarbazato metallo-synthon and its novel hydrogen-bonding cavities","Chemical Communications","2000","","13","1187","","10.1039/b003072o","","","0.71073","MoKα","","0.0803","0.0695","","","0.177","0.1882","","","","","","1.038","","","","has coordinates,has disorder","180223","2020-10-21","18:00:00",""
"7111038","21.455","0.0002","8.8584","0.0002","13.2661","0.0002","90","","93.815","0.001","90","","2515.73","0.07","293","2","293","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","","","- C28 H20 N2 O4 Zn -","- C28 H20 N2 O4 Zn -","- C112 H80 N8 O16 Zn4 -","4","1","","Xiong, Ren-Gen; Zuo, Jing-Lin; You, Xiao-Zeng; Bai, Zhi-Ping; Abrahams, Brendan F.; Che, Chi-Ming; Fun, Hoong-Kun","Opto-electronic multifunctional chiral diamondoid-network coordination polymer: bis{4-[2-(4-pyridyl)ethenyl]benzoato}zinc with high thermal stability","Chemical Communications","2000","","20","2061","","10.1039/b004980h","","","0.71073","MoKα","","0.0638","0.0565","","0.1684","0.1638","","","","1.1","1.146","1.146","","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111239","26.1974","0.0008","11.2679","0.0004","16.6366","0.0005","90","","125.96","0.005","90","","3975.1","0.3","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H29 Cl11 Co N4 O2 -","- C24 H26 Cl11 Co0.5 N3 O2 -","- C96 H104 Cl44 Co2 N12 O8 -","4","1","","Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Non-centrosymmetric packing of 1-D coordination networks based on chirality","Chemical Communications","2002","","17","1898","","10.1039/b205556m","","","0.71073","Mo-Kα","","0.135","0.078","","0.218","","0.114","","","2.771","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111450","9.89","0.0008","10.582","0.0011","10.308","0.0009","90","","117.91","0.005","90","","953.31","0.16","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H8 Au2 Fe N8 -","- C16 Au2 Fe N8 -","- C32 Au4 Fe2 N16 -","2","0.5","","Galet, Ana; Muñoz, M. Carmen; Martínez, Víctor; Real, José; Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.0355","0.0292","","","0.0662","0.0718","","","","","","0.921","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111652","19.698","0.004","5.7772","0.0013","17.469","0.004","90","","93.705","0.004","90","","1983.8","0.8","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H20 Br O2 P -","- C22 H20 Br O2 P -","- C88 H80 Br4 O8 P4 -","4","1","","Wen, Shigang; Li, Pengfei; Wu, Haibo; Yu, Feng; Liang, Xinmiao; Ye, Jinxing","Enantioselective organocatalytic phospha-Michael reaction of α,β-unsaturated ketones","Chemical Communications","2010","46","26","4806","4808","10.1039/c0cc00094a","","","0.71073","MoKα","","0.0603","0.0427","","","0.086","0.1081","","","","","","1.06","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111862","27.119","0.004","10.6814","0.0016","21.58","0.004","90","","131.85","0.003","90","","4656.4","1.3","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C200 H216 N8 O32 -","8","2","","Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran","A diversity oriented one-pot synthesis of novel iminosugar C-glycosides","Chem.Commun.","2014","50","","1549","","10.1039/c3cc48370c","","","0.71073","MoKα","","0.078","0.0464","","","0.1042","0.1177","","","","","","0.999","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111891","23.57","0.004","4.8479","0.0008","18.554","0.003","90","","90.115","0.009","90","","2120.1","0.6","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H48 N3 O8 -","- C48 H48 N3 O8 -","- C96 H96 N6 O16 -","2","0.5","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.1171","0.0571","","","0.1533","0.2047","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111955","27.1139","0.0017","8.5424","0.0005","8.8326","0.0006","90","","95.562","0.006","90","","2036.2","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H18 N4 O4 -","- C22 H20 N4 O5 -","- C88 H80 N16 O20 -","4","1","","Qi-Long Peng; Shi-Peng Luo; Xiao-Er Xia; Liang-Xian Liu; Pei-Qiang Huang","The four-step total synthesis of (‒)-chaetominine","Chem.Commun.","2014","50","","1986","","10.1039/c3cc48833k","","","0.71073","MoKα","","0.1265","0.0496","","","0.0589","0.0688","","","","","","0.767","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7112006","58.688","0.004","21.7043","0.0016","17.5541","0.0013","90","","94.116","0.001","90","","22302","3","173","2","173","2","","","","","","","","10","C 1 2 1","C 2y","5","","","","- C194 H270 B4 Cl12 F12 Fe2 Ir4 N24 O27 S4 -","- C183 H246 B4 Cl8 F9 Fe2 Ir4 N24 O22 S3 -","- C732 H984 B16 Cl32 F36 Fe8 Ir16 N96 O88 S12 -","4","1","","Ying-Ying Zhang; Yue-Jian Lin; Guo-Xin Jin","Nano-sized heterometallic macrocycles based on 4-pyridinylboron-capped iron(II) clathrochelates: syntheses, structures and properties","Chem.Commun.","2014","50","","2327","","10.1039/c3cc49038f","","","0.71073","MoKα","","0.0986","0.0742","","","0.201","0.2198","","","","","","1.092","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112064","31.206","0.003","7.8852","0.0007","17.2435","0.0015","90","","117.308","0.003","90","","3770.2","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","MP0235","","","- C44 H37 Cl N4 O Ti -","- C44 H37 Cl N4 O Ti -","- C176 H148 Cl4 N16 O4 Ti4 -","4","1","","Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold","Synthesis, structure and reactivity of group 4 corrole complexes","Chem.Commun.","2014","50","","2922","","10.1039/c4cc00037d","","","0.71073","MoKα","","0.0346","0.033","","","0.0999","0.1033","","","","","","0.501","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112132","19.871","0.002","9.8406","0.001","23.807","0.002","90","","110.762","0.003","90","","4353","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H22 Ag Cl N4 O6 -","- C20 H22 Ag Cl N4 O6 -","- C160 H176 Ag8 Cl8 N32 O48 -","8","2","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.1521","0.0708","","","0.1648","0.2057","","","","","","1.069","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112166","30.212","0.002","7.0191","0.0006","16.0347","0.0015","90","","90.159","0.008","90","","3400.3","0.5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H40 Cl2 Cu N4 O2 -","- C37 H40 Cl2 Cu N4 O2 -","- C148 H160 Cl8 Cu4 N16 O8 -","4","1","","Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert","Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts","Chem.Commun.","2014","50","","3862","","10.1039/C3CC48874H","","","0.71073","MoKα","","0.0766","0.0611","","","0.1054","0.1114","","","","","","1.037","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112505","23.812","0.007","6.666","0.0007","18.297","0.004","90","","123.79","0.03","90","","2413.7","1.2","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H34 N O6 Si -","- C22 H34 N O6 Si -","- C88 H136 N4 O24 Si4 -","4","1","","Wang, Jen-Tsung; Lin, Ting-Chien; Chen, Ying-Hsuan; Lin, Chun-Hung; Fang, Jim-Min","Polyhydroxylated pyrrolidine and 2-oxapyrrolizidine as glycosidase inhibitors","MedChemComm","2013","4","5","783","","10.1039/c3md00033h","","","1.54178","CuKα","","0.0612","0.0575","","","0.1555","0.1659","","","","","","1.034","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112611","23.028","0.003","18.156","0.003","19.131","0.005","90","","100.136","0.012","90","","7874","3","200","","200","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H54 Co F6 N4 Sb -","- C36 H54 Co F6 N4 Sb -","- C288 H432 Co8 F48 N32 Sb8 -","8","2","","Amelie Kochem; Gisele Gellon; Olivier Jarjayes; Christian Philouze; Nicolas Leconte; Maurice van Gastel; Eckhard Bill; Fabrice Thomas","A singlet ground state for a cobalt(II)-anilinosalen radical complex","Chem.Commun.","2014","50","","4924","","10.1039/C4CC00952E","","x-ray","0.71073","MoKα","","0.0915","0.046","","","0.0849","0.0981","","","","","","1.014","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112676","19.207","0.002","5.884","0.001","18.682","0.002","90","","95.628","0.008","90","","2101.1","0.5","291.1","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Fujioka, Hiromichi; Nakahara, Kenji; Hirose, Hideki; Hirano, Kie; Oki, Tomohiro; Kita, Yasuyuki","Intramolecular iodoetherification of ene or diene ketals: facile synthesis of spiroketals.","Chemical communications (Cambridge, England)","2011","47","3","1060","1062","10.1039/c0cc03933k","","","1.5419","CuKα","","","0.051","","","","0.136","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113069","15.7939","0.0002","16.6435","0.0001","12.288","0.0002","90","","123.831","0.002","90","","2683.19","0.09","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","(Zn!5$(mu!3$-OH)!2$(L)!4$(DMF)(H!2$O)).(DMF) (L = 1,3-azulene dicarboxylate)","[Zn~5~(μ~3~-OH)~2~(L)~4~(DMF)(H~2~O)].(DMF) [L = 1,3-azulene dicarboxylate]","","- C54 H42 N2 O21 Zn5 -","- C54 H42 N2 O21 Zn5 -","- C108 H84 N4 O42 Zn10 -","2","0.5","","Barman, Samir; Furukawa, Hiroyasu; Blacque, Olivier; Venkatesan, Koushik; Yaghi, Omar M.; Berke, Heinz","Azulene based metal-organic frameworks for strong adsorption of H2.","Chemical communications (Cambridge, England)","2010","46","42","7981","7983","10.1039/c0cc02589e","","","0.71073","MoKα","","0.0307","0.0285","","","0.0765","0.077","","","","","","1.022","","","","has coordinates,has disorder","180244","2020-10-21","18:00:00",""
"7113321","37.5718","0.0009","10.8548","0.0002","16.9834","0.0004","90","","113.393","0.004","90","","6357.1","0.3","160","2","160","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C60.5 H55 Cl F12 N8 O4.5 P2 Ru2 S2 -","- C60.5 H55 Cl F12 N8 O4.5 P2 Ru2 S2 -","- C242 H220 Cl4 F48 N32 O18 P8 Ru8 S8 -","4","1","","Zheng-Zheng Li; Su-Yang Yao; Jin-Ji Wu; Bao-Hui Ye","In situ generation of sulfoxides with predetermined chirality via a structural template with a chiral-at-metal ruthenium complex","Chem.Commun.","2014","50","","5644","","10.1039/C4CC01907E","","","1.54178","CuKα","","0.0385","0.0379","","","0.0995","0.1005","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113401","33.739","0.016","9.704","0.003","8.672","0.002","90","","95.92","0.04","90","","2824.1","1.7","273","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H56 Ag N5 O7 -","- C72 H56 Ag N5 O7 -","- C144 H112 Ag2 N10 O14 -","2","0.5","","Wu, Chuan-De; Ngo, Helen L.; Lin, Wenbin","Luminescent homochiral silver(I) lamellar coordination networks built from helical chains.","Chemical communications (Cambridge, England)","2004","","14","1588","1589","10.1039/b403609c","","","0.71073","MoKα","","","0.0262","","","0.0596","0.0608","","","","","","1.043","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113402","34.6314","0.0009","10.2182","0.0002","8.3801","0.0002","90","","91.78","0.002","90","","2964.04","0.12","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H56 Ag Cl N4 O8 -","- C72 H56 Ag Cl N4 O8 -","- C144 H112 Ag2 Cl2 N8 O16 -","2","0.5","","Wu, Chuan-De; Ngo, Helen L.; Lin, Wenbin","Luminescent homochiral silver(I) lamellar coordination networks built from helical chains.","Chemical communications (Cambridge, England)","2004","","14","1588","1589","10.1039/b403609c","","","0.71073","MoKα","","","0.0466","","","0.1068","0.1117","","","","","","1.031","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113579","18.8632","0.0004","24.4542","0.0005","15.5942","0.0005","90","","110.668","0.001","90","","6730.4","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","bis(beta-cyclodextrin) bis(4-hydroxybenzoic acid methyl ester) clathrate hydrate (monoclinic form)","bis(beta-cyclodextrin) bis(4-hydroxybenzoic acid methyl ester) clathrate hydrate (monoclinic form)","","- C50 H92.4 O45.2 -","- C50 H74 O44.779 -","- C200 H296 O179.116 -","4","1","","Caira, Mino R.; de Vries, Elise J. C.; Nassimbeni, Luigi R.","Crystallization of two forms of a cyclodextrin inclusion complex containing a common organic guest","Chemical Communications","2003","","16","2058","","10.1039/b305784b","","","0.71073","MoKα","","0.129","0.1002","","","0.2532","0.2854","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113992","21.48","0.0019","15.0402","0.0013","15.687","0.0014","90","","95.205","0.002","90","","5047","0.8","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C21 H23 Br F N4 O7 P -","- C21 H23 Br F N4 O7 P -","- C168 H184 Br8 F8 N32 O56 P8 -","8","2","","Ying Huang; Qing-Song Zhang; Ping Fang; Tie-Gen Chen; Jun Zhu; Xue-Long Hou","Pd-catalyzed highly regio-, diastereo-, and enantioselective allylic alkylation of alpha-fluorophosphonates","Chem.Commun.","2014","50","","6751","","10.1039/C4CC02158D","","","0.71073","MoKα","","0.0795","0.0485","","","0.1303","0.1449","","","","","","0.982","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7114197","10.4037","0.0005","8.095","0.0004","6.3192","0.0003","90","","98.835","0.004","90","","525.88","0.04","296.2","","296.2","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H Br2 N3 O6 -","- C6 H Br2 N3 O6 -","- C12 H2 Br4 N6 O12 -","2","0.5","","Thallapally, Praveen K.; Desiraju, Gautam R.; Bagieu-Beucher, Muriel; Masse, René; Bourgogne, Cyril; Nicoud, Jean-François","1,3-Dibromo-2,4,6-trinitrobenzene (DBTNB). Crystal engineering and perfect polar alignment of two-dimensional hyperpolarizable chromophores","Chemical Communications","2002","","10","1052","","10.1039/b201224c","","","0.5608","AgKα","","0.0281","0.028","","0.034","","0.034","","","1.192","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114198","23.29","0.006","11.271","0.003","22.244","0.006","90","","104.13","0.01","90","","5662","3","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H76 Gd N11 O19 -","- C48 H76 Gd N11 O19 -","- C192 H304 Gd4 N44 O76 -","4","1","","Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst","Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/","Chemical Communications","2002","","10","1120","","10.1039/b202862j","","","0.71073","MoKα","","0.02","0.0194","","","0.0479","0.0482","","","","","","1.068","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114316","18.283","0.004","11.023","0.002","11.901","0.002","90","","121.77","0.03","90","","2039.1","0.9","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","trans-(2R,2'R)-bis-(2-phthalimidecyclohexyl)pyromellitdiimide","","- C48 H40 N6 O8 -","- C48 H40 N6 O8 -","- C96 H80 N12 O16 -","2","0.5","","Gawronski, Jacek; Gawronska, Krystyna; Grajewski, Jakub; Kacprzak, Karol; Rychlewska, Urszula","Folding of aromatic oligoimides of trans-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: CD spectra and experimental details. See http://www.rsc.org/suppdata/cc/b1/b110446b/","Chemical Communications","2002","","6","582","","10.1039/b110446b","","","0.71073","MoKα","","0.0716","0.0452","","","0.09","0.0969","","","","","","0.928","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114448","24.253","0.007","12.158","0.004","8.378","0.002","90","","98.557","0.004","90","","2442.9","1.2","298","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H68 Cl2 N6 Ni4 O24 -","- C36 H66 Cl2 N6 Ni4 O24 -","- C72 H132 Cl4 N12 Ni8 O48 -","2","0.5","","Du, Miao; Bu, Xian-He; Guo, Ya-Mei; Zhang, Lei; Liao, Dai-Zheng; Ribas, Joan","First tetrameric NiII cluster with planar triangular topology exhibiting ferromagnetic pathways","Chemical Communications","2002","","14","1478","","10.1039/b203487p","","","0.71073","MoKα","","0.0358","0.0329","","","0.0878","0.0906","","","","","","1.053","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7115017","24.1862","0.0014","20.1001","0.0012","13.9551","0.0008","90","","93.223","0.001","90","","6773.5","0.7","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C41 H61 Cu2 N4 Ni4 O21.5 -","- C41 H45 Cu2 N4 Ni4 O21.5 -","- C164 H180 Cu8 N16 Ni16 O86 -","4","1","","Cromie, Sarah; McKee, Vickie; Launay, Frédéric","Site-selectivity in a heterotetranuclear macrocyclic complex","Chemical Communications","2001","","19","1918","","10.1039/b106340p","","","0.6941","Synchrotron","","0.0886","0.0741","","","0.2329","0.2459","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115129","22.25","0.004","9.1085","0.0017","12.503","0.002","90","","96.359","0.003","90","","2518.3","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H20 Cd N2 O4 -","- C28 H20 Cd N2 O4 -","- C112 H80 Cd4 N8 O16 -","4","1","","Lin, Wenbin; Ma, Ling; Evans, Owen R.","NLO-active zinc(ii) and cadmium(ii) coordination networks with 8-fold diamondoid structures","Chemical Communications","2000","","22","2263","","10.1039/b007335k","","","0.71073","MoKα","","0.1012","0.0845","","","0.2175","0.2319","","","","","","1.039","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115130","21.522","0.003","8.8667","0.0011","13.0464","0.0016","90","","95.207","0.002","90","","2479.4","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H20 N2 O4 Zn -","- C28 H20 N2 O4 Zn -","- C112 H80 N8 O16 Zn4 -","4","1","","Lin, Wenbin; Ma, Ling; Evans, Owen R.","NLO-active zinc(ii) and cadmium(ii) coordination networks with 8-fold diamondoid structures","Chemical Communications","2000","","22","2263","","10.1039/b007335k","","","0.71073","MoKα","","0.1105","0.0642","","","0.1422","0.1615","","","","","","0.977","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115253","25.424","0.006","5.956","0.009","16.654","0.005","90","","100.28","0.02","90","","2481","4","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H38 N4 O9 -","- C20 H36 N4 O9 -","- C80 H144 N16 O36 -","4","1","","O’Neil, Ian A.; Potter, Andrew J.; Mike Southern, J.; Steiner, Alexander; Barkley, James V.","Conformationally defined piperazine bis(N-oxides) bearing amino acid derived side chains","Chemical Communications","1998","","22","2511","","10.1039/a806901h","","","0.71073","MoKα","","0.074","0.0437","","","0.1008","0.1171","","","","","","1.05","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115332","13.901","0.007","12.713","0.006","7.07","0.003","90","","91.139","0.009","90","","1249.2","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H26 Mo N4 O8 Zn -","- C14 H18 Mo N4 O8 Zn -","- C28 H36 Mo2 N8 O16 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0463","0.0402","","","0.0942","0.0966","","","","","","0.973","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115333","13.971","0.019","12.841","0.019","7.137","0.011","90","","90.74","0.05","90","","1280","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H30 Mo N4 O10 Zn -","- C14 H18 Mo N4 O10 Zn -","- C28 H36 Mo2 N8 O20 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0991","0.0761","","","0.1776","0.2024","","","","","","0.972","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115334","13.783","0.009","12.697","0.009","6.743","0.005","90","","90.759","0.014","90","","1179.9","1.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H32 N4 O11 S Zn -","- C14 H18 N4 O11 S Zn -","- C28 H36 N8 O22 S2 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0717","0.0606","","","0.1449","0.1534","","","","","","1.065","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115335","13.85","0.03","12.77","0.02","6.939","0.014","90","","91.45","0.03","90","","1227","4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H30 Cr N4 O10 Zn -","- C14 H18 Cr N4 O10 Zn -","- C28 H36 Cr2 N8 O20 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0731","0.0614","","","0.1492","0.1571","","","","","","1.002","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115355","20.1864","0.0006","39.606","0.0017","7.0261","0.0002","90","","109.988","0.002","90","","5279","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H18 O4 -","- C24 H18 O4.00017 -","- C288 H216 O48.002 -","12","3","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.1412","0.0893","","","0.2275","0.2631","","","","","","1.069","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115365","14.4","0.003","37.7","0.008","27.2","0.005","90","","100","0.03","90","","14542","5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C97 H97 Fe2 N8 O12 Zn2 -","- C97 H97 Fe2 N8 O12 Zn2 -","- C388 H388 Fe8 N32 O48 Zn8 -","4","1","","Zhiwei Yang; Chengfeng Zhu; Zijian Li; Yan Liu; Guohua Liu; Yong Cui","Engineering chiral Fe(salen)-based metal-organic frameworks for asymmetric sulfide oxidation","Chem.Commun.","2014","50","","8775","","10.1039/C4cc03308F","","","0.71073","MoKα","","0.0953","0.0721","","","0.1819","0.1945","","","","","","1.067","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115483","10.6284","0.0006","11.6932","0.0006","25.7411","0.0015","90","","101.369","0.003","90","","3136.3","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C128 H168 N24 O24 -","8","2","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","1.54178","CuKα","","0.029","0.0285","","","0.0766","0.077","","","","","","1.057","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115972","20.454","0.001","7.1698","0.0003","15.6356","0.0008","90","","121.607","0.006","90","","1952.8","0.2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","1","","Santigopal Mondal; Santhivardhana Reddy Yetra; Atanu Patra; Sunita S. Kunte; Rajesh G. Gonnade; Akkattu T. Biju","N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums","Chem.Commun.","2014","50","","14539","","10.1039/C4cc07433E","","","0.71073","MoKα","","0.0722","0.0515","","","0.0972","0.1054","","","","","","1.095","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116185","28.95","0.002","39.508","0.003","10.2785","0.0008","90","","95.737","0.001","90","","11697.2","1.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C155 H112 Cd4 N12 O19 -","- C155 H112 Cd4 N12 O19 -","- C310 H224 Cd8 N24 O38 -","2","0.5","","Qin, Ling; Zheng, Meng-Xi; Guo, Zi-Jian; Zheng, He-Gen; Xu, Yan","One non-interpenetrated chiral porous multifunctional metal-organic framework and its applications for sensing small solvent molecules and adsorption.","Chemical communications (Cambridge, England)","2015","51","12","2447","2449","10.1039/c4cc08763a","","","0.71073","MoKα","","0.0422","0.0375","","","0.0977","0.1","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116405","19.7543","0.0007","6.8067","0.0003","15.8605","0.0004","90","","98.736","0.004","90","","2107.89","0.13","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H19 Br N3 O3 -","- C21 H19 Br N3 O3 -","- C84 H76 Br4 N12 O12 -","4","1","","Bao-Dong Cui; Yong You; Jian-Qiang Zhao; Jian Zuo; Zhi-Jun Wu; Xiao-Ying Xu; Xiao-Mei Zhang; Wei-Cheng Yuan","3-Pyrrolyl-oxindoles as efficient nucleophiles for organocatalytic asymmetric synthesis of structurally diverse 3,3'-disubstituted oxindole derivatives","Chem.Commun.","2015","51","","757","","10.1039/C4cc08364D","","","1.54184","CuKα","","0.106","0.0839","","","0.2122","0.229","","","","","","1.091","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116512","37.896","0.006","12.929","0.002","12.973","0.002","90","","95.194","0.01","90","","6330.1","1.7","193","2","193","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C43 H65 F24 N7 O P4 Pb2 S4 -","- C43 H65 F24 N7 O P4 Pb2 S4 -","- C172 H260 F96 N28 O4 P16 Pb8 S16 -","4","1","","Wang, Fan; Ni, Chun-Yan; Liu, Quan; Li, Fu-Ling; Shi, Jing; Li, Hong-Xi; Lang, Jian-Ping","[Pb(Tab)2(4,4'-bipy)](PF6)2: two-step ambient temperature quantitative solid-state synthesis, structure and dielectric properties","Chemical Communications (Cambridge, United Kingdom)","2013","49","81","9248","9250","10.1039/c3cc45066j","","","0.7107","MoKα","","0.1003","0.0962","","","0.2331","0.2359","","","","","","1.068","","","","has coordinates","210993","2020-10-21","18:00:00",""
"7116829","43.874","0.004","8.3311","0.0009","29.743","0.003","90","","110.065","0.006","90","","10211.8","1.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H68 F18 N12 O13 Zn2 -","- C96 H68 F18 N12 O13 Zn2 -","- C384 H272 F72 N48 O52 Zn8 -","4","1","","Prakasam, Thirumurugan; Lusi, Matteo; Nauha, Elisa; Olsen, John-Carl; Sy, Mohamadou; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Trabolsi, Ali","Dynamic stereoisomerization in inherently chiral bimetallic [2]catenanes","Chemical Communications (Cambridge, United Kingdom)","2015","51","27","5840","5843","10.1039/c4cc07392d","","","1.54178","CuKα","","0.0719","0.0693","","","0.1899","0.1931","","","","","","1.043","","","","has coordinates","210853","2020-10-21","18:00:00",""
"7117032","29.997","0.003","8.4716","0.0009","12.7084","0.0011","90","","112.788","0.002","90","","2977.4","0.5","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H66 B2 F4 N8 O S2 -","- C66 H66 B2 F4 N8 O S2 -","- C132 H132 B4 F8 N16 O2 S4 -","2","0.5","","Xiaoqing Wang; Qingsong Liu; Hui Yan; Zhipeng Liu; Mingguang Yao; Qingfu Zhang; Shuwen Gong; Weijiang He","Piezochromic luminescence behaviors of two new benzothiazole-enamido boron difluoride complexes: intra- and inter-molecular effects induced by hydrostatic compression","Chem.Commun.","2015","51","","7497","","10.1039/C5cc01902H","","","0.71073","MoKα","","0.139","0.0587","","","0.1242","0.1548","","","","","","0.923","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7117071","13.608","0.003","10.347","0.002","14.528","0.004","90","","117.341","0.003","90","","1817.1","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","(R,R)-trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine -CuCl2 complex","","- C40 H50 Cl2 Cu N2 O2 -","- C40 H50 Cl2 Cu N2 O2 -","- C80 H100 Cl4 Cu2 N4 O4 -","2","0.5","","Koichi Tanaka; Tomoharu Iwashita; Erika Yoshida; Tomomi Ishikawa; Shinya Otuka; Zofia Urbanczyk-Lipkowska; Hiroki Takahashi","Solvent-dependent strong asymmetric amplification in the catalytic enantioselective Henry reaction using the trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine-CuCl2 complex","Chem.Commun.","2015","51","","7907","","10.1039/C5cc02302E","","","0.71075","MoKα","","0.0252","0.0224","","","0.0371","0.0374","","","","","","0.866","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117406","33.964","0.003","14.5897","0.0014","33.787","0.003","90","","104.936","0.0014","90","","16177","3","100","2","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C93.14 H86.24 Br11.98 Cl1.87 N24 O3.42 Zn5.99 -","- C93.144 H86.244 Br11.984 Cl1.872 N24 O3.42 Zn5.992 -","- C372.576 H344.976 Br47.936 Cl7.488 N96 O13.68 Zn23.968 -","4","1","","Timothy R. Ramadhar; Shao-Liang Zheng; Yu-Sheng Chen; Jon Clardy","The crystalline sponge method: MOF terminal ligand effects","Chem.Commun.","2015","51","","11252","","10.1039/c5cc03840E","","","0.40651","synchrotron","","0.0997","0.071","","","0.2044","0.2298","","","","","","1.055","","","","has coordinates,has disorder","139960","2020-10-21","18:00:00",""
"7117407","33.391","0.002","14.3975","0.001","33.897","0.002","90","","105.272","0.0012","90","","15720.4","1.7","100","2","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C95.1 H90 Cl13.31 N24 O3.78 Zn6 -","- C95.103 H89.993 Cl13.305 N24 O3.778 Zn6 -","- C380.412 H359.972 Cl53.22 N96 O15.112 Zn24 -","4","1","","Timothy R. Ramadhar; Shao-Liang Zheng; Yu-Sheng Chen; Jon Clardy","The crystalline sponge method: MOF terminal ligand effects","Chem.Commun.","2015","51","","11252","","10.1039/c5cc03840E","","","0.40656","synchrotron","","0.1178","0.0847","","","0.2399","0.273","","","","","","1.056","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117545","32.076","0.003","6.1638","0.0003","11.5618","0.0007","90","","97.569","0.007","90","","2266","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H20 F16 N2 O20 Sr3 -","- C42 H20 F16 N2 O20 Sr3 -","- C84 H40 F32 N4 O40 Sr6 -","2","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71073","MoKα","","0.0906","0.0838","","","0.213","0.219","","","","","","1.16","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117655","35.352","0.011","10.43","0.003","17.876","0.005","90","","107.549","0.005","90","","6285","3","100","2","100","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","hexapeptide","Boc-LUdgFLUdgF-COOEt","","- C49 H72 N6 O9 -","- C49 H72 N6 O9 -","- C196 H288 N24 O36 -","4","1","","Mothukuri Ganesh Kumar; Sushil N. Benke; K. Muruga Poopathi Raja; Hosahudya N. Gopi","Engineering polypeptide folding through trans double bonds: transformation of miniature beta-meanders to hybrid helices","Chem.Commun.","2015","51","","13397","","10.1039/C5cc04523A","","","0.71073","MoKα","","0.0791","0.0542","","","0.128","0.1405","","","","","","0.832","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117992","20.9821","0.0009","6.438","0.0003","15.242","0.0005","90","","111.466","0.003","90","","1916.11","0.14","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Zhen-Hua Wang; Zhi-Jun Wu; Xue-Qun Huang; Deng-Feng Yue; Yong You; Xiao-Ying Xu; Xiao-Mei Zhang; Wei-Cheng Yuan","Diastereo- and enantioselective direct vinylogous Michael addition of gamma-substituted butenolides to 2-enoylpyridines catalyzed by chiral bifunctional amine-squaramides","Chem.Commun.","2015","51","","15835","","10.1039/C5cc06383C","","","1.54184","CuKα","","0.0802","0.0788","","","0.2317","0.2342","","","","","","1.089","","","","has coordinates","169748","2020-10-21","18:00:00",""
"7118057","8.897","0.0013","6.768","0.0015","18.304","0.002","90","","90.365","0.006","90","","1102.2","0.3","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Cuyamendous, C.; Leung, K. S.; Durand, T.; Lee, J. C.-Y.; Oger, C.; Galano, J.-M.","Synthesis and discovery of phytofurans: metabolites of α-linolenic acid peroxidation.","Chemical communications (Cambridge, England)","2015","51","86","15696","15699","10.1039/c5cc05736a","","","0.72932","synchrotron","","0.0521","0.0521","","0.0491","0.0491","0.0491","","","","","","1.0434","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118085","13.798","0.0014","32.546","0.004","13.7267","0.0016","90","","100.33","0.01","90","","6064.3","1.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H104 N17 O7 Pd2 -","- C128 H104 N17 O7 Pd2 -","- C256 H208 N34 O14 Pd4 -","2","0.5","","Li-Peng Zhou; Qing-Fu Sun","A self-assembled Pd2L4 cage that selectively encapsulates nitrate","Chem.Commun.","2015","51","","16767","","10.1039/C5cc07306E","","","1.54178","CuKα","","0.1473","0.117","","","0.2797","0.3275","","","","","","1.201","","","","has coordinates,has disorder","170683","2020-10-21","18:00:00",""
"7118169","21.41","0.006","9.115","0.003","8.678","0.003","90","","90.827","0.004","90","","1693.4","0.9","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 Cl O5 -","- C17 H19 Cl O5 -","- C68 H76 Cl4 O20 -","4","1","","Qiang Sha; Hadi Arman; Michael P. Doyle","Asymmetric synthesis of 1H-pyrrol-3(2H)-ones from 2,3-diketoesters by combination of aldol condensation with benzilic acid rearrangement","Chem.Commun.","2016","52","","108","","10.1039/C5cc07780J","","","0.71075","MoKα","","0.0346","0.034","","","0.0917","0.0924","","","","","","1.051","","","","has coordinates","171607","2020-10-21","18:00:00",""
"7118643","13.77","0.006","5.569","0.003","9.822","0.004","90","","127.333","0.004","90","","598.9","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C6 F5 N -","- C6 F5 N -","- C24 F20 N4 -","4","1","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0432","0.036","","","0.0808","0.0842","","","","","","1.049","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118764","26.2252","0.0015","6.7734","0.0003","11.5919","0.0006","90","","115.831","0.003","90","","1853.37","0.17","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","(Ss)-(+)-N-[(R)-1-Cyano-2-(1?,2?-dicarba-closo-dodecaboranyl)ethyl]-tert-butylsulfinamide","21 b (EDM345)","","- C9 H24 B10 N2 O S -","- C9 H24 B10 N2 O S -","- C36 H96 B40 N8 O4 S4 -","4","1","","de Bruin, Gerjan; Mock, Elliot D.; Hoogendoorn, Sascha; van den Nieuwendijk, Adrianus M. C. H.; Mazurek, Jaroslaw; van der Marel, Gijsbert A.; Florea, Bogdan I.; Overkleeft, Herman S.","Enantioselective synthesis of adamantylalanine and carboranylalanine and their incorporation into the proteasome inhibitor bortezomib.","Chemical communications (Cambridge, England)","2016","52","21","4064","4067","10.1039/c6cc01156j","","","0.71073","MoKα","","0.0637","0.047","","","0.1033","0.1099","","","","","","1.079","","","","has coordinates","177686","2020-10-21","18:00:00",""
"7119100","38.802","0.0011","5.04894","0.00013","10.781","0.0003","90","","94.337","0.002","90","","2106.05","0.1","150","","150","","","","","","","","synthesis","6","C 1 2 1","C 2y","5","","5","","- C21 H17 Br N4 O5 S -","- C21 H17 Br N4 O5 S -","- C84 H68 Br4 N16 O20 S4 -","4","1","","Knipe, Peter C.; Thompson, Sam; Hamilton, Andrew D.","Acid-mediated topological control in a functionalized foldamer","Chemical Communications (Cambridge, United Kingdom)","2016","52","39","6521","6524","10.1039/c6cc01496h","","","1.54184","CuKα","","0.0304","0.0303","","0.0792","0.079","0.0792","","","","","","0.9493","","","","has coordinates","211008","2020-10-21","18:00:00",""
"7119134","34.8","0.002","9.8414","0.0006","10.8355","0.0007","90","","96.507","0.003","90","","3687","0.4","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39.5 H31 Au2 Cl3 P2 -","- C39.5 H30.9999 Au2 Cl3.00005 P2 -","- C158 H124 Au8 Cl12.0002 P8 -","4","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0184","0.0179","","","0.0445","0.0447","","","","","","1.032","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119135","34.8079","0.0011","9.8397","0.0003","10.8227","0.0004","90","","96.441","0.002","90","","3683.4","0.2","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39.5 H31 Au2 Cl3 P2 -","- C39.5 H30.9999 Au2 Cl3.00005 P2 -","- C158 H124 Au8 Cl12.0002 P8 -","4","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0142","0.0141","","","0.0359","0.0359","","","","","","1.069","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119192","22.9684","0.0011","6.4549","0.0003","12.7545","0.0006","90","","105.422","0.0012","90","","1822.88","0.15","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 Br N4 O2 -","- C19 H17 Br N4 O2 -","- C76 H68 Br4 N16 O8 -","4","1","","Nishimine, Takayuki; Taira, Hiromi; Mori, Satoru; Matsubara, Okiya; Tokunaga, Etsuko; Akiyama, Hidehiko; Soloshonok, Vadim A.; Shibata, Norio","Synthesis of chiral (tetrazolyl)methyl-containing acrylates via silicon-induced organocatalytic kinetic resolution of Morita-Baylis-Hillman fluorides.","Chemical communications (Cambridge, England)","2017","53","6","1128","1131","10.1039/c6cc08830a","","","0.71075","MoKα","","","0.0315","","","","0.0813","","","","","","1.09","","","","has coordinates","191469","2020-10-21","18:00:00",""
"7119254","15.9902","0.0005","6.7069","0.0002","15.597","0.0005","90","","107.569","0.002","90","","1594.67","0.09","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Wang, Mo; Zhang, Xiao; Ling, Zheng; Zhang, Zhenfeng; Zhang, Wanbin","Direct enantioselective C-acylation for the construction of a quaternary stereocenter catalyzed by a chiral bicyclic imidazole.","Chemical communications (Cambridge, England)","2017","53","8","1381","1384","10.1039/c6cc09451a","","","1.54178","CuKα","","0.0507","0.0374","","","0.0844","0.0902","","","","","","1.015","","","","has coordinates","191492","2020-10-21","18:00:00",""
"7119312","20.477","0.004","23.839","0.005","17.521","0.004","90","","111.11","0.03","90","","7979","3","113.15","","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C244 H171 Cd8 N88 O28 -","- C244 H171 Cd8 N88 O28 -","- C244 H171 Cd8 N88 O28 -","1","0.25","","Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang","Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.","Chemical communications (Cambridge, England)","2017","53","3","636","639","10.1039/c6cc09566f","","","0.71073","MoKα","","0.1166","0.1001","","","0.2656","0.2835","","","","","","1.018","","","","has coordinates,has disorder","189804","2020-10-21","18:00:00",""
"7119404","16.407","0.004","23.902","0.009","14.901","0.003","90","","103.206","0.017","90","","5689","3","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C20 H52 Cl4 N8 O14.5 Pd2 Pt2 S4 -","- C20 H52 Cl4 N8 O14.5 Pd2 Pt2 S4 -","- C80 H208 Cl16 N32 O58 Pd8 Pt8 S16 -","4","1","","Kuwamura, Naoto; Kurioka, Yoshinari; Konno, Takumi","A platinum(ii)-palladium(ii)-nickel(ii) heterotrimetallic coordination polymer showing a cooperative effect on catalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2017","53","5","846","849","10.1039/c6cc08789b","","","0.71075","MoKα","","0.0341","0.0324","","","0.0989","0.0998","","","","","","1.047","","","","has coordinates,has disorder","190361","2020-10-21","18:00:00",""
"7119405","22.503","0.003","9.065","0.001","18.45","0.002","90","","119.332","0.008","90","","3281.1","0.7","200","2","200","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C20 H48 Cl2 N8 Ni O26 Pd2 Pt2 S4 -","- C20 H48 Cl2 N8 Ni O26 Pd2 Pt2 S4 -","- C40 H96 Cl4 N16 Ni2 O52 Pd4 Pt4 S8 -","2","0.5","","Kuwamura, Naoto; Kurioka, Yoshinari; Konno, Takumi","A platinum(ii)-palladium(ii)-nickel(ii) heterotrimetallic coordination polymer showing a cooperative effect on catalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2017","53","5","846","849","10.1039/c6cc08789b","","","0.71075","MoKα","","0.0666","0.0569","","","0.1597","0.1658","","","","","","1.058","","","","has coordinates,has disorder","190361","2020-10-21","18:00:00",""
"7119447","25.132","0.002","9.8199","0.0007","17.2577","0.0016","90","","131.012","0.005","90","","3213.8","0.5","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H32 F12 N6 P2 Ru -","- C30 H32 F12 N6 P2 Ru -","- C120 H128 F48 N24 P8 Ru4 -","4","1","","Yanay; Popowski; Israel; Goldberg; Moshe; Kol","The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)","Chem.Commun.","2016","52","","7932","","","","","0.71073","MoKα","","0.0685","0.0611","","","0.1538","0.16","","","","","","1.036","","","","has coordinates","190514","2020-10-21","18:00:00",""
"7119658","19.376","0.003","12.405","0.002","16.135","0.003","90","","94.809","0.003","90","","3864.5","1.1","88","2","88","2","","","","","","","","5","C 1 2 1","C 2y","5","Ac-DELTA1-5-Arg10-teixobactin","Acetyl-DELTA1-5-Arg10-teixobactin","","- C30 H57 Cl N9 O10.5 -","- C30 H57 Cl N9 O10.5 -","- C120 H228 Cl4 N36 O42 -","4","1","","Yang, H.; Du Bois, D. R.; Ziller, J. W.; Nowick, J. S.","X-ray crystallographic structure of a teixobactin analogue reveals key interactions of the teixobactin pharmacophore.","Chemical communications (Cambridge, England)","2017","53","18","2772","2775","10.1039/c7cc00783c","","","0.71073","MoKα","","0.0625","0.0424","","","0.0811","0.0878","","","","","","1.016","","","","has coordinates","193706","2020-10-21","18:00:00",""
"7119832","28.896","0.0009","8.6749","0.0003","14.2513","0.0004","90","","116.056","0.001","90","","3209.29","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H68 N16 O4 Pr2 -","- C52.02 H47.38 N3.34 O15.34 Pr2 -","- C104.04 H94.76 N6.68 O30.68 Pr4 -","2","0.5","","Juhoon Lee; Nolan W. Waggoner; Luis Polanco; Ga Rim You; Vincent M. Lynch; Sung Kuk Kim; Simon M. Humphrey; Jonathan L. Sessler","Ship in a breakable bottle: fluoride-induced release of an organic molecule from a Pr(III)-linked molecular cage","Chem.Commun.","2016","52","","8514","","","","","0.71073","MoKα","","0.0391","0.0322","","","0.0805","0.0828","","","","","","1.033","","","","has coordinates,has disorder","194266","2020-10-21","18:00:00",""
"7120073","16.8922","0.0004","14.6238","0.0003","10.6886","0.0002","90","","108.676","0.001","90","","2501.35","0.09","190","2","190","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H19 F5 N P S -","- C27 H19 F5 N P S -","- C108 H76 F20 N4 P4 S4 -","4","1","","Chen, Yuan-Hui; Xu, Xu-Long; Han, Fu-She","Efficient Synthesis of Cyclic P-Stereogenic Phosphinamides from Acyclic Chiral Precursors via Radical Oxidative Intramolecular Aryl C‒H Phosphinamidation","Chem. Commun.","2017","","","","","10.1039/C7CC02263H","","","1.54178","CuKα","","0.0452","0.0409","","","0.1045","0.1074","","","","","","1.058","","","","has coordinates","196205","2020-10-21","18:00:00",""
"7120119","27.1608","0.0007","6.9059","0.0002","21.9106","0.0009","90","","127.11","0.001","90","","3277.45","0.19","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Zheng, Dongsong; Zhao, Qiankun; Hu, Xiaoying; Cheng, Tanyu; Liu, Guohua; Wang, Wei","Dynamic kinetic asymmetric transfer hydrogenation-cyclization tandem reaction: an easy access to chiral 3,4-dihydro-2H-pyran-carbonitriles","Chem. Commun.","2017","","","","","10.1039/C7CC02156A","","","1.54178","CuKα","","0.0482","0.0456","","","0.1144","0.12","","","","","","1.049","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120195","16.874","0.0004","8.2225","0.0002","11.5745","0.0003","90","","92.962","0.002","90","","1603.78","0.07","294.39","0.1","294.39","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Zheng, Haifeng; Xu, Chaoran; Wang, Yan; Kang, Tengfei; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric [2+2] Cycloaddition between Quinones and Fulvenes and a Subsequent Stereoselective Isomerization to 2,3-Dihydrobenzofurans","Chem. Commun.","2017","","","","","10.1039/C7CC03211K","","x-ray","1.54184","CuKα","","0.0517","0.0508","","","0.1295","0.1316","","","","","","1.074","","","","has coordinates","196982","2020-10-21","18:00:00",""
"7120200","29.78","0.006","4.7","0.0009","20.22","0.004","90","","100.38","0.03","90","","2783.8","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H66 F18 N10 O15 -","- C38 H58 F12 N10 O15 -","- C76 H116 F24 N20 O30 -","2","0.5","","Silk, Mitchell; Newman, Janet; Ratcliffe, Julian; White, Jacinta; Caradoc-Davies, Tom; Price, Jason R.; Perrier, Sebastien; Thompson, Philip Evan; Chalmers, David K.","Parallel and Antiparallel Cyclic D/L Peptide Nanotubes","Chem. Commun.","2017","","","","","10.1039/C7CC00846E","","","0.95369","synchrotron","","0.1152","0.1068","","","0.2794","0.2918","","","","","","1.211","","","","has coordinates,has disorder","197052","2020-10-21","18:00:00",""
"7120229","36.1897","0.0008","14.6874","0.0002","34.7427","0.0008","90","","109.742","0.002","90","","17381.5","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C136.11 H131.89 I12 N27.41 Zn6 -","- C136.11 H131.89 I12 N27.41 Zn6 -","- C544.44 H527.56 I48 N109.64 Zn24 -","4","1","","Abozeid, Mohamed A.; Sairenji, Shiho; Takizawa, Shinobu; Fujita, Makoto; Sasai, Hiroaki","Enantioselective synthesis of tetrahydrocyclopenta[b]indole bearing a chiral quaternary carbon center via Pd(II)-SPRIX-catalyzed C‒H activation","Chem. Commun.","2017","","","","","10.1039/C7CC03199H","","","1.54187","CuKα","","0.0865","0.0742","","","0.2049","0.2219","","","","","","1.047","","","","has coordinates,has disorder","197589","2020-10-21","18:00:00",""
"7120269","8.1001","0.0005","6.5764","0.0003","29.8228","0.0017","90","","96.427","0.005","90","","1578.66","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Hong, San-Ni; Liu, Yang; Lee, Richmond; Jiang, Zhiyong","Asymmetric tandem conjugate addition−protonation to forge chiral secondary C−O bond for quaternary carbon stereocenters at the nonadjacent β-position","Chem. Commun.","2017","","","","","10.1039/C7CC03700G","","x-ray","1.54184","CuKα","","0.0761","0.0623","","","0.1611","0.1722","","","","","","1.051","","","","has coordinates,has disorder","197785","2020-10-21","18:00:00",""
"7120289","21.981","0.005","25.367","0.005","15.79","0.005","90","0.005","133.554","0.005","90","0.005","6381","3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C84 H140 Cs2 O70 -","- C84 H98 Cs2 O73 -","- C168 H196 Cs4 O146 -","2","0.5","","Lan, Ya-Qian; Liu, Jiang; Bao, Tian-Yi; Yang, Xi-Ya; Zhu, Pei-Pei; Wu, Lianhe; Sha, JingQuan; Zhang, Lei; Dong, Long-Zhang; Cao, Xue-Li","Controllable Porosity Conversion of Metal-Organic Frameworks Composed of Natural Ingredients for Drug Delivery","Chem. Commun.","2017","","","","","10.1039/C7CC03673F","","","0.71069","MoKα","","0.1103","0.103","","","0.2987","0.3089","","","","","","1.351","","","","has coordinates","197945","2020-10-21","18:00:00",""
"7120446","20.4694","0.0006","29.3171","0.0007","9.33198","0.00018","90","","90.778","0.002","90","","5599.6","0.2","293.57","0.1","293.57","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H28 Br N O2 -","- C30 H28 Br N O2 -","- C240 H224 Br8 N8 O16 -","8","2","","Mei, Hongjiang; Lin, Lili; Wang, Lifeng; Dai, Li; Liu, Xiaohua; Feng, Xiaoming","Highly Regio-, Diastereo- and Enantioselective Deracemization of Axially Chiral 3-Alkylideneoxindoles","Chem. Commun.","2017","","","","","10.1039/C7CC05164F","","x-ray","1.54184","CuKα","","0.0813","0.0713","","","0.2034","0.2186","","","","","","1.074","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120800","16.72","0.007","9.987","0.004","8.832","0.004","90","","90.306","0.009","90","","1474.8","1.1","296","","296","","","","","","","","","4","C 1 2 1","C 2y","5","","1-(((1R, 2R)-2-(tert-butoxy)cyclopropyl)sulfonyl)-4-methylbenzene","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","","Kotozaki, Manato; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Highly Stereoselective Cyclopropanation of Various Olefins with Diazosulfones Catalyzed by Ru(II)‒Pheox Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05951E","","","0.71069","MoKα","","0.0581","0.0467","","","0.1275","0.1375","","","","","","1.031","","","","has coordinates","202138","2020-10-21","18:00:00",""
"7120807","28.261","0.006","36.059","0.007","21.798","0.004","90","0.03","117.95","0.03","90","0.03","19622","9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","PgC4, Pro, DMF, Mg","C-butylpyrogallol[4]arene, proline, dimethylformamide, magnesium","","- C306 H342 Mg24 N10 O116 -","- C306 H342 Mg24 N10 O116 -","- C612 H684 Mg48 N20 O232 -","2","0.5","","Zhang, Chen; Patil, Rahul S.; Barnes, Charles L.; Atwood, Jerry L.","Novel Magnesium-Seamed Organic Nanocapsules with Hierarchical Structural Complexity","Chem. Commun.","2017","","","","","10.1039/C7CC07390A","","","1.54184","CuKα","","0.1267","0.1211","","","0.3467","0.3625","","","","","","1.777","","","","has coordinates,has disorder","202238","2020-10-21","18:00:00",""
"7120808","28.8873","0.0012","35.5602","0.0013","21.8751","0.0009","90","","118.99","0.002","90","","19655.4","1.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","PgC3OH, Pro, DMF, Mg","C-propan-3-ol pyrogallol[4]arene, Proline, dimethylformamide, magnesium","","- C276 H258 Mg24 N8 O140 -","- C276 H258 Mg24 N8 O140 -","- C552 H516 Mg48 N16 O280 -","2","0.5","","Zhang, Chen; Patil, Rahul S.; Barnes, Charles L.; Atwood, Jerry L.","Novel Magnesium-Seamed Organic Nanocapsules with Hierarchical Structural Complexity","Chem. Commun.","2017","","","","","10.1039/C7CC07390A","","","1.54178","CuKα","","0.1393","0.1147","","","0.3166","0.3569","","","","","","1.478","","","","has coordinates","202238","2020-10-21","18:00:00",""
"7120809","28.6297","0.0008","35.3408","0.001","21.545","0.0006","90","","119.007","0.002","90","","19064.7","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","PgC3, Pro, DMF, Mg","C-propylpyrogallol[4]arene, proline, dimethylformamide, magnesium","","- C276 H282 Mg24 N8 O116 -","- C276 H282 Mg24 N8 O116 -","- C552 H564 Mg48 N16 O232 -","2","0.5","","Zhang, Chen; Patil, Rahul S.; Barnes, Charles L.; Atwood, Jerry L.","Novel Magnesium-Seamed Organic Nanocapsules with Hierarchical Structural Complexity","Chem. Commun.","2017","","","","","10.1039/C7CC07390A","","","1.54178","CuKα","","0.1164","0.0867","","","0.2418","0.2736","","","","","","1.027","","","","has coordinates","202238","2020-10-21","18:00:00",""
"7121057","26.5106","0.0018","28.0247","0.0004","14.2981","0.001","90","","140.094","0.014","90","","6815","2","120","0.1","120","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C21 H116 K3.5 Li8 N4.5 O129 P6 W24 -","- C15 H10 K3.52 N1.5 O103.28 P6 W24 -","- C30 H20 K7.04 N3 O206.56 P12 W48 -","2","0.5","","Yi, Xiaofeng; Izarova, Natalya V.; Kögerler, Paul","The homometallic polyoxotungstate archetype {P<sub>4</sub>W<sub>24</sub>}.","Chemical communications (Cambridge, England)","2018","54","18","2216","2219","10.1039/c7cc09175c","","","0.71073","MoKα","","0.0848","0.0717","","","0.1753","0.1917","","","","","","1.041","","","","has coordinates","228442","2020-10-21","18:00:00",""
"7121058","26.212","0.002","28.3669","0.0006","14.158","0.0011","90","","140.132","0.016","90","","6748","2","120","0.1","120","0.1","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C21 H128 Co3 K2 Li1.5 N4.5 O134 P6 W24 -","- C19 H10 Co3 K2.01 N3.5 O114.26 P6 W24 -","- C38 H20 Co6 K4.02 N7 O228.52 P12 W48 -","2","0.5","","Yi, Xiaofeng; Izarova, Natalya V.; Kögerler, Paul","The homometallic polyoxotungstate archetype {P<sub>4</sub>W<sub>24</sub>}.","Chemical communications (Cambridge, England)","2018","54","18","2216","2219","10.1039/c7cc09175c","","","0.71073","MoKα","","0.0509","0.0422","","","0.0962","0.1034","","","","","","1.051","","","","has coordinates","228442","2020-10-21","18:00:00",""
"7121059","26.5613","0.0017","28.3926","0.0004","14.2563","0.0009","90","","140.272","0.013","90","","6872","2","120","0.1","120","0.1","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C21 H126 As2 K3.5 Li8 N4.5 O134 P4 W24 -","- C18.02 H10 As2 K3.51 N3.01 O105.04 P4 W24 -","- C36.04 H20 As4 K7.02 N6.02 O210.08 P8 W48 -","2","0.5","","Yi, Xiaofeng; Izarova, Natalya V.; Kögerler, Paul","The homometallic polyoxotungstate archetype {P<sub>4</sub>W<sub>24</sub>}.","Chemical communications (Cambridge, England)","2018","54","18","2216","2219","10.1039/c7cc09175c","","","0.71073","MoKα","","0.0655","0.0483","","","0.1132","0.1268","","","","","","1.023","","","","has coordinates","228442","2020-10-21","18:00:00",""
"7121204","15.6759","0.0003","10.396","0.0002","14.9375","0.0002","90","","102.563","0.001","90","","2376.03","0.07","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H23 Br N2 O2 -","- C29 H23 Br N2 O2 -","- C116 H92 Br4 N8 O8 -","4","1","","Bao, Xiaoze; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","C6' steric bulk of cinchona alkaloid enables an enantioselective Michael addition/annulation sequence toward pyranopyrazoles.","Chemical communications (Cambridge, England)","2018","54","16","2028","2031","10.1039/c8cc00154e","","","0.71073","MoKα","","0.0367","0.0308","","","0.0774","0.08","","","","","","1.023","","","","has coordinates","228286","2020-10-21","18:00:00",""
"7121409","31.394","0.0009","5.3361","0.0002","23.9306","0.0007","90","","100.532","0.003","90","","3941.4","0.2","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54184","CuKα","","0.0538","0.0449","","","0.1238","0.1328","","","","","","1.034","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121410","34.6765","0.0008","5.3631","0.0002","22.8467","0.0005","90","","112.324","0.001","90","","3930.43","0.19","400","2","400","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54178","CuKα","","0.0663","0.0546","","","0.1521","0.1662","","","","","","1.039","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121411","31.2568","0.001","5.2632","0.0002","23.9083","0.0008","90","","100.653","0.003","90","","3865.4","0.2","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54184","CuKα","","0.05","0.047","","","0.1311","0.1356","","","","","","1.046","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121412","32.4316","0.0017","5.187","0.0003","22.848","0.0012","90","","104.905","0.004","90","","3714.2","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54178","CuKα","","0.0872","0.0544","","","0.1161","0.1316","","","","","","0.962","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121413","34.7168","0.0004","5.2783","0.0001","22.8445","0.0003","90","","112.593","0.001","90","","3864.9","0.1","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54178","CuKα","","0.04","0.0366","","","0.0981","0.1017","","","","","","1.03","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121754","17.5096","0.0008","10.5339","0.0005","11.1338","0.0006","90","","126.315","0.001","90","","1654.71","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H20 I N2 O0.5 -","- C17 H20 I N2 O0.5 -","- C68 H80 I4 N8 O2 -","4","1","","Teng, Qiaoqiao; Wu, Wenqin; Duong, Hung A.; Huynh, Han Vinh","Ring-expanded N-heterocyclic carbenes as ligands in iron-catalysed cross-coupling reactions of arylmagnesium reagents and aryl chlorides.","Chemical communications (Cambridge, England)","2018","54","47","6044","6047","10.1039/c8cc01808a","","","0.71073","MoKα","","0.0113","0.0111","","","0.0274","0.0274","","","","","","1.119","","","","has coordinates","228329","2020-10-21","18:00:00",""
"7122623","28.5163","0.0015","9.9416","0.0005","26.6193","0.0013","90","","110.609","0.003","90","","7063.6","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H75 F3 O10 S3 Zn0.5 -","- C73 H50 F3 O10 S3 Zn0.5 -","- C292 H200 F12 O40 S12 Zn2 -","4","1","","Reiné, Pablo; Ortuño, Ana M; Resa, Sandra; Álvarez de Cienfuegos, Luis; Blanco, Victor; Ruedas-Rama, M José; Mazzeo, Giuseppe; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Guisán-Ceinos, Santiago; Ribagorda, Maria; Campaña, Araceli G; Mota, Antonio; Longhi, Giovanna; Miguel, Delia; Cuerva, Juan M.","OFF/ON switching of circularly polarized luminescence by oxophilic interaction of homochiral sulfoxide-containing o-OPEs with metal cations.","Chemical communications (Cambridge, England)","2018","54","99","13985","13988","10.1039/c8cc08395a","","","1.54178","CuKα","","0.101","0.0963","","","0.2528","0.2584","","","","","","1.046","","","","has coordinates","228160","2020-10-21","18:00:00",""
"7122683","27.9956","0.0005","14.8843","0.0002","18.7743","0.0002","90","","107.158","0.0017","90","","7475","0.2","123","0.1","123","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C77.5 H74.5 Cd2 N8.5 O20.5 -","- C77.5 H74.5 Cd2 N8.5 O20.5 -","- C310 H298 Cd8 N34 O82 -","4","1","","Boer, Stephanie A.; Cox, Rosalind P.; Beards, Michael; Wang, Huixin; Donald, William; Bell, Toby D. M.; Turner, David Roger","Elucidation of naphthalene diimide metallomacrocycles and catenanes by solvent dependent excimer and exciplex emission","Chemical Communications","2018","","","","","10.1039/C8CC09191A","","x-ray","1.54184","CuKα","","0.0586","0.0514","","","0.138","0.1441","","","","","","0.905","","","","has coordinates,has disorder","212356","2020-10-21","18:00:00",""
"7122840","22.2504","0.0011","13.1969","0.0005","17.7522","0.0008","90","","112.116","0.005","90","","4829.2","0.4","123","","123.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H62 Li N4 Na O9 Si4 -","- C28 H61.5 Li N4 Na O9 Si4 -","- C112 H246 Li4 N16 Na4 O36 Si16 -","4","1","","Gauld, Richard M.; Kennedy, Alan R.; McLellan, Ross; Barker, Jim; Reid, Jacqueline; Mulvey, Robert E.","Diverse outcomes of CO2 fixation using alkali metal amides including formation of a heterobimetallic lithium‒sodium carbamato-anhydride via lithium‒sodium bis-hexamethyldisilazide","Chemical Communications","2019","","","","","10.1039/C8CC08308H","","","1.54184","CuKα","","0.1023","0.0891","","","0.2416","0.266","","","","","","1.054","","","","has coordinates,has disorder","213084","2020-10-21","18:00:00",""
"7123219","9.5648","0.0011","19.708","0.002","9.8034","0.0011","90","","105.271","0.004","90","","1782.7","0.3","123","","123","","","","","","","","Thomas Muentener","3","C 1 2 1","C 2y","5","","","","- C16 H36 N4 -","- C16 H36 N4 -","- C64 H144 N16 -","4","1","","Müntener, Thomas; Thommen, Fabienne; Joss, Daniel; Kottelat, Jérémy; Prescimone, Alessandro; Häussinger, Daniel","Synthesis of chiral nine and twelve-membered cyclic polyamines from natural building blocks","Chemical Communications","2019","","","","","10.1039/C9CC00720B","","","1.54178","CuKα","","0.0264","0.0261","","0.0589","0.0588","0.0589","","","","","","0.8694","","","","has coordinates","214381","2020-10-21","18:00:00",""
"7123344","43.04","0.05","9.038","0.009","20.98","0.02","90","","114.772","0.014","90","","7410","13","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H172 N4 O24 Si4 -","- C126.506 H166.024 N4 O22.506 Si4 -","- C253.012 H332.048 N8 O45.012 Si8 -","2","0.5","","Kabe, Yoshio; Kawakami, Yoshiteru; Ogishima, Tsuyoshi; Kawara, Tomoki; Yamauchi, Shota; Okamoto, Kazuhiko; Nikaido, Singo; Souma, Daiki; Jin, Ren-hua","Silane catecholates: Versatile tools for self-assembled dynamic covalent bond chemistry","Chemical Communications","2019","","","","","10.1039/C9CC02103E","","","0.71073","MoKα","","0.2062","0.1748","","","0.4365","0.4671","","","","","","1.345","","","","has coordinates,has disorder","214830","2020-10-21","18:00:00",""
"7123582","16.7276","0.0007","5.4692","0.0002","17.8067","0.0008","90","","103.573","0.002","90","","1583.58","0.11","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","(2R,4aR,9bR)-4a-methyl-2-((E)-styryl)-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b]benzofuran","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Lux, Michaelyn C.; Boby, Melissa L.; Brooks, Joshua L.; Tan, Derek S.","Synthesis of bicyclic ethers by a palladium-catalyzed oxidative cyclization-redox relay-π-allyl-Pd cyclization cascade reaction.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc03775f","","","1.54178","CuKα","","0.0335","0.0325","","","0.0879","0.0888","","","","","","1.067","","","","has coordinates","215641","2020-10-21","18:00:00",""
"7123630","23.6899","0.0009","6.3426","0.0002","54.772","0.002","90","","95.942","0.002","90","","8185.6","0.5","173","2","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C81 H136 O3 -","- C81 H136 O3 -","- C324 H544 O12 -","4","1","","Wang, Jian-Rong; Li, Meiqi; Yu, Qihui; Zhang, Zaiyong; Zhu, Bingqing; Qin, Wenming; Mei, Xuefeng","Anisotropic elasticity and plasticity of organic crystal","Chemical Communications","2019","","","","","10.1039/C9CC03542G","","","1.54178","CuKα","","0.1062","0.0983","","","0.2418","0.2496","","","","","","1.084","","","","has coordinates,has disorder","215845","2020-10-21","18:00:00",""
"7123685","9.6526","0.0005","7.4265","0.0004","30.2283","0.0016","90","","95.334","0.002","90","","2157.5","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H32 N2 O2 S -","- C23 H32 N2 O2 S -","- C92 H128 N8 O8 S4 -","4","1","","Wang, Can; Geng, Xiao; Zhao, Peng; Zhou, You; Wu, Yan-Dong; Cui, Yan-Fang; Wu, An-Xin","I2/CuCl2-Promoted One-Pot Three-Component Synthesis of Aliphatic or Aromatic Substituted 1,2,3-Thiadiazoles","Chemical Communications","2019","","","","","10.1039/C9CC04254G","","","1.54178","CuKα","","0.041","0.0408","","","0.1136","0.114","","","","","","1.07","","","","has coordinates,has disorder","216080","2020-10-21","18:00:00",""
"7123787","59.112","0.015","9.934","0.003","18.475","0.005","90","","106.229","0.005","90","","10417","5","247","2","247","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H70 Al Cd3 N7 O20 -","- C68 H70 Al Cd3 N7 O20 -","- C272 H280 Al4 Cd12 N28 O80 -","4","1","","Xia, Qingchun; Yuan, Chen; Li, Yongxin; Cui, Yong","Design and Assembly of a Chiral Composite Metal−Organic Framework for Efficient Asymmertric Sequential Transformation of Alkene to Amino Alcohol","Chemical Communications","2019","","","","","10.1039/C9CC04131A","","","0.71073","MoKα","","0.1082","0.071","","","0.1685","0.1858","","","","","","0.988","","","","has coordinates,has disorder","216776","2020-10-21","18:00:00",""
"7123873","36.3689","0.0012","30.0761","0.0011","26.1089","0.0009","90","","131.776","0.002","90","","21297.9","1.4","100","2","99.99","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C188 H172 Cu4 F24 N40 O8 P4 -","- C188 H172 Cu4 F24 N40 O8 P4 -","- C752 H688 Cu16 F96 N160 O32 P16 -","4","1","","Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur","Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids","Chemical Communications","2019","","","","","10.1039/C9CC03316E","","","1.54178","CuKα","","0.0747","0.0671","","","0.188","0.1998","","","","","","1.033","","","","has coordinates","217087","2020-10-21","18:00:00",""
"7124064","20.4515","0.0007","6.5902","0.0001","16.4904","0.0005","90","","115.808","0.0014","90","","2000.89","0.1","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","ACS-953.T9_150K","","","- C21 H23 Br N2 O5 -","- C21 H23 Br N2 O5 -","- C84 H92 Br4 N8 O20 -","4","1","","Casado-Sanchez, Antonio; Domingo-Legarda, Pablo; Cabrera, Silvia; Aleman, Jose","Visible Light Photocatalytic Asymmetric Synthesis of Pyrrolo[1,2-a]indoles via Intermolecular [3+2] Cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05838A","","","0.71073","MoKα","","0.0334","0.0266","","","0.0496","0.0622","","","","","","1.102","","","","has coordinates","217794","2020-10-21","18:00:00",""
"7124071","26.455","0.002","6.3246","0.0002","14.0068","0.0009","90","","109.467","0.009","90","","2209.6","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48 H42 Br2 F6 N4 O5 -","- C48 H42 Br2 F6 N4 O5 -","- C96 H84 Br4 F12 N8 O10 -","2","0.5","","Zeng, Guangkuo; Li, Yunqiang; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Photoredox Asymmetric Catalytic Enantioconvergent Substitution of 3-Chlorooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC05304B","","x-ray","1.54184","CuKα","","0.0481","0.0422","","","0.107","0.1114","","","","","","1.067","","","","has coordinates","217797","2020-10-21","18:00:00",""
"7124073","56.145","0.002","7.4648","0.0002","17.3511","0.0012","90","","108.14","0.008","90","","6910.6","0.7","100","","100","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C132 H118 -","- C132 H118 -","- C264 H236 -","2","0.5","","Wada, Yuya; Shinohara, Ken-ichi; Ikai, Tomoyuki","Optically active triptycenes containing hexa-peri-hexabenzocoronene units","Chemical Communications","2019","","","","","10.1039/C9CC06025A","","","0.71075","MoKα","","0.1295","0.0907","","","0.2418","0.2684","","","","","","1.073","","","","has coordinates","217799","2020-10-21","18:00:00",""
"7124215","16.4067","0.001","17.1103","0.0011","10.8096","0.0007","90","","127.088","0.0014","90","","2420.7","0.3","93","0.2","93","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H31 Cl2 N2 Rh -","- C26 H30 Cl2 N2 Rh -","- C104 H120 Cl8 N8 Rh4 -","4","1","","Ito, Jun-ichi; Ishihara, Takahiro; Fukuoka, Takaki; Binti Mat Napi, Siti Rokiah; Kameo, Hajime; Nishiyama, Hisao","Modulation of Coordination Geometry of NCN and NCNC Rh Complexes for Ambidextrous Chiral Catalysts","Chemical Communications","2019","","","","","10.1039/C9CC06520B","","","0.71073","MoKα","","0.0255","0.0253","","","0.0761","0.0766","","","","","","1.29","","","","has coordinates","218559","2020-10-21","18:00:00",""
"7124218","20.2556","0.0016","12.2123","0.001","13.039","0.0011","90","","111.67","0.001","90","","2997.5","0.4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H35 Cl2 N2 Rh -","- C34 H35 Cl2 N2 Rh -","- C136 H140 Cl8 N8 Rh4 -","4","1","","Ito, Jun-ichi; Ishihara, Takahiro; Fukuoka, Takaki; Binti Mat Napi, Siti Rokiah; Kameo, Hajime; Nishiyama, Hisao","Modulation of Coordination Geometry of NCN and NCNC Rh Complexes for Ambidextrous Chiral Catalysts","Chemical Communications","2019","","","","","10.1039/C9CC06520B","","","0.71073","MoKα","","0.0295","0.028","","","0.0669","0.0677","","","","","","1.045","","","","has coordinates","218559","2020-10-21","18:00:00",""
"7124231","13.7767","0.0008","14.4557","0.0008","18.5563","0.0011","90","","91.428","0.004","90","","3694.4","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H40 Cd2 N4 O8 -","- C38 H40 Cd2 N4 O8 -","- C152 H160 Cd8 N16 O32 -","4","1","","Pahari, Goutam; Bhattacharya, Biswajit; Reddy, C. Malla; Ghoshal, Debajyoti","A reversible photochemical solid-state transformation in an interpenetrated 3D metal‒organic framework with mechanical softness","Chemical Communications","2019","","","","","10.1039/C9CC04765D","","","0.71073","MoKα","","0.0999","0.0711","","","0.1792","0.199","","","","","","1.034","","","","has coordinates","218830","2020-10-21","18:00:00",""
"7125252","40.8407","0.0009","11.72","0.0003","10.659","0.0002","90","","102.731","0.001","90","","4976.53","0.19","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H29 N3 O3 Si -","- C26 H29 N3 O3 Si -","- C208 H232 N24 O24 Si8 -","8","2","","Pan, Jin-Long; Li, Quan-Zhe; Zhang, Ting-Yu; Hou, Si-Hua; Kang, Jun-Cheng; Zhang, Shu-Yu","Palladium-catalyzed direct intermolecular silylation of remote unactivated C(sp<sup>3</sup>)-H bonds.","Chemical communications (Cambridge, England)","2016","52","89","13151","13154","10.1039/c6cc07885k","","","1.54178","CuKα","","0.0521","0.0448","","","0.1094","0.113","","","","","","1.05","","","","has coordinates","234628","2020-10-21","18:00:00",""
"7125447","31.9544","0.001","16.4618","0.0005","17.8159","0.0005","90","","104.814","0.002","90","","9060.1","0.5","100","","99.71","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54178","CuKα","","0.1121","0.0695","","","0.1738","0.1967","","","","","","0.943","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125448","32.761","0.008","16.907","0.004","18.032","0.004","90","","106.009","0.009","90","","9600","4","240","","239.99","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.1439","0.0774","","","0.1999","0.2429","","","","","","0.92","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125449","32.45","0.02","16.983","0.009","18.105","0.014","90","","106.85","0.04","90","","9549","11","240","","240","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.1065","0.0619","","","0.1526","0.1763","","","","","","0.909","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125450","32.027","0.015","16.64","0.01","17.903","0.008","90","","105.183","0.014","90","","9208","8","160","2","159.99","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.0907","0.0655","","","0.1774","0.192","","","","","","1.048","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125451","31.8352","0.0013","16.6477","0.0006","17.9355","0.0006","90","","105.495","0.002","90","","9160","0.6","100","2","99.72","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54178","CuKα","","0.1181","0.0712","","","0.1735","0.2","","","","","","0.916","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125568","29.723","0.005","8.506","0.005","11.882","0.005","90","0.005","94.335","0.005","90","0.005","2995","2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C27 H31 Cl Cu F3 N4 O4.5 S -","- C27 H28 Cl Cu F3 N4 O4.5 S -","- C108 H112 Cl4 Cu4 F12 N16 O18 S4 -","4","1","","Pallavicini, Piersandro; Amendola, Valeria; Massera, Chiara; Mundum, Etienne; Taglietti, Angelo","'On-off-on' fluorescent indicators of pH windows based on three separated components.","Chemical communications (Cambridge, England)","2002","","20","2452","2453","10.1039/b205951g","","","0.71069","MoKα","","0.1326","0.0461","","","0.0968","0.1258","","","","","","0.584","","","","has coordinates","244046","2020-10-21","18:00:00",""
"7125863","14.3043","0.0011","9.7587","0.0007","12.3878","0.0007","90","","105.846","0.007","90","","1663.5","0.2","295.9","0.2","295.9","0.2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Deng, Xiong-Fei; Wang, Ying-Wei; Zhang, Shi-Qi; Li, Ling; Li, Guang-Xun; Zhao, Gang; Tang, Zhuo","An organocatalytic asymmetric Friedel-Crafts reaction of 2-substituted indoles with aldehydes: enantioselective synthesis of α-hydroxyl ketones by low loading of chiral phosphoric acid.","Chemical communications (Cambridge, England)","2020","56","16","2499","2502","10.1039/c9cc09637j","","x-ray","1.54184","CuKα","","0.096","0.0933","","","0.2933","0.2996","","","","","","1.372","","","","has coordinates","248816","2020-10-21","18:00:00",""
"7125864","20.4932","0.0017","25.8736","0.0011","9.652","0.0004","90","","99.109","0.006","90","","5053.3","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H38 N6 O4 Zn2 -","- C42 H38 N6 O4 Zn2 -","- C168 H152 N24 O16 Zn8 -","4","1","","Ma, Xue; Zhang, Yanhao; Gao, Yu; Li, Xinglin; Wang, Cuijie; Yuan, Hang; Yu, Ajuan; Zhang, Shusheng; Cui, Yuanyuan","Revelation of the chiral recognition of alanine and leucine in an l-phenylalanine-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","7","1034","1037","10.1039/c9cc05912a","","","0.71073","MoKα","","0.0869","0.0539","","","0.1599","0.1808","","","","","","1.086","","","","has coordinates,has disorder","247171","2020-10-21","18:00:00",""
"7125880","40.8647","0.0013","28.7021","0.0009","26.5738","0.0009","90","","129.6","0.001","90","","24015.7","1.4","120","2","119.96","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C206 H299 N33 O21 P2 -","- C191 H261 N32 O20.9438 P2 -","- C764 H1044 N128 O83.7752 P8 -","4","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.104","0.0958","","","0.2211","0.2269","","","","","","1.064","","","","has coordinates,has disorder","248819","2020-10-21","18:00:00",""
"7125881","40.912","0.005","28.685","0.005","26.497","0.005","90","","129.742","0.012","90","","23911","8","120","2","119.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C204 H294 N32 O20 P2 -","- C188.46 H256.38 N31 O20 P2 -","- C753.84 H1025.52 N124 O80 P8 -","4","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.106","0.0923","","","0.207","0.2127","","","","","","1.072","","","","has coordinates,has disorder","248819","2020-10-21","18:00:00",""
"7125905","17.2464","0.0006","7.0762","0.0002","28.17","0.001","90","","103.591","0.001","90","","3341.57","0.19","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C152 H208 O24 -","8","2","","Shi, Linlin; He, Yingdong; Gong, Jianxian; Yang, Zhen","Concise gram-scale synthesis of Euphorikanin A skeleton through a domino ring-closing metathesis strategy.","Chemical communications (Cambridge, England)","2020","56","4","531","534","10.1039/c9cc08830j","","x-ray","1.54178","CuKα","","0.0526","0.0513","","","0.1369","0.1384","","","","","","1.035","","","","has coordinates","247546","2020-10-21","18:00:00",""
"7126057","13.8399","0.0017","13.5554","0.0016","18.233","0.002","90","","100.627","0.002","90","","3361.9","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H46 Ag B F4 N4 -","- C37 H46 Ag B F4 N4 -","- C148 H184 Ag4 B4 F16 N16 -","4","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0617","0.06","","","0.1743","0.1781","","","","","","1.05","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126202","23.8608","0.0007","13.3771","0.0005","15.4092","0.0005","90","","101.705","0.003","90","","4816.2","0.3","139.9","0.8","139.9","0.8","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H51 Fe2 N4 O20.5 S2 -","- C39 H51 Fe2 N4 O20.5 S2 -","- C156 H204 Fe8 N16 O82 S8 -","4","1","","Wright, Mark A.; Wooldridge, Tyler; O'Connell, Maria A; Wright, Joseph A.","Ferracyclic carbonyl complexes as anti-inflammatory agents.","Chemical communications (Cambridge, England)","2020","56","31","4300","4303","10.1039/d0cc01449d","","x-ray","0.71073","MoKα","","0.1028","0.0639","","","0.1535","0.1753","","","","","","1.035","","","","has coordinates,has disorder","251579","2020-10-21","18:00:00",""
"7126561","23.123","0.002","9.7734","0.0009","6.3397","0.0006","90","","91.2914","0.0014","90","","1432.3","0.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H17 N5 O7 S -","- C10 H17 N5 O7 S -","- C40 H68 N20 O28 S4 -","4","1","","Xiao, Songjun; Lee, Wes; Chen, Fu; Zavalij, Peter Y.; Gutierrez, Osvaldo; Davis, Jeffery T.","Oxidation of 8-thioguanosine gives redox-responsive hydrogels and reveals intermediates in a desulfurization pathway.","Chemical communications (Cambridge, England)","2020","56","51","6981","6984","10.1039/d0cc02926b","","","0.71073","MoKα","","0.0452","0.0367","","","0.0587","0.0596","","","","","","1.186","","","","has coordinates","253773","2020-10-21","18:00:00",""
"7126576","19.541","0.005","7.511","0.0018","20.264","0.005","90","","113.102","0.007","90","","2735.7","1.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H16 N2 S Se -","- C13 H16 N2 S Se -","- C104 H128 N16 S8 Se8 -","8","2","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.1135","0.071","","","0.1738","0.2022","","","","","","1.066","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126735","15.4937","0.0009","9.734","0.0006","12.9942","0.0013","90","","119.954","0.002","90","","1698","0.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H40 Fe N2 O P2 -","- C42 H40 Fe N2 O P2 -","- C84 H80 Fe2 N4 O2 P4 -","2","0.5","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0337","0.0269","","","0.0503","0.0525","","","","","","1.044","","","","has coordinates","254929","2020-10-21","18:00:00",""
"7126856","46.8847","0.0019","4.9361","0.0002","11.2909","0.0005","90","","99.121","0.007","90","","2579.99","0.19","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C92 H80 N8 O4 S32 -","- C92 H80 N8 O4 S32 -","- C92 H80 N8 O4 S32 -","1","0.25","","Short, Jonathan I.; Blundell, Toby J.; Krivickas, Sara J.; Yang, Songjie; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee","Chiral molecular conductor with an insulator-metal transition close to room temperature.","Chemical communications (Cambridge, England)","2020","56","66","9497","9500","10.1039/d0cc04094k","","","0.71075","MoKα","","0.0515","0.0442","","","0.1289","0.1323","","","","","","1.143","","","","has coordinates,has disorder","255993","2020-10-21","18:00:00",""
"7126899","15.2412","0.0004","10.1051","0.0003","14.0138","0.0004","90","","100.491","0.003","90","","2122.24","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","Crizotinib","","","- C21 H22 Cl2 F N5 O -","- C21 H22 Cl2 F N5 O -","- C84 H88 Cl8 F4 N20 O4 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0696","0.0617","","","0.1681","0.1754","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126953","67.83","0.1","8.284","0.008","8.771","0.013","90","","90.65","0.05","90","","4928","11","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H54 N6 O6 S2 -","- C52 H54 N6 O6 S2 -","- C208 H216 N24 O24 S8 -","4","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","0.71073","MoKα","","0.0587","0.0437","","","0.0983","0.1072","","","","","","1.038","","","","has coordinates","255957","2020-10-21","18:00:00",""
"7127172","14.67","0.0013","11.5086","0.001","9.198","0.001","90","","121.404","0.001","90","","1325.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H7 Er N2 O10.5 -","- C8 H7 Er N2 O10.5 -","- C32 H28 Er4 N8 O42 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0254","0.0225","","","0.0517","0.054","","","","","","1.143","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127408","43.5147","0.0008","7.94643","0.00015","20.3986","0.0003","90","","100.944","0.0015","90","","6925.3","0.2","122.99","0.13","122.99","0.13","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H72 K3 Mo6 O16.5 P3 -","- C60 H72 K3 Mo6 O16.5 P3 -","- C240 H288 K12 Mo24 O66 P12 -","4","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0515","0.0452","","","0.1144","0.1196","","","","","","1.046","","","","has coordinates,has disorder","260650","2021-01-07","04:44:51",""
"7127414","18.6217","0.0009","9.3855","0.0004","14.7978","0.0006","90","","101.185","0.005","90","","2537.1","0.2","293","2","293","2","","","","","","","From datablock 201908210","6","C 1 2 1","C 2y","5","","","","- C23 H20 Br N3 O4 S -","- C23 H20 Br N3 O4 S -","- C92 H80 Br4 N12 O16 S4 -","4","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","","1.54184","CuKα","","0.0752","0.0545","","","0.1308","0.1691","","","","","","1.062","","","","has coordinates,has disorder","282923","2023-04-29","19:40:29",""
"7127417","18.6217","0.0009","9.3855","0.0004","14.7978","0.0006","90","","101.185","0.005","90","","2537.1","0.2","293","2","293","2","","","","","","","From datablock 201908210_CCDC1","6","C 1 2 1","C 2y","5","","","","- C23 H20 Br N3 O4 S -","- C23 H20 Br N3 O4 S -","- C92 H80 Br4 N12 O16 S4 -","4","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","x-ray","1.54184","CuKα","","0.0752","0.0545","","","0.1308","0.1691","","","","","","1.062","","","","has coordinates,has disorder","282923","2023-04-29","19:40:29",""
"7127843","19.8191","0.0006","16.1753","0.0004","15.5044","0.0005","90","","111.372","0.004","90","","4628.6","0.3","101.2","0.7","101.2","0.7","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H92 Al10 F0.5 O50 -","- C56 H92 Al10 F2 O48 -","- C112 H184 Al20 F4 O96 -","2","0.5","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","","1.3405","GaKα","","0.0472","0.0433","","","0.1124","0.1143","","","","","","1.004","","","","has coordinates","262482","2021-03-05","01:18:47",""
"7127867","27.51","0.002","5.7053","0.0005","10.3731","0.0009","90","","95.37","0.002","90","","1620.9","0.2","293","2","273.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Xie, Yi-Wen; Zhao, Zhen-Ni; Lin, Zi-Wei; Wang, Yu-Hao; Liu, Ya-Qun; Huang, Yi-Yong","Asymmetric Petasis reaction for the synthesis of chiral α- and β-butadienyl amines.","Chemical communications (Cambridge, England)","2021","57","19","2364","2367","10.1039/d0cc08241d","","","0.71073","MoKα","","0.0402","0.0373","","","0.1025","0.105","","","","","","1.033","","","","has coordinates","263636","2021-04-05","13:58:50",""
"7127936","16.9144","0.0008","7.7719","0.0004","22.6944","0.001","90","","107.66","0.001","90","","2842.7","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H17 N -","- C20 H17 N -","- C160 H136 N8 -","8","2","","Cheng, Cang; Zuo, Xiang; Tu, Dongdong; Wan, Bin; Zhang, Yanghui","Palladium-catalyzed diastereoselective cross-coupling of two aryl halides <i>via</i> C-H activation: synthesis of chiral eight-membered nitrogen heterocycles.","Chemical communications (Cambridge, England)","2021","57","23","2939","2942","10.1039/d1cc00398d","","","1.54178","CuKα","","0.0385","0.0383","","","0.1007","0.1009","","","","","","1.035","","","","has coordinates","263651","2021-04-05","14:02:39",""
"7128240","21.52","0.0004","5.2234","0.0001","16.801","0.0003","90","","93.046","0.002","90","","1885.89","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","(1R,2R,6S)-2-(4-nitrophenyl)-6-[(E)-4-nitrostyryl]-4-oxocyclohexane-1-carbaldehyde","","- C21 H18 N2 O6 -","- C21 H18 N2 O6 -","- C84 H72 N8 O24 -","4","1","","Bora, Pranjal; Jakkampudi, Satish; Parella, Ramarao; Sakkani, Nagaraju; Dai, Qipu; Bihani, Manisha; Arman, Hadi D.; Zhao, John C.-G.","Diastereodivergent synthesis of 4-oxocyclohexanecarbaldehydes by using the modularly designed organocatalysts upon switching on their iminium catalysis.","Chemical communications (Cambridge, England)","2021","57","43","5334","5337","10.1039/d1cc01020d","","x-ray","1.54184","CuKα","","0.0664","0.0553","","","0.1343","0.1373","","","","","","1.081","","","","has coordinates","265861","2021-06-05","17:24:39",""
"7128639","17.0243","0.0001","11.2874","0.0001","19.846","0.0002","90","","90.53","0.001","90","","3813.45","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C41 H31 Br N2 O3 -","- C41 H31 Br N2 O3 -","- C164 H124 Br4 N8 O12 -","4","1","","Yuan, Haoxuan; Hong, Kemiao; Liu, Xiangrong; Qian, Yu; Xu, Xinfang; Hu, Wenhao","Enantioselective assembly of 3,3-disubstituted succinimides <i>via</i> three-component reaction of vinyl diazosuccinimides with alcohols and imines.","Chemical communications (Cambridge, England)","2021","57","65","8043","8046","10.1039/d1cc02876f","","x-ray","1.54184","CuKα","","0.0556","0.0545","","","0.1491","0.1502","","","","","","1.066","","","","has coordinates","268569","2021-09-06","09:30:11",""
"7128893","25.6297","0.0008","6.39261","0.00018","12.469","0.0003","90","","114.818","0.003","90","","1854.26","0.1","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Liu, Hua-Wei; Wang, Dian-Liang; Jiang, Nan-Quan; Li, Hai-Yan; Cai, Zhong-Jian; Ji, Shun-Jun","Divergent synthesis of α-functionalized amides through selective N-O/C-C or N-O/C-C/C-N cleavage of aza-cyclobutanone oxime esters.","Chemical communications (Cambridge, England)","2021","57","75","9618","9621","10.1039/d1cc03348d","","","1.54178","CuKα","","0.0609","0.0559","","","0.1382","0.1455","","","","","","0.894","","","","has coordinates","269639","2021-10-06","13:55:54",""
"7129053","11.8344","0.0006","7.8851","0.0003","14.4218","0.0012","90","","113.414","0.005","90","","1234.96","0.14","297.98","0.1","297.98","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H17 Cl2 Cr N O3 -","- C7 H17 Cl2 Cr N O3 -","- C28 H68 Cl8 Cr4 N4 O12 -","4","1","","Han, Ding-Chong; Gong, Zhi-Xiang; Song, Ning; Tan, Yu-Hui; Li, Yu-Kong; Tang, Yun-Zhi; Du, Peng-Kang; Zhang, Hao","Ferroelectric properties, narrow band gap and ultra-large reversible entropy change in a novel nonlinear ionic chromium(VI) compound.","Chemical communications (Cambridge, England)","2021","57","85","11225","11228","10.1039/d1cc04751e","","x-ray","0.71073","MoKα","","0.0369","0.0346","","","0.1007","0.1026","","","","","","1.097","","","","has coordinates,has disorder","270377","2021-11-06","18:52:43",""
"7130268","8.9922","0.0002","9.5814","0.0003","7.2372","0.0002","90","","96.57","0.001","90","","619.45","0.03","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H10 F7 P Ru -","- C11 H10 F7 P Ru -","- C22 H20 F14 P2 Ru2 -","2","0.5","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0215","0.021","","","0.0507","0.0511","","","","","","1.089","","","","has coordinates,has disorder","276195","2022-06-23","21:55:47",""
"7130476","25.6236","0.0002","5.464","0.0001","8.1385","0.0001","90","","96.755","0.001","90","","1131.54","0.03","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","DDP","3,4-diaminofurazan-3,4-dinitro-1H-pyrazole-peroxosolvate","","- C5 H8 N8 O7 -","- C5 H8 N8 O7 -","- C20 H32 N32 O28 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Peroxosolvate discovery method leads to first cocrystal with three energetic components.","Chemical communications (Cambridge, England)","2022","58","63","8806","8809","10.1039/d2cc02024f","","","1.54184","CuKα","","0.0247","0.0244","","","0.0616","0.0617","","","","","","1.083","","","","has coordinates","277070","2022-08-04","21:54:44",""
"7130560","28.682","0.002","11.1603","0.0009","27.232","0.003","90","","112.691","0.003","90","","8042.3","1.2","170","","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H34 O2 -","- C48 H34 O2 -","- C384 H272 O16 -","8","2","","Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang","Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC04139A","","","0.71073","MoKα","","0.1227","0.0704","","","0.1628","0.1987","","","","","","1.018","","","","has coordinates","277323","2022-08-19","21:54:53",""
"7130653","20.07","0.002","8.2","0.0008","15.4395","0.0016","90","","123.721","0.006","90","","2113.4","0.4","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H28 N O4 V -","- C22 H28 N O4 V -","- C88 H112 N4 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0451","0.0324","","","0.0755","0.081","","","","","","1.032","","","","has coordinates","277619","2022-09-05","02:31:15",""
"7131003","18.9441","0.0017","5.3279","0.0005","13.3123","0.001","90","","98.087","0.008","90","","1330.3","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H10 F N O S -","- C17 H10 F N O S -","- C68 H40 F4 N4 O4 S4 -","4","1","","Xu, Zixuan; Wang, Zhaoyu; Zhang, Yanyun; Yao, Xiaokang; Ding, Meijuan; Shi, Huifang; An, Zhongfu","Self-contained photo-acid generators with high quantum yields triggered by photo-cyclization","Chemical Communications","2022","","","","","10.1039/D2CC04941D","","x-ray","0.71073","MoKα","","0.089","0.0514","","","0.093","0.1021","","","","","","0.96","","","","has coordinates","279266","2022-11-14","23:03:53",""
"7131112","26.7869","0.001","15.6539","0.0004","14.6425","0.0006","90","","125.081","0.006","90","","5024.5","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84 H126 Eu2 N4 O26 Ti4 -","- C84 H126 Eu2 N4 O26 Ti4 -","- C168 H252 Eu4 N8 O52 Ti8 -","2","0.5","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0673","0.0576","","","0.1565","0.1644","","","","","","1.074","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131113","26.861","0.003","15.6451","0.0009","14.6838","0.0017","90","","125.433","0.015","90","","5027.9","1.3","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84 H126 Eu2 N4 O26 Ti4 -","- C84 H126 Eu2 N4 O26 Ti4 -","- C168 H252 Eu4 N8 O52 Ti8 -","2","0.5","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0884","0.0687","","","0.1871","0.2042","","","","","","1.094","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131575","21.0745","0.0007","12.0391","0.0004","9.3014","0.0003","90","","107.027","0.003","90","","2256.49","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 N3 O8 -","- C20 H23 N3 O8 -","- C80 H92 N12 O32 -","4","1","","Mo, Nan-Nan; Miao, Yu-Hang; Xiao, Xiao; Hua, Yuan-Zhao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian","Catalytic asymmetric <i>de novo</i> construction of 4-pyrrolin-2-ones <i>via</i> intermolecular formal [3+2] cycloaddition of azoalkenes with azlactones.","Chemical communications (Cambridge, England)","2023","59","39","5902","5905","10.1039/d3cc01194a","","x-ray","1.54184","CuKα","","0.0439","0.0403","","","0.1102","0.1161","","","","","","1.037","","","","has coordinates,has disorder","284196","2023-06-05","03:43:36",""
"7131582","16.38","0.003","6.0768","0.0012","18.447","0.004","90","","93.389","0.009","90","","1833","0.6","300","2","300.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H20 F3 N3 O4 -","- C16 H20 F3 N3 O4 -","- C64 H80 F12 N12 O16 -","4","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.1229","0.0596","","","0.1572","0.195","","","","","","0.997","","","","has coordinates","284199","2023-06-05","03:45:32",""
"7131780","17.755","0.007","5.479","0.002","6.556","0.003","90","","103.98","0.02","90","","618.9","0.4","287","2","287","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C34 H24 O4 -","2","0.5","","Du, Jiping; Li, Hui; Wu, Tanping; Wang, Menglei; Cheng, Rui; Wu, Di; Yang, Yudong; Lan, Jingbo","Chemical resolution of spiroindanones and synthesis of chiroptical polymers with circularly polarized luminescence.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01748f","","","1.54178","CuKα","","0.0389","0.0378","","","0.0943","0.0951","","","","","","1.123","","","","has coordinates","284555","2023-06-29","08:28:53",""
"7131781","17.6508","0.0008","5.4506","0.0002","6.5314","0.0003","90","","103.95","0.001","90","","609.84","0.05","150","2","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C34 H24 O4 -","2","0.5","","Du, Jiping; Li, Hui; Wu, Tanping; Wang, Menglei; Cheng, Rui; Wu, Di; Yang, Yudong; Lan, Jingbo","Chemical resolution of spiroindanones and synthesis of chiroptical polymers with circularly polarized luminescence.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01748f","","","1.54178","CuKα","","0.0257","0.0257","","","0.0657","0.0658","","","","","","1.106","","","","has coordinates","284555","2023-06-29","08:28:56",""
"7132243","19.215","0.002","8.7897","0.0009","24.398","0.003","90","","92.331","0.013","90","","4117.3","0.8","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H21 B2 F4 N5 -","- C20 H21 B2 F4 N5 -","- C160 H168 B16 F32 N40 -","8","2","","Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong","Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification","Chemical Communications","2023","","","","","10.1039/D3CC04727J","","","1.54178","CuKα","","0.0806","0.0504","","","0.1212","0.1353","","","","","","0.938","","","","has coordinates","287074","2023-10-23","21:56:03",""
"7132544","26.38","0.004","7.7267","0.0009","12.814","0.0017","90","","98.307","0.013","90","","2584.5","0.6","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29.5 H24 Cl3 N4 -","- C29.5 H24 Cl3 N4 -","- C118 H96 Cl12 N16 -","4","1","","Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang","Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.","Chemical communications (Cambridge, England)","2024","60","9","1184","1187","10.1039/d3cc04864k","","x-ray","1.54184","CuKα","","0.1625","0.0958","","","0.2678","0.3543","","","","","","1.153","","","","has coordinates,has disorder","289378","2024-02-04","11:21:09",""
"7150049","22.523","0.017","3.912","0.003","6.979","0.005","90","","106.14","0.01","90","","590.7","0.8","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","4,4'-Biquinazoline","4,4'-Biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0608","0.0457","","","0.1045","0.1082","","","","","","0.965","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150102","47.011","0.001","13.325","0.001","14.106","0.001","90","","95.26","0.01","90","","8799.1","0.9","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C76 H123 N9 O20 -","- C76 H121 N9 O20 -","- C304 H484 N36 O80 -","4","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.1121","0.0665","","","0.1548","0.1804","","","","","","1.019","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150157","24.525","0.005","8.188","0.002","26.609","0.004","90","","116.853","0.014","90","","4767.2","1.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","(8a R,14a R,14b S)-11-(Carboxyethyl)-9,9-dimethyl-5,7,8,8a,9,9a,14a,15- octa-hydro-14H-benzo[g]quinolino-[2,3-a]quinolidine","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","2","","Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang","Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.","Organic & biomolecular chemistry","2005","3","15","2848","2858","10.1039/b503281d","","","0.71073","MoKα","","0.1373","0.0806","","","0.2046","0.2376","","","","","","1.022","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150209","15.479","0.0003","9.342","0.0003","11.04","0.0003","90","","117.071","0.002","90","","1421.54","0.07","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0432","0.0346","","","0.0717","0.0753","","","","","","1.069","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150210","15.49","0.003","9.339","0.0019","11.036","0.002","90","","117.09","0.03","90","","1421.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0488","0.0393","","","0.0755","0.081","","","","","","1.058","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150273","25.41","0.03","5.071","0.007","15.318","0.017","90","","106.77","0.01","90","","1890","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H54 N4 O10 S2 -","- C30 H54 N4 O10 S2 -","- C60 H108 N8 O20 S4 -","2","0.5","","Das, Apurba Kumar; Drew, Michael G. B.; Haldar, Debasish; Banerjee, Arindam","The role of the disulfide bond in amyloid-like fibrillogenesis in a model peptide system.","Organic & biomolecular chemistry","2005","3","19","3502","3507","10.1039/b509083k","","","0.71073","MoKα","","0.0927","0.0807","","","0.1717","0.1785","","","","","","1.176","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150343","9.6878","0.0016","5.3021","0.0006","15.229","0.003","90","","107.292","0.005","90","","746.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C6 H12 F N O2 -","- C6 H11 F N O2 -","- C24 H44 F4 N4 O8 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.0804","0.0669","","","0.1735","0.1826","","","","","","1.102","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150353","31.591","0.0006","10.875","0.0002","17.005","0.0002","90","","101.092","0.001","90","","5732.97","0.17","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C176 H328 N40 O32 Si16 -","8","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0776","0.0768","","","0.2123","0.2138","","","","","","1.034","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150354","17.326","0.0004","11.369","0.0003","17.395","0.0004","90","","116.838","0.002","90","","3057.38","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C24 H45 N5 O7 Si2 -","- C24 H45 N5 O7 Si2 -","- C96 H180 N20 O28 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0534","0.0533","","","0.1414","0.1415","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150405","18.4408","0.0021","5.2153","0.0006","24.8543","0.0028","90","","98.765","0.002","90","","2362.4","0.5","20","","20","","","","","","","","Sigma Aldrich","4","C 1 2 1","C 2y","5","L-Alanyl-L-alanyl-L-alanine","L-Alanyl-L-alanyl-L-alanine","","- C9 H18 N3 O4.5 -","- C9 H18 N3 O4.25 -","- C72 H144 N24 O34 -","8","2","","Rödel, E; Messerschmidt, M.; Dittrich, B.; Luger, P.","Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.","Organic & biomolecular chemistry","2006","4","3","475","481","10.1039/b514717d","","x-ray","0.71073","MoKa","","0.0247","0.0183","","","","0.0153","","","","","","0.665","","","","has coordinates","192340","2020-10-21","18:00:00",""
"7150417","20.536","0.012","5.165","0.003","16.872","0.01","90","","109.824","0.009","90","","1683.5","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-betaPhe-NHMe","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.121","0.0909","","","0.1912","0.2061","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150435","28.764","0.003","12.3834","0.0013","11.8736","0.0013","90","","104.728","0.002","90","","4090.4","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H68 N O13.5 -","- C39 H68 N O13.5 -","- C156 H272 N4 O54 -","4","1","","Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill","Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A.","Organic & biomolecular chemistry","2006","4","6","1014","1019","10.1039/b518182h","","","0.71073","MoKα","","0.0343","0.0314","","","0.0722","0.0731","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150533","13.352","0.0002","6.54","0.0001","32.4439","0.0005","90","","99.008","0.001","90","","2798.13","0.07","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","19β,28-epoxy-18α-olean-3β-yl acetate","","- C32 H52 O3 -","- C32 H52 O3 -","- C128 H208 O12 -","4","1","","Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.","Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes","Organic & Biomolecular Chemistry","2009","7","3","508","517","10.1039/b814448f","","","0.71073","MoKα","","0.0408","0.0355","","","0.0951","0.0994","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150534","13.2214","0.0004","6.4962","0.0002","29.842","0.0009","90","","93.615","0.002","90","","2558","0.13","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","A-neo-18α-olean-3(5)-en-28,19β-olide","","- C30 H46 O2 -","- C30 H46 O2 -","- C120 H184 O8 -","4","1","","Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.","Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes","Organic & Biomolecular Chemistry","2009","7","3","508","517","10.1039/b814448f","","","0.71073","MoKα","","0.0971","0.0462","","","0.0958","0.1158","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150580","16.115","0.002","10.4898","0.0013","10.9685","0.0014","90","","121.095","0.003","90","","1587.7","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 Cl N -","- C17 H24 Cl N -","- C68 H96 Cl4 N4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0517","0.0432","","","0.1006","0.1045","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150635","28.5943","0.0012","9.1264","0.0004","9.5011","0.0004","90","","90.748","0.002","90","","2479.22","0.18","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H24 N O5.5 S -","- C26 H24 N O5.5 S -","- C104 H96 N4 O22 S4 -","4","1","","Lorpitthaya, Rujee; Sophy, K. B.; Kuo, Jer-Lai; Liu, Xue-Wei","Highly stereoselective synthesis of aminoglycosides via rhodium-catalyzed and substrate-controlled aziridination of glycals","Organic & Biomolecular Chemistry","2009","7","7","1284","1287","10.1039/b823099b","","","0.71073","MoKα","","0.0814","0.07","","","0.2025","0.2216","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150713","30.294","0.008","6.4077","0.0017","7.0525","0.0019","90","","100.238","0.004","90","","1347.2","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","07114a","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0553","0.0394","","","0.0868","0.0922","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150871","19.246","0.006","5.8447","0.0016","14.509","0.005","90","","129.844","0.004","90","","1253.1","0.7","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Xu, Zhou; Mao, Jincheng; Zhang, Yawen","Highly enantioselective alkynylation of aldehydes catalyzed by a new oxazolidine‒titanium complex","Organic & Biomolecular Chemistry","2008","6","7","1288","1292","10.1039/b719624e","","","0.7107","MoKα","","0.033","0.0315","","","0.0792","0.0802","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150884","20.565","0.005","5.223","0.001","17.23","0.004","90","","105.921","0.008","90","","1779.7","0.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O3 -","- C16 H25 N3 O3 -","- C64 H100 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.7107","MoKα","","0.1033","0.0856","","","0.2327","0.2465","","","","","","1.087","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7151004","15.561","0.006","6.152","0.002","11.984","0.006","90","","122.08","0.03","90","","972.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Coen, Gerard P.; Hempenstall, Francis; Ljubez, Vera; Malone, John F.; Allen, Christopher C. R.; Hamilton, John T. G.","Regioselectivity and stereoselectivity of dioxygenase catalysed cis-dihydroxylation of mono- and tri-cyclic azaarene substrates","Organic & Biomolecular Chemistry","2008","6","21","3957","3966","10.1039/b810235j","","","1.54178","CuKα","","0.0324","0.0321","","","0.0844","0.0848","","","","","","1.141","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151112","11.8185","0.0004","11.0156","0.0004","18.8659","0.0008","90","","95.528","0.003","90","","2444.69","0.16","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","?","- C76 H88 N24 O44 -","- C76 H88 N24 O44 -","","","","Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling","Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction.","Organic & biomolecular chemistry","2007","5","11","1695","1701","10.1039/b703420b","","","","","","","","","","","","","","","","","","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151227","27.55","0.02","10.928","0.008","23.154","0.009","90","","90.42","0.05","90","","6971","8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42.67 H48.67 Cl2.67 N4 O9.67 S2 -","- C42.6667 H42.6667 Cl2.66667 N4 O9.66667 S2 -","- C256 H256 Cl16 N24 O58 S12 -","6","1.5","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","0.71073","MoKα","","0.1477","0.0872","","","0.2237","0.2484","","","","","","0.954","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151233","17.9151","0.0005","9.5994","0.0003","12.1722","0.0004","90","","119.664","0.0013","90","","1818.96","0.1","190","","190","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0424","0.0324","","0.0465","0.0365","0.0365","","","","","","1.1371","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151238","26.338","0.013","9.477","0.005","32.834","0.015","90","","97.759","0.006","90","","8121","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 I2 N2 O2 -","- C20 H30 I2 N2 O2 -","- C280 H420 I28 N28 O28 -","14","3.5","","Song, Yang; Tian, Tian; Wang, Ping; He, Hanping; Liu, Wulue; Zhou, Xiang; Cao, Xiaoping; Zhang, Xiao-Lian; Zhou, Xin","Phenol quaternary ammonium derivatives: charge and linker effect on their DNA photo-inducible cross-linking abilities.","Organic & biomolecular chemistry","2006","4","17","3358","3366","10.1039/b604552a","","","0.71073","MoKα","","0.093","0.0568","","","0.1393","0.1598","","","","","","1.044","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151311","18.188","0.003","7.049","0.001","17.257","0.002","90","","121.24","0.002","90","","1891.7","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0535","0.037","","","0.086","0.0943","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151373","20.7692","0.0018","6.0863","0.0004","14.9639","0.0013","90","","99.673","0.01","90","","1864.7","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H46 N4 O2 -","- C48 H46 N4 O2 -","- C96 H92 N8 O4 -","2","0.5","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0425","0.0334","","","0.0819","0.0847","","","","","","1.026","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151564","22.4427","0.0004","11.0768","0.0003","12.8817","0.0002","90","","114.475","0.002","90","","2914.55","0.11","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O9 S -","- C28 H34 N2 O9 S -","- C112 H136 N8 O36 S4 -","4","1","","Lee, Ai-Lan; Ley, Steven V.","The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers","Organic & Biomolecular Chemistry","2003","1","22","3957","","10.1039/b308761a","","","0.71073","MoKα","","0.0572","0.0449","","","0.0951","0.1023","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151602","14.8402","0.0003","10.5377","0.0002","9.7304","0.0002","90","","99.443","0.001","90","","1501.04","0.05","","","203","2","","","","","","","","4","C 1 2 1","C 2y","5","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C80 H64 N4 O4 -","2","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.063","0.0378","","","0.081","0.0894","","","","","","1.037","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151731","39.705","0.002","5.8312","0.0003","20.2162","0.0014","90","","91.296","0.002","90","","4679.4","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ?","","- C8 H12 Cl3 N O4 -","- C8 H12 Cl3 N O4 -","- C128 H192 Cl48 N16 O64 -","16","4","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.1714","0.0752","","","","0.1434","","","","","","1.059","","","","has coordinates,has disorder","193998","2020-10-21","18:00:00",""
"7151776","17.9518","0.0003","8.62335","0.00015","9.25071","0.00015","90","","96.1609","0.0015","90","","1423.78","0.04","123","","123","","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0815","0.0819","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151873","19.532","0.003","5.3933","0.0007","16.414","0.002","90","","90.279","0.012","90","","1729.1","0.4","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","","- C21 H24 Cl N O -","- C21 H24 Cl N O -","- C84 H96 Cl4 N4 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0527","0.0411","","","0.0918","0.0953","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151900","26.995","0.005","6.0828","0.0012","14.322","0.003","90","","117.723","0.003","90","","2081.8","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C88 H128 O32 -","4","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.067","0.061","","","0.1594","0.1647","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151937","24.17","0.004","7.6936","0.0012","12.38","0.002","90","","112.922","0.003","90","","2120.3","0.6","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0637","0.0487","","","0.114","0.121","","","","","","0.96","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152074","16.779","0.003","10.0638","0.0017","11.0022","0.0019","90","","103.905","0.004","90","","1803.4","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","","0.71073","MoKα","","0.0409","0.0355","","","0.0896","0.0936","","","","","","1.053","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152096","18.1428","0.0008","8.3337","0.0005","11.7816","0.0009","90","","94.391","0.006","90","","1776.11","0.19","130","","130","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","0.7107","MoKα","","0.0438","0.0374","","","0.0861","0.0906","","","","","","1.071","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152350","18.687","0.005","8.149","0.005","18.235","0.005","90","0.005","115.58","0.005","90","0.005","2504.7","1.8","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","azetidine","","","- C27 H33 N O2 S Si -","- C27 H33 N O2 S Si -","- C108 H132 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0623","0.0521","","","0.1137","0.1231","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152417","56.216","0.011","4.9368","0.001","15.39","0.003","90","","101.42","0.03","90","","4186.6","1.5","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H31 O6.5 -","- C21 H31 O6.5 -","- C168 H248 O52 -","8","2","","Zhang, Fan; Ding, Gang; Li, Li; Cai, Xiaoyue; Si, Yikang; Guo, Liangdong; Che, Yongsheng","Isolation, antimicrobial activity, and absolute configuration of the furylidene tetronic acid core of pestalotic acids A-G.","Organic & biomolecular chemistry","2012","10","27","5307","5314","10.1039/c2ob25469g","","","0.71073","MoKα","","0.1076","0.0853","","","0.1754","0.1886","","","","","","1.169","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152424","25.7271","0.0018","5.6497","0.0004","13.2772","0.0009","90","","112.41","0.001","90","","1784.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Williams, D Bradley G; Simelane, Sandile B.; Kinfe, Henok H.","Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols.","Organic & biomolecular chemistry","2012","10","29","5636","5642","10.1039/c2ob25540e","","","0.71073","MoKα","","0.0299","0.0291","","","0.0782","0.0794","","","","","","1.024","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152458","22.1832","0.0006","5.8375","0.0002","14.5119","0.0004","90","","105.895","0.0012","90","","1807.36","0.09","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C64 H124 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0494","0.0465","","0.121","0.1165","0.121","","","","","","0.9701","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152496","10.7772","0.0008","6.5073","0.0005","25.4062","0.0019","90","","90.353","0.006","90","","1781.7","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O4 -","- C19 H21 Br O4 -","- C76 H84 Br4 O16 -","4","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.0572","0.0528","","","0.1355","0.1394","","","","","","1.005","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152520","38.885","0.002","7.5009","0.0004","24.1696","0.0013","90","","123.084","0.002","90","","5906.7","0.6","100","2","","","","","","","","","Dipeptide synthesized according to Mutters procedure followed by acylation with the Fmoc alanine fluoride.","4","C 1 2 1","C 2y","5","","Fmoc-Ala-(R)-MeSer(psipro)-Ala-OtBu","","- C60 H74 N6 O14 -","- C60 H74 N6 O14 -","- C240 H296 N24 O56 -","4","1","","Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz","4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.","Organic & biomolecular chemistry","2012","10","33","6705","6716","10.1039/c2ob25732g","","","","","","0.0647","0.0608","","","0.1712","0.1763","","","","","","","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152582","60.024","0.005","11.4478","0.0008","8.7407","0.0006","90","","95.534","0.004","90","","5978.1","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 O3 Si2 -","- C20 H22 O3 Si2 -","- C240 H264 O36 Si24 -","12","3","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0688","0.0549","","","0.1359","0.1458","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152588","24.717","0.002","4.8349","0.0004","15.6744","0.0013","90","","113.833","0.002","90","","1713.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H11 I N O2 -","- C6 H10 I N O2.25 -","- C48 H80 I8 N8 O18 -","8","2","","Deshmukh, Sharad Chandrakant; Roy, Arundhati; Talukdar, Pinaki","Diastereoselective construction of syn-α-oxyamines via three-component α-oxyaldehyde-dibenzylamine-alkyne coupling reaction: application in the synthesis of (+)-β-conhydrine and its analogues.","Organic & biomolecular chemistry","2012","10","37","7536","7544","10.1039/c2ob26007g","","","0.71073","MoKα","","0.037","0.03","","","0.0674","0.0716","","","","","","0.904","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152700","17.6423","0.0005","7.4224","0.0002","13.8157","0.0004","90","","109.299","0.0012","90","","1707.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0341","0.0329","","0.0804","0.0791","0.0804","","","","","","0.9999","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152837","18.4983","0.0019","9.7453","0.001","14.3824","0.0015","90","","117.709","0.002","90","","2295.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 -","- C24 H25 Br N2 O4 -","- C96 H100 Br4 N8 O16 -","4","1","","Hu, Fang-Le; Wei, Yin; Shi, Min; Pindi, Suresh; Li, Guigen","Asymmetric catalytic aza-Morita-Baylis-Hillman reaction for the synthesis of 3-substituted-3-aminooxindoles with chiral quaternary carbon centers.","Organic & biomolecular chemistry","2013","11","12","1921","1924","10.1039/c3ob27495k","","","0.71073","MoKα","","0.0407","0.0353","","","0.0785","0.0806","","","","","","0.97","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152876","12.9249","0.0004","20.3503","0.0005","9.3869","0.0004","90","","124.73","0.001","90","","2029.13","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0644","0.0509","","","0.1056","0.1156","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152927","27.07","0.004","5.0325","0.0004","10.36","0.0014","90","","103.134","0.004","90","","1374.4","0.3","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0837","0.0499","","","0.1088","0.1259","","","","","","1.033","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153141","16.364","0.003","9.393","0.002","23.502","0.005","90","","103.82","0.03","90","","3507.8","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C88 H84 N2 O9 Se -","- C88 H84 N2 O9 Se -","- C176 H168 N4 O18 Se2 -","2","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1224","0.0739","","","0.1891","0.214","","","","","","1.184","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153142","16.387","0.003","9.477","0.002","23.828","0.005","90","","103.58","0.03","90","","3597","1.3","295","","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 S -","- C44 H42 N O4 S -","- C176 H168 N4 O16 S4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1038","0.0974","","","0.2276","0.2313","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153145","16.458","0.003","9.484","0.002","23.761","0.005","90","","103.26","0.03","90","","3609.9","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 Se -","- C44 H42 N O4 Se -","- C176 H168 N4 O16 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0704","0.0617","","","0.1469","0.1518","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153177","19.58","0.02","5.868","0.005","19.289","0.017","90","","111.93","0.03","90","","2056","3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0759","","","","0.2055","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153179","24.538","0.015","5.643","0.005","11.947","0.009","90","","95.19","0.02","90","","1647","2","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C72 H68 F12 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0695","","","","0.2148","","","","","","0.886","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153226","25.2548","0.0018","16.7371","0.0009","13.4129","0.001","90","","101.541","0.007","90","","5554.9","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C54 H46 Cl2 N4 O4 -","- C54.001 H46 Cl2 N4 O4 -","- C216.004 H184 Cl8 N16 O16 -","4","1","","Yang, Li; Qin, Song; Su, Xiaoyu; Yang, Fei; You, Jingsong; Hu, Changwei; Xie, Rugang; Lan, Jingbo","1,1'-Binaphthyl-based imidazolium chemosensors for highly selective recognition of tryptophan in aqueous solutions.","Organic & biomolecular chemistry","2010","8","2","339","348","10.1039/b908540h","","x-ray","0.71073","MoKα","","0.1068","0.0621","","","0.1277","0.1347","","","","","","1.085","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153240","16.861","0.015","4.981","0.004","16.109","0.014","90","","112.087","0.014","90","","1253.6","1.9","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H20 O5 -","- C12 H20 O5 -","- C48 H80 O20 -","4","1","","Giri, Awadut G.; Mondal, Mohabul A.; Puranik, Vedavati G.; Ramana, Chepuri V.","Effect of the allylic substituents on ring closing metathesis: the total synthesis of stagonolide B and 4-epi-stagonolide B.","Organic & biomolecular chemistry","2010","8","2","398","406","10.1039/b916198h","","","0.71073","MoKα","","0.149","0.072","","","0.1554","0.1731","","","","","","0.835","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153270","36.354","0.007","6.0133","0.0011","16.828","0.003","90","","117.068","0.003","90","","3275.8","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C144 H168 N12 O36 -","6","1.5","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0356","0.0311","","","0.0717","0.0738","","","","","","0.985","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153307","43.977","0.003","5.096","0.0003","8.3187","0.0006","90","","95.848","0.006","90","","1854.6","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.; Vicent, Cristian","Molecular recognition of N-protected dipeptides by pseudopeptidic macrocycles: a comparative study of the supramolecular complexes by ESI-MS and NMR.","Organic & biomolecular chemistry","2010","8","6","1329","1339","10.1039/b924981h","","","0.71073","MoKα","","0.058","0.0533","","","0.1587","0.1607","","","","","","1.151","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153356","29.4843","0.0005","6.439","0.001","12.7626","0.0002","90","","97.7664","0.0009","90","","2400.7","0.4","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","Cyclic diketal of methyl 3-oxo-5?-cholan-24-oate with pentaerythritol","","","- C55 H88 O8 -","- C55 H88 O8 -","- C110 H176 O16 -","2","0.5","","Ikonen, Satu; Nonappa,; Valkonen, Arto; Juvonen, Raija; Salo, Hannu; Kolehmainen, Erkki","Bile acid-derived mono- and diketals‒synthesis, structural characterization and self-assembling properties.","Organic & biomolecular chemistry","2010","8","12","2784","2794","10.1039/c003228j","","","0.71073","MoKα","","0.0542","0.0461","","","0.1022","0.1075","","","","","","1.002","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153367","19.2269","0.0006","10.7806","0.0004","12.217","0.0004","90","","94.896","0.003","90","","2523.07","0.15","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","1,4-bis(19-nor-17a-ethynyltestosterone-17b-acetate)phenylene","","- C52 H60 Cl6 O6 -","- C52 H60 Cl6 O6 -","- C104 H120 Cl12 O12 -","2","0.5","","Rodríguez-Molina, Braulio; Pozos, Arturo; Cruz, Ricardo; Romero, Margarita; Flores, Blas; Farfán, Noberto; Santillan, Rosa; Garcia-Garibay, Miguel A","Synthesis and solid state characterization of molecular rotors with steroidal stators: ethisterone and norethisterone.","Organic & biomolecular chemistry","2010","8","13","2993","3000","10.1039/c003778h","","x-ray","0.71073","MoKα","","0.127","0.0644","","","0.1451","0.18","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153521","21.0458","0.0009","5.9725","0.0002","13.3797","0.0007","90","","110.221","0.002","90","","1578.12","0.12","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1339","0.1506","","","","","","1.123","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153522","19.5297","0.0006","5.7494","0.0002","13.7124","0.0006","90","","105.224","0.002","90","","1485.65","0.1","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0708","0.0475","","","0.1099","0.1201","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153709","17.5956","0.0013","7.1768","0.0004","18.6281","0.0012","90","","114.02","0.004","90","","2148.7","0.3","137.6","","137.6","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 F3 N3 O6 -","- C18 H28 F3 N3 O6 -","- C72 H112 F12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0368","0.0315","","","0.067","0.0713","","","","","","1.086","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7154100","18.898","0.003","8.9379","0.0015","13.094","0.002","90","","107.023","0.011","90","","2114.8","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 Br N3 O5 S2 -","- C16 H18 Br N3 O5 S2 -","- C64 H72 Br4 N12 O20 S8 -","4","1","","Zhang, Huanrui; Wang, Baomin; Cui, Longchen; Li, Ying; Qu, Jingping; Song, Yuming","Organocatalytic enantioselective α-amination of 5-substituted rhodanines: an efficient approach to chiral N,S-acetals.","Organic & biomolecular chemistry","2014","12","45","9097","9100","10.1039/c4ob01921k","","","0.71073","MoKα","","0.0526","0.0372","","","0.0908","0.0975","","","","","","1","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154125","17.5165","0.0003","5.8865","0.0001","23.614","0.0004","90","","94.997","0.001","90","","2425.61","0.07","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H27 N3 O2 -","- C32 H27 N3 O2 -","- C128 H108 N12 O8 -","4","1","","Zhang, Hong-Hao; Sun, Xiao-Xue; Liang, Jing; Wang, Yue-Ming; Zhao, Chang-Chun; Shi, Feng","Catalytic asymmetric Povarov reaction of isatin-derived 2-azadienes with 3-vinylindoles.","Organic & biomolecular chemistry","2014","12","47","9539","9546","10.1039/c4ob01741b","","","1.54178","CuKα","","0.0487","0.0441","","","0.1239","0.1322","","","","","","1.105","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154135","32.485","0.003","5.3094","0.0004","11.662","0.0007","90","","91.786","0.007","90","","2010.4","0.3","130","0.1","130","0.1","","","","","","","","4","C 1 2 1","C 2y","5","(4S)-4-Benzyl-3-[(1R,2S)-2-octylcyclopropane-1-oyl]oxazolidinone","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Shah, Sayali; White, Jonathan M.; Williams, Spencer J.","Total syntheses of cis-cyclopropane fatty acids: dihydromalvalic acid, dihydrosterculic acid, lactobacillic acid, and 9,10-methylenehexadecanoic acid.","Organic & biomolecular chemistry","2014","12","46","9427","","10.1039/c4ob01863j","","","1.5418","CuKα","","0.0681","0.0556","","","0.1287","0.1387","","","","","","0.991","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154150","24.9085","0.0009","7.8916","0.0003","16.9244","0.0007","90","","98.392","0.002","90","","3291.2","0.2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","LCLT517B","","","- C27 H56 O6 Si3 -","- C27 H56 O6 Si3 -","- C108 H224 O24 Si12 -","4","1","","Tizón, Lorena; Maneiro, María; Peón, Antonio; Otero, José M; Lence, Emilio; Poza, Sergio; van Raaij, Mark J.; Thompson, Paul; Hawkins, Alastair R.; González-Bello, Concepción","Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.","Organic & biomolecular chemistry","2015","13","3","706","716","10.1039/c4ob01782j","","x-ray","0.71073","MoKα","","0.0704","0.0483","","","0.0857","0.0958","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154156","24.45","0.004","5.8577","0.0007","20.328","0.003","90","","114.063","0.017","90","","2658.4","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H36 O3 P -","- C30 H37 O3 P -","- C120 H148 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1435","0.0707","","","0.1028","0.139","","","","","","1.027","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154247","14.1867","0.0012","12.1288","0.001","34.654","0.003","90","0.004","92.316","0.004","90","0.004","5958","0.9","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H40.5 N2.5 O4.5 S -","- C30 H40.5 N2.5 O4.5 S -","- C240 H324 N20 O36 S8 -","8","2","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.064","","","","0.239","","","","","","0.92","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154258","20.294","0.003","6.4701","0.0008","15.4757","0.0017","90","","96.306","0.004","90","","2019.7","0.4","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 O5 S -","- C23 H28 O5 S -","- C92 H112 O20 S4 -","4","1","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0768","0.0598","","","0.1608","0.172","","","","","","1.17","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154290","18.6244","0.0011","8.4267","0.0004","16.0611","0.0008","90","","93.118","0.005","90","","2516.9","0.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N4 O6 S2 -","- C21 H32 N4 O6 S2 -","- C84 H128 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0474","0.043","","","0.1128","0.1171","","","","","","1.039","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154308","27.206","0.005","6.873","0.005","10.231","0.005","90","0.005","92.155","0.005","90","0.005","1911.7","1.7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Vidyasagar, Adiyala; Sureshan, Kana M.","Total syntheses of five uvacalols: structural validation of uvacalol A, uvacalol B and uvacalol C and disproval of the structures of uvacalol E and uvacalol G.","Organic & biomolecular chemistry","2015","13","13","3900","3910","10.1039/c4ob02663b","","","0.71073","MoKα","","0.038","0.0326","","","0.0939","0.1254","","","","","","1.194","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154329","34.802","0.002","8.7586","0.0005","22.5029","0.0016","90","","120.418","0.009","90","","5915.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H81 N3 O12 -","- C64 H81 N3 O12 -","- C256 H324 N12 O48 -","4","1","","Ear, Alexandre; Amand, Séverine; Blanchard, Florent; Blond, Alain; Dubost, Lionel; Buisson, Didier; Nay, Bastien","Direct biosynthetic cyclization of a distorted paracyclophane highlighted by double isotopic labelling of l-tyrosine.","Organic & biomolecular chemistry","2015","13","12","3662","3666","10.1039/c5ob00114e","","","1.54187","CuKα","","0.0927","0.0658","","","0.1511","0.1897","","","","","","1.026","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154768","21.832","0.002","5.1765","0.0005","18.5849","0.0019","90","","103.747","0.002","90","","2040.2","0.3","303.9","","303.9","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl N2 O -","- C25 H19 Cl N2 O -","- C100 H76 Cl4 N8 O4 -","4","1","","Yang, Sai; Shen, Liu-Lan; Kim, Yoon-Jung; Jeong, Jin-Hyun","Effective and novel enantioselective preparation of pyranopyrazoles and pyranocoumarins that is catalyzed by a quinine-derived primary amine.","Organic & biomolecular chemistry","2015","14","2","623","630","10.1039/c5ob01656h","","","0.71073","MoKα","","0.1098","0.065","","","0.1376","0.1556","","","","","","1.064","","","","has coordinates,has disorder","176137","2020-10-21","18:00:00",""
"7154807","24.317","0.0011","13.776","0.0006","67.036","0.003","90","","91.6033","0.0013","90","","22447.7","1.7","100","2","100","2","","","","","","","soft coral","3","C 1 2 1","C 2y","5","","Isodecaryiol","","- C20 H34 O2 -","- C20 H34 O2 -","- C960 H1632 O96 -","48","12","","Rahelivao, Marie Pascaline; Gruner, Margit; Lübken, Tilo; Islamov, Daut; Kataeva, Olga; Andriamanantoanina, Hanta; Bauer, Ingmar; Knölker, Hans-Joachim","Chemical constituents of the soft corals Sinularia vanderlandi and Sinularia gravis from the coast of Madagascar.","Organic & biomolecular chemistry","2016","14","3","989","1001","10.1039/c5ob02280k","","x-ray","1.54178","CuKα","","0.0354","0.0347","","","0.1178","0.1187","","","","","","1.098","","","","has coordinates","176160","2020-10-21","18:00:00",""
"7154957","31.53","0.03","4.779","0.005","12.837","0.011","90","","100.97","0.04","90","","1899","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","JF95","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Ferreira, Juliana; Duarte, Vera C. M.; Noro, Jennifer; Gil Fortes, António; Alves, Maria J.","Total facial selectivity of a d-erythrosyl aromatic imine in [4π + 2π] cycloadditions; synthesis of 2-alkylpolyol 1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2016","14","10","2930","2937","10.1039/c5ob02594j","","x-ray","0.71073","MoKα","","0.1306","0.0801","","","0.1848","0.2182","","","","","","1.024","","","","has coordinates","177909","2020-10-21","18:00:00",""
"7155045","13.303","0.0011","10.8154","0.001","10.2401","0.0011","90","","109.676","0.011","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H30 O6 S2 -","- C30 H30 O6 S2 -","- C60 H60 O12 S4 -","2","0.5","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0464","0.0383","","","0.0943","0.1005","","","","","","1.046","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155079","37.5988","0.0015","14.8713","0.0006","8.2281","0.0003","90","","93.381","0.003","90","","4592.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","1:1 ?-glucofuranose BODIPY ester","","","- C44 H46 B2 N4 O17 -","- C44 H46 B2 N4 O17 -","- C176 H184 B8 N16 O68 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","","0.71073","MoKα","","0.092","0.0871","","","0.2318","0.2389","","","","","","1.081","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155082","23.8066","0.0009","5.4476","0.0002","10.6667","0.0004","90","","109.766","0.001","90","","1301.85","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H12 N4 O7 S -","- C9 H12 N4 O7 S -","- C36 H48 N16 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0243","0.0232","","","0.0578","0.0584","","","","","","1.072","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7155341","22.0361","0.001","8.9726","0.0004","18.4215","0.0008","90","","98.967","0.003","90","","3597.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H44 N2 O7 -","- C39 H44 N2 O7 -","- C156 H176 N8 O28 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1055","0.0977","","","0.2925","0.3097","","","","","","1.334","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155577","19.4281","0.0004","8.92102","0.00013","11.7047","0.0002","90","","105.986","0.002","90","","1950.19","0.06","107.8","0.4","107.8","0.4","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H24 Br O5 P -","- C16 H24 Br O5 P -","- C64 H96 Br4 O20 P4 -","4","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Ghosh, Sunil Kumar","Organocatalytic Decarboxylative Aldol Reaction of β-Ketoacids with α-Ketophosphonates en route for the Enantioselective Synthesis of Tertiary α-Hydroxyphosphonates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00796E","","x-ray","1.54184","CuKα","","0.0644","0.0585","","","0.148","0.1709","","","","","","1.136","","","","has coordinates","195413","2020-10-21","18:00:00",""
"7155581","18.8735","0.001","9.5367","0.0004","27.4383","0.0017","90","","104.585","0.006","90","","4779.5","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H36 N2 O6 -","- C23 H36 N2 O6 -","- C184 H288 N16 O48 -","8","2","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","","0.71073","","","0.050435","0.046071","","","","0.159827","","","","","","1.16679","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155605","17.4116","0.0008","19.0364","0.0009","17.372","0.0007","90","","97.836","0.003","90","","5704.3","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H64 Cl4 N6 O13 -","- C52 H64 Cl4 N6 O13 -","- C208 H256 Cl16 N24 O52 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1078","0.0724","","","0.1928","0.2145","","","","","","1.167","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155637","18.8983","0.0013","5.7625","0.0004","13.2709","0.0012","90","","116.426","0.008","90","","1294.21","0.19","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H9 I O2 -","- C15 H9 I O2 -","- C60 H36 I4 O8 -","4","1","","Mancuso, Raffaella; Pomelli, Christian Silvio; Malafronte, Francesco; Maner, Asif; Marino, Nadia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent syntheses of iodinated isobenzofuranones and isochromenones by iodolactonization of 2-alkynylbenzoic acids in ionic liquids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00962C","","","0.71073","MoKα","","0.0724","0.0629","","","0.1764","0.1954","","","","","","1.129","","","","has coordinates","196748","2020-10-21","18:00:00",""
"7155685","32.2353","0.0003","7.66968","0.00008","10.48751","0.00013","90","","99.2221","0.0011","90","","2559.36","0.05","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54178","CuKα","","0.0382","0.038","","","0.1093","0.1097","","","","","","1.052","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155762","26.413","0.004","8.3862","0.0013","12.2342","0.0018","90","","115.572","0.003","90","","2444.5","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H19 Cl2 N O2 -","- C29 H19 Cl2 N O2 -","- C116 H76 Cl8 N4 O8 -","4","1","","Zhao, Yu-Lei; Yuan, Yang; Xu, Murong; Zheng, Zhong; Zhang, Runhua; LI, Yanzhong","Selective synthesis of pyrrolo[1,2-a]azepines or 4,6-dicarbonyl indoles via tandem reactions of alkynones with pyrrole derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01516J","","","0.71073","MoKα","","0.0832","0.0555","","","0.1364","0.1542","","","","","","0.996","","","","has coordinates","198716","2020-10-21","18:00:00",""
"7155825","30.8271","0.0017","8.5867","0.0004","22.1213","0.0016","90","","108.296","0.003","90","","5559.6","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H65 F12 N7 O S2 -","- C52 H61 F12 N7 S2 -","- C208 H244 F48 N28 S8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.1022","0.0703","","","0.1652","0.1751","","","","","","1.046","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155839","26.9454","0.0014","5.9941","0.0003","20.0378","0.001","90","","121.992","0.001","90","","2744.8","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.2013","0.1195","","","0.2668","0.3179","","","","","","1.084","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155857","20.508","0.007","7.052","0.002","15.829","0.006","90","","120.795","0.015","90","","1966.5","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","KMK","","","- C21 H18 Br N2 O2 -","- C21 H18 Br N2 O2 -","- C84 H72 Br4 N8 O8 -","4","1","","Chen, Fu-Xue; Karmaker, Pran Gopal; Qiu, Jiashen; Wu, Di; Yin, Hongquan; Yang, Zhuo; Ren, Mengmeng","Enantioselective Electrophilic Cyanation of β-keto Amides Catalysed by Cinchona Organocatalyst","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01782K","","","0.71073","MoKα","","0.1353","0.0519","","","0.0887","0.1035","","","","","","0.934","","","","has coordinates","200116","2020-10-21","18:00:00",""
"7155866","18.7982","0.0016","6.0423","0.0005","14.304","0.0012","90","","101.908","0.004","90","","1589.7","0.2","150","2","150","2","","","","","","","Organic synthesis","5","C 1 2 1","C 2y","5","","(R,R)-3-(2-methylpropane-2-sulfinylamino)-2,2-dimethyl-3-phenylpropanoic acid","","- C15 H23 N O3 S -","- C15 H23 N O3 S -","- C60 H92 N4 O12 S4 -","4","1","","Cantú-Reyes, Margarita; Alvarado-Beltrán, Isabel; Ballinas-Indilí, Ricardo; Álvarez-Toledano, Cecilio; Hernández-Rodríguez, Marcos","Stereodivergent Mannich reaction of bis(trimethylsilyl)ketene acetals with N-tert-butanesulfinyl imines by Lewis acid or Lewis base activation, a one-pot protocol to obtain chiral β-amino acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01853C","","","1.54178","CuKα","","0.0455","0.0415","","","0.0959","0.0994","","","","","","1.139","","","","has coordinates","200273","2020-10-21","18:00:00",""
"7155932","27.2206","0.0007","8.3665","0.0002","13.1113","0.0003","90","","114.033","0.001","90","","2727.13","0.12","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2 1","C 2y","5","","","","- C27 H26 F N3 O7 S -","- C27 H26 F N3 O7 S -","- C108 H104 F4 N12 O28 S4 -","4","1","","Urban, Michal; Franc, Michael; Hofmanova, Marketa; Cisarova, Ivana; Vesely, Jan","The Enantioselective Addition of 1-Fluoro-1-nitro(phenylsulfonyl)methane to Isatin-Derived Ketimines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02408H","","","1.54178","CuKα","","0.0262","0.0258","","","0.0674","0.0677","","","","","","1.041","","","","has coordinates","202171","2020-10-21","18:00:00",""
"7155984","19.6367","0.0008","6.268","0.0002","20.8548","0.0012","90","","99.68","0.004","90","","2530.3","0.2","130","0.1","130","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C104 H112 Br8 N8 O24 -","8","2","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0722","0.047","","","0.1006","0.1216","","","","","","1.059","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7156047","33.616","0.0019","7.9053","0.0004","11.1852","0.0007","90","","91.38","0.002","90","","2971.5","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H43 N O4 Si -","- C27 H43 N O4 Si -","- C108 H172 N4 O16 Si4 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","0.71073","MoKα","","0.0538","0.0449","","","0.127","0.1375","","","","","","1.008","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156048","18.502","0.003","7.545","0.0013","14.387","0.002","90","","119.633","0.003","90","","1745.7","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Li, Kun; Zhu, Fu-Lin; Liu, Zhen-Ting; Tong, Jing; Hu, Xiang-Ping","Decarboxylation-promoted Pd-catalyzed asymmetric propargylic [3 + 2] annulation for the enantioselective construction of a quaternary stereocenter in 2,3-dihydrofurans.","Organic & biomolecular chemistry","2018","16","5","742","749","10.1039/c7ob02778h","","","0.71073","MoKα","","0.0568","0.0419","","","0.1067","0.1143","","","","","","0.985","","","","has coordinates","230673","2020-10-21","18:00:00",""
"7156115","17.823","0.002","6.9975","0.0007","27.834","0.004","90","","100.799","0.005","90","","3409.9","0.7","150","","150","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Henrion, S.; Macé, A; Vallejos, M. M.; Roisnel, T.; Carboni, B.; Villalgordo, J. M.; Carreaux, F.","Asymmetric synthesis of trans-4,5-disubstituted γ-butyrolactones involving a key allylboration step. First access to (-)-nicotlactone B and (-)-galbacin.","Organic & biomolecular chemistry","2018","16","10","1672","1678","10.1039/c8ob00101d","","x-ray","0.71073","MoKα","","0.0723","0.0468","","","0.101","0.1107","","","","","","1.024","","","","has coordinates","230595","2020-10-21","18:00:00",""
"7156125","23.0565","0.001","6.6594","0.0002","26.3805","0.0011","90","","117.81","0.006","90","","3582.7","0.3","173","0.1","173","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H68 O4 -","- C40 H68 O4 -","- C160 H272 O16 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0658","0.056","","","0.1325","0.1416","","","","","","1.002","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156142","13.2696","0.0016","7.0208","0.0008","28.171","0.003","90","","97.17","0.002","90","","2604","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H45 Cl O2 Si -","- C26 H45 Cl O2 Si -","- C104 H180 Cl4 O8 Si4 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0599","0.0576","","","0.1426","0.1434","","","","","","1.275","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156238","21.157","0.006","6.917","0.002","20.174","0.006","90","","98","0.03","90","","2923.6","1.5","293","","293","","","","","","","","see text","5","C 1 2 1","C 2y","5","compound 23","(1R,R~p~)-(1',3',5'(10')-estratrien-3'-ylmethyl) ethyl (1-hydroxy-2-methylsulfanyl-1-phenylethyl)phosphonate","","- C30 H41 O4 P S -","- C30 H41 O4 P S -","- C120 H164 O16 P4 S4 -","4","1","","Prechelmacher, Susanne; Mereiter, Kurt; Hammerschmidt, Friedrich","The α-hydroxyphosphonate-phosphate rearrangement of a noncyclic substrate - some new observations.","Organic & biomolecular chemistry","2018","16","19","3672","3680","10.1039/c8ob00419f","","x-ray","0.71073","MoKα","","0.0558","0.0441","","","0.1031","0.1197","","","","","","1.067","","","","has coordinates","230729","2020-10-21","18:00:00",""
"7156284","25.58","0.02","7.18","0.005","16.94","0.015","90","","125.27","0.03","90","","2540","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H38 N2 O3 S -","- C25 H38 N2 O3 S -","- C100 H152 N8 O12 S4 -","4","1","","Kennington, Stuart C. D.; Gómez-Palomino, Alejandro; Salomó, Ernest; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","General and stereoselective aminoxylation of biradical titanium(iv) enolates with TEMPO: a detailed study on the effect of the chiral auxiliary.","Organic & biomolecular chemistry","2018","16","26","4807","4815","10.1039/c8ob01074a","","","0.71073","MoKα","","0.0631","0.052","","","0.1416","0.1499","","","","","","1.047","","","","has coordinates","230702","2020-10-21","18:00:00",""
"7156664","36.5813","0.0018","6.2452","0.0003","13.6063","0.0007","90","","91.068","0.004","90","","3107.9","0.3","170","2","169.96","","","","","","","","","4","C 1 2 1","C 2y","5","Abinukitrine A","","","- C35 H49 N O4 -","- C35 H49 N O4 -","- C140 H196 N4 O16 -","4","1","","Li, Yong-Li; Xue, Li-Jun; Li, Jie; Chen, Li-Ming; Wu, Jian-Jun; Xu, Zhuo-Ni; Chen, Ying; Tian, Yu-Ping; Yang, Xian-Wen","Abinukitrine A, a unique 17,18-cyclolanostane triterpenoid from Abies nukiangensis.","Organic & biomolecular chemistry","2019","17","8","2107","2109","10.1039/c8ob03117g","","","1.34139","GaKα","","0.0373","0.0355","","","0.0892","0.0908","","","","","","1.052","","","","has coordinates","225084","2020-10-21","18:00:00",""
"7157000","11.1159","0.0001","13.1734","0.0001","28.2695","0.0003","90","","96.402","0.001","90","","4113.81","0.07","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N2 S -","- C24 H26 N2 S -","- C192 H208 N16 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0254","0.0253","","","0.0677","0.0678","","","","","","1.038","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157009","14.3834","0.0002","10.6941","0.0001","29.8026","0.0006","90","","98.643","0.002","90","","4532.1","0.12","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H30 N3 O0.5 S -","- C26 H29.84 N3 O0.4925 S -","- C208 H238.72 N24 O3.94 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0614","0.0537","","","0.1446","0.1525","","","","","","1.068","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157190","33.8739","0.0008","5.105","0.0001","14.1957","0.0003","90","","95.465","0.002","90","","2443.65","0.09","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H28 N3 O5 -","- C28 H27 N3 O5 -","- C112 H108 N12 O20 -","4","1","","Carceller-Ferrer, Laura; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, Jose R.","Organocatalytic Enantioselective Aminoalkylation of Pyrazol-3-ones with Aldimines Generated in Situ from α‐Amido Sulfones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02252J","","","1.54178","CuKα","","0.0509","0.0437","","","0.1133","0.1236","","","","","","0.968","","","","has coordinates","223445","2020-10-21","18:00:00",""
"7157205","24.3697","0.0019","9.1064","0.0007","6.6779","0.0006","90","","99.992","0.004","90","","1459.5","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0317","0.0314","","","0.0818","0.0824","","","","","","1.024","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157206","24.373","0.002","9.0977","0.0008","6.6706","0.0006","90","","99.828","0.004","90","","1457.4","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0355","0.0302","","","0.0716","0.0735","","","","","","0.973","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157207","24.2407","0.0008","9.1871","0.0003","6.5418","0.0003","90","","105.441","0.002","90","","1404.28","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0367","0.0331","","","0.0847","0.0865","","","","","","1.04","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157267","21.7423","0.0015","7.1223","0.0005","19.5816","0.0014","90","","101.416","0.007","90","","2972.3","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C136 H192 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0746","0.0556","","","0.1165","0.138","","","","","","1.098","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157269","13.1096","0.0016","6.5478","0.0007","34.244","0.004","90","","95.486","0.011","90","","2926","0.6","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H47 O4 -","- C34 H47 O4 -","- C136 H188 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0741","0.0539","","","0.1275","0.1398","","","","","","1.045","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157414","34.1049","0.0003","14.4311","0.0001","31.2664","0.0002","90","","102.554","0.001","90","","15020.5","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","phaseolide A-CS","","- C106.12 H104.87 Cl12 N24 O8.53 Zn6 -","- C106.128 H104.88 Cl12 N24 O8.532 Zn6 -","- C424.512 H419.52 Cl48 N96 O34.128 Zn24 -","4","1","","Morishita, Yohei; Sonohara, Terutaka; Taniguchi, Tohru; Adachi, Kiyohiro; Fujita, Makoto; Asai, Teigo","Synthetic-biology-based discovery of a fungal macrolide from Macrophomina phaseolina.","Organic & biomolecular chemistry","2020","18","15","2813","2816","10.1039/d0ob00519c","","x-ray","1.54184","CuKα","","0.0641","0.0572","","","0.1681","0.1757","","","","","","1.044","","","","has coordinates,has disorder","251735","2020-10-21","18:00:00",""
"7157456","19.7751","0.0007","7.6977","0.0003","13.7091","0.0005","90","","104.859","0.004","90","","2017.05","0.13","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H28 O2 Si -","- C22 H28 O2 Si -","- C88 H112 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","","0.71073","MoKα","","0.0275","0.0268","","","0.0715","0.072","","","","","","1.082","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157484","24.1998","0.0014","12.37","0.0006","9.5879","0.0006","90","","119.944","0.008","90","","2487","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C88 H92 Cl4 N8 O12 -","4","1","","Cui, Hao; Li, Ke; Wang, Yue; Song, Manman; Wang, Congcong; Wei, Donghui; Li, Er-Qing; Duan, Zheng; Mathey, François","Copper(i)/Ganphos catalysis: enantioselective synthesis of diverse spirooxindoles using iminoesters and alkyl substituted methyleneindolinones.","Organic & biomolecular chemistry","2020","18","19","3740","3746","10.1039/d0ob00546k","","x-ray","1.54184","CuKα","","0.0472","0.0448","","","0.1259","0.1291","","","","","","1.051","","","","has coordinates","252912","2020-10-21","18:00:00",""
"7157492","17.9619","0.0004","9.8922","0.0002","22.6104","0.0005","90","","96.832","0.002","90","","3988.95","0.15","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H17 Cl O4 -","- C25 H17 Cl O4 -","- C200 H136 Cl8 O32 -","8","2","","Yang, Xiao-Chao; Xu, Meng; Wang, Jin-Bao; Liu, Meng-Meng; Mathey, François; Hua, Yuan-Zhao; Wang, Min-Can","Enantioselective synthesis of indanone spiro-isochromanone derivatives via a dinuclear zinc-catalyzed Michael/transesterification tandem reaction.","Organic & biomolecular chemistry","2020","18","20","3917","3926","10.1039/d0ob00541j","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.106","0.1099","","","","","","1.036","","","","has coordinates","252914","2020-10-21","18:00:00",""
"7157496","19.2032","0.0009","6.11","0.0003","10.9617","0.0005","90","","103.271","0.001","90","","1251.81","0.1","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34.5 O17.25 -","- C24 H34.5 O17.25 -","- C48 H69 O34.5 -","2","0.5","","St-Gelais, Jacob; Denavit, Vincent; Giguère, Denis","Efficient synthesis of a galectin inhibitor clinical candidate (TD139) using a Payne rearrangement/azidation reaction cascade.","Organic & biomolecular chemistry","2020","18","20","3903","3907","10.1039/d0ob00910e","","x-ray","1.34139","GaKα","","0.0507","0.0507","","","0.1175","0.1176","","","","","","1.147","","","","has coordinates","252915","2020-10-21","18:00:00",""
"7157556","25.7843","0.0004","5.307","0.0001","18.5521","0.0003","90","","95.228","0.001","90","","2528.06","0.07","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.75 H27 Br N2 O4 -","- C28.75 H27 Br N2 O4 -","- C115 H108 Br4 N8 O16 -","4","1","","Roesner, Stefan; Beadle, Jonathan D.; Tam, Leo K. B.; Wilkening, Ina; Clarkson, Guy J.; Raubo, Piotr; Shipman, Michael","Development of oxetane modified building blocks for peptide synthesis.","Organic & biomolecular chemistry","2020","18","28","5400","5405","10.1039/d0ob01208d","","x-ray","1.54178","CuKα","","0.0775","0.0722","","","0.1947","0.2005","","","","","","1.054","","","","has coordinates,has disorder","255087","2020-10-21","18:00:00",""
"7157701","34.292","0.005","8.1908","0.0013","16.147","0.003","90","","111.061","0.005","90","","4232.4","1.2","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","(3R,3'S,4'R,4a'S,9a'R)-1-(tert-Butyl) 3'-ethyl 3''-benzyl-2,4'',9'-trioxo-2''-thioxo-4a',9a'- dihydro-1'H,3'H,9'H-dispiro[indoline-3,2'-xanthene-4',5''-thiazolidine]-1,3'-dicarboxylate","","- C37 H34 N2 O8 S2 -","- C37 H34 N2 O8 S2 -","- C148 H136 N8 O32 S8 -","4","1","","Song, Yong-Xing; Lin, Ye; Yan, Li; Du, Da-Ming","An organocatalytic domino Michael addition strategy: construction of bispiro[oxindole-thiazolidinone-hexahydroxanthone]s with five contiguous stereocenters.","Organic & biomolecular chemistry","2020","18","37","7373","7378","10.1039/d0ob01613f","","","0.71073","MoKα","","0.0404","0.0331","","","0.0846","0.0881","","","","","","1.058","","","","has coordinates,has disorder","258946","2020-11-06","13:07:10",""
"7157730","8.1628","0.0006","13.0501","0.0008","13.9274","0.001","90","","103.346","0.008","90","","1443.55","0.18","111.95","0.1","111.95","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0933","0.0948","","","","","","1.023","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7158052","25.4371","0.0005","6.95612","0.00016","15.3764","0.0002","90","","99.685","0.0016","90","","2681.98","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C116 H116 F4 N8 O12 -","4","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0879","0.0907","","","","","","1.033","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158453","43.685","0.009","10.18","0.002","12.884","0.003","90","","103.5","0.03","90","","5571","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H73 N7 O9 -","- C48 H73 N7 O9 -","- C192 H292 N28 O36 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.7","synchrotron","","0.0483","0.0455","","","0.1252","0.1281","","","","","","1.036","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158487","22.3405","0.0002","9.0682","0.0001","13.9052","0.0002","90","","127.433","0.001","90","","2236.9","0.05","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H34 O5 -","- C25 H34 O5 -","- C100 H136 O20 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0631","0.0623","","","0.1692","0.1704","","","","","","1.015","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158575","38.906","0.0012","5.7838","0.0002","11.1782","0.0003","90","","102.526","0.001","90","","2455.5","0.13","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C112 H160 O24 -","8","2","","Yang, Haidi; Liu, Jinyao; Hu, Pan; Gao, Liang; Huang, Zedu; Chen, Fen-Er","Asymmetric Total Synthesis of (+)-(2R,4’R,8’R)--Tocopherol Enabled by Enzymatic Desymmetrization","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00384H","","","1.34138","GaKα","","0.0483","0.0454","","","0.1234","0.127","","","","","","1.056","","","","has coordinates","273768","2022-03-18","01:38:44",""
"7158597","18.407","0.003","6.1109","0.0008","18.265","0.002","90","","118.358","0.004","90","","1808","0.4","138","2","138","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0388","0.0332","","","0.0715","0.0739","","","","","","1.047","","","","has coordinates","274092","2022-03-30","00:22:33",""
"7158675","19.615","0.004","6.752","0.0014","13.402","0.003","90","","114.86","0.03","90","","1610.5","0.7","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H50 N4 O11 -","- C28 H50 N4 O11 -","- C56 H100 N8 O22 -","2","0.5","","Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia","Dipeptide self-assembly into water-channels and gel biomaterial","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00622G","","","0.7","Synchrotron","","0.0263","0.0262","","","0.0713","0.0714","","","","","","1.065","","","","has coordinates","275170","2022-05-07","00:29:02",""
"7158897","17.0655","0.0008","10.6435","0.0005","16.6001","0.0008","90","","116.597","0.008","90","","2696.1","0.3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H41 N2 O4 -","- C27 H41 N2 O4 -","- C108 H164 N8 O16 -","4","1","","Ooka, Kaito; Nakanishi, Keisuke; Udagawa, Yutaro; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","Bioinspired total synthesis of boneratamides A–C","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00486K","","","1.54187","CuKα","","0.0559","0.0543","","","0.1549","0.1571","","","","","","1.064","","","","has coordinates","278152","2022-09-26","15:27:05",""
"7158985","23.3551","0.0019","6.4154","0.0005","14.5468","0.0012","90","","124.943","0.002","90","","1786.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H16 F2 N2 O -","- C24 H16 F2 N2 O -","- C96 H64 F8 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.048","0.0395","","","0.0935","0.0998","","","","","","1.022","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7159071","23.9849","0.0014","14.481","0.0008","12.3512","0.0006","90","","117.884","0.003","90","","3791.8","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H38 O10 -","- C32 H38 O10 -","- C128 H152 O40 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from <i>Artemisia mongolica</i> and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0898","0.0728","","","0.2117","0.2296","","","","","","1.072","","","","has coordinates","281570","2023-03-04","18:40:49",""
"7159205","35.93","0.05","5.117","0.008","10.707","0.016","90","","92.39","0.03","90","","1967","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0863","0.0522","","","0.1352","0.1641","","","","","","0.679","","","","has coordinates","283485","2023-05-05","03:27:01",""
"7159216","29.0654","0.0011","6.1584","0.0001","13.8163","0.0005","90","","129.016","0.006","90","","1921.5","0.19","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0408","0.038","","","0.0973","0.0993","","","","","","1.02","","","","has coordinates","283466","2023-05-05","03:21:27",""
"7159231","19.32005","0.00012","5.34244","0.00002","11.81711","0.00004","90","","98.3058","0.0004","90","","1206.92","0.01","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H26 N10 O14 -","- C18 H26 N10 O14 -","- C36 H52 N20 O28 -","2","0.5","","Takemura, Hirohide; Choi, Jae-Hoon; Fushimi, Keiji; Narikawa, Rei; Wu, Jing; Kondo, Mitsuru; Nelson, David C.; Suzuki, Tomohiro; Ouchi, Hitoshi; Inai, Makoto; Hirai, Hirofumi; Kawagishi, Hirokazu","Role of hypoxanthine-guanine phosphoribosyltransferase in the metabolism of fairy chemicals in rice.","Organic & biomolecular chemistry","2023","21","12","2556","2561","10.1039/d3ob00026e","","x-ray","1.54184","CuKα","","0.0288","0.0288","","","0.0784","0.0784","","","","","","1.064","","","","has coordinates","283484","2023-05-05","03:25:57",""
"7159304","12.3801","0.0002","5.46613","0.00014","18.0363","0.0004","90","","93.6831","0.0018","90","","1218.02","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","4d-OCF3","","- C11 H9 Br F3 N O3 -","- C11 H9 Br F3 N O3 -","- C44 H36 Br4 F12 N4 O12 -","4","1","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0259","0.025","","","0.0613","0.062","","","","","","1.047","","","","has coordinates","284314","2023-06-05","04:52:12",""
"7159384","28.851","0.0017","15.3005","0.0009","12.0037","0.0007","90","","96.747","0.002","90","","5262.2","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C65 H63 F N3 O6 Rh -","- C61 H55 F N3 O4 Rh -","- C244 H220 F4 N12 O16 Rh4 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0583","0.0506","","","0.1296","0.134","","","","","","1.043","","","","has coordinates","284960","2023-07-05","10:50:42",""
"7159409","25.755","0.003","6.9641","0.0008","8.7584","0.001","90","","94.153","0.004","90","","1566.8","0.3","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H12 F3 N O2 S -","- C17 H12 F3 N O2 S -","- C68 H48 F12 N4 O8 S4 -","4","1","","Wang, Wei; Qin, Zhaoliang; Tan, Ze; Yang, Wen","Organocatalytic enantioselective cross-aldol reaction of aryl ketones with heteroaromatic trifluoromethyl ketone hydrates for the synthesis of α-trifluoromethyl tertiary alcohols.","Organic & biomolecular chemistry","2023","21","25","5234","5239","10.1039/d3ob00619k","","","0.71073","MoKα","","0.0279","0.0275","","","0.0699","0.0702","","","","","","1.077","","","","has coordinates","284654","2023-06-29","13:24:06",""
"7159419","33.3058","0.0016","5.5217","0.0003","17.9538","0.0008","90","","106.418","0.002","90","","3167.2","0.3","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-(S)-5-benzyloxyazepan-2-one","","- C34 H37 N O7 -","- C34 H37 N O7 -","- C136 H148 N4 O28 -","4","1","","Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.","Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.","Organic & biomolecular chemistry","2023","21","24","5117","5128","10.1039/d3ob00392b","","","1.54178","CuKα","","0.0582","0.0536","","","0.1439","0.1481","","","","","","1.078","","","","has coordinates","284661","2023-06-29","13:37:26",""
"7159426","27.661","0.002","5.945","0.0004","12.9885","0.0011","90","","100.737","0.004","90","","2098.5","0.3","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C80 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.046","","","0.0976","0.1082","","","","","","0.93","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159437","23.66","0.002","6.1601","0.0006","14.0178","0.0013","90","","112.573","0.002","90","","1886.5","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N5 O6 -","- C19 H19 N5 O6 -","- C76 H76 N20 O24 -","4","1","","Fuchi, Yasufumi; Watanabe, Kouki; Shoji, Misa; Ito, Yuta; Hari, Yoshiyuki","Synthesis of purine derivatives of Me-TaNA and properties of Me-TaNA-modified oligonucleotides.","Organic & biomolecular chemistry","2023","21","25","5203","5213","10.1039/d3ob00745f","","","0.71073","MoKa","","0.0367","0.0365","","","0.0972","0.0974","","","","","","1.029","","","","has coordinates","284663","2023-06-29","13:47:27",""
"7159478","49.6825","0.0009","6.41808","0.00012","13.263","0.0002","90","","95.324","0.007","90","","4210.88","0.14","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C26 H38 O -","- C26 H37 O -","- C208 H296 O8 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1219","0.0912","","","0.2112","0.2313","","","","","","1.043","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159524","21.044","0.0012","5.1578","0.0003","19.5025","0.0011","90","","119.164","0.002","90","","1848.46","0.19","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","IISRX02RT","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0452","0.0417","","","0.116","0.1197","","","","","","1.047","","","","has coordinates","286796","2023-10-06","00:47:09",""
"7159604","12.4988","0.0003","7.09306","0.00015","13.9973","0.0003","90","","102.543","0.002","90","","1211.31","0.05","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl N3 O1.5 -","- C12 H15 Cl N3 O1.5 -","- C48 H60 Cl4 N12 O6 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0734","0.0739","","","","","","1.073","","","","has coordinates","288868","2024-01-06","09:25:47",""
"7159605","16.2851","0.0013","5.2346","0.0004","18.9492","0.0016","90","","112.304","0.01","90","","1494.5","0.2","120","1","120","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0636","0.0514","","","0.1298","0.139","","","","","","1.043","","","","has coordinates","288868","2024-01-06","09:25:50",""
"7159616","40.487","0.003","7.3959","0.0004","7.5817","0.0005","90","","95.636","0.007","90","","2259.3","0.3","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0956","0.0729","","","0.1559","0.1674","","","","","","1.073","","","","has coordinates,has disorder","288901","2024-01-06","09:46:44",""
"7159643","10.0224","0.0006","6.6552","0.0003","14.9401","0.0009","90","","107.562","0.006","90","","950.07","0.1","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H13 N O2 S -","- C8 H13 N O2 S -","- C32 H52 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.051","0.0416","","","0.1072","0.1154","","","","","","1.043","","","","has coordinates","288879","2024-01-06","09:32:32",""
"7159645","19.872","0.003","6.6196","0.0007","16.26","0.002","90","","108.918","0.016","90","","2023.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H15 N O2 S -","- C9 H15 N O2 S -","- C72 H120 N8 O16 S8 -","8","2","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1241","0.0752","","","0.1625","0.2078","","","","","","1.026","","","","has coordinates","288879","2024-01-06","09:32:58",""
"7159653","46.814","0.006","5.8604","0.0008","12.4797","0.0016","90","","105.085","0.007","90","","3305.8","0.8","273.15","","273.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C68 H80 N4 O32 -","- C68 H80 N4 O32 -","- C136 H160 N8 O64 -","2","0.5","","Shankar, Bhawani; Singh, Tejveer; Kumar, Banty; Arora, Aditi; Kumar, Sumit; Singh, Brajendra K.","Solvent-free synthesis and <i>in-silico</i> molecular docking study of (<i>E</i>)-3-(β-<i>C</i>-glycosylmethylidene)-<i>N</i>-aryl/alkyl succinimides.","Organic & biomolecular chemistry","2023","21","47","9398","9409","10.1039/d3ob01252b","","","0.71073","MoKα","","0.0545","0.0407","","","0.0897","0.099","","","","","","1.057","","","","has coordinates","288884","2024-01-06","09:35:39",""
"7200310","26.545","0.004","6.8628","0.001","17.018","0.003","90","","120.68","0.002","90","","2666.3","0.7","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H50 N6 O16 S4 Zn2 -","- C44 H50 N6 O16 S4 Zn2 -","- C88 H100 N12 O32 S8 Zn4 -","2","0.5","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0785","0.0546","","","0.1316","0.1495","","","","","","1.008","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200321","11.403","0.002","4.4101","0.001","30.27","0.006","90","","100.807","0.005","90","","1495.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Portell, Anna; Barbas, Rafael; Braga, Dario; Polito, Marco; Puigjaner, Cristina; Prohens, Rafel","New polymorphic hydrogen bonding donor‒acceptor system with two temperature coincident solid‒solid transitions","CrystEngComm","2009","11","1","52","","10.1039/b813086h","","","0.71073","MoKα","","0.0849","0.0623","","","0.1533","0.1776","","","","","","1.134","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200504","26.349","0.004","7.3596","0.0011","8.8067","0.0013","90","","101.072","0.002","90","","1676","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H8 Br N4 O -","- C20 H8 Br N4 O -","- C80 H32 Br4 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0309","0.0275","","","0.0577","0.0641","","","","","","0.987","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200505","26.469","0.003","7.274","0.0008","8.7625","0.001","90","","100.479","0.002","90","","1659","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H11 N4 O -","- C21 H11 N4 O -","- C84 H44 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0619","0.0481","","","0.1068","0.1238","","","","","","1.053","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200763","26.7","0.005","7.0199","0.0014","17.975","0.004","90","","115.95","0.03","90","","3029.4","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H90 Cl4 N8 O11 -","- C44 H76 Cl4 N8 O11 -","- C88 H152 Cl8 N16 O22 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2044","0.1134","","","0.2563","0.3102","","","","","","0.961","","","","has coordinates","218490","2020-10-21","18:00:00",""
"7200764","26.413","0.005","7.1135","0.001","15.775","0.003","90","","96.299","0.016","90","","2946.1","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H80 Cl4 N8 O6 -","- C44 H80 Cl4 N8 O6 -","- C88 H160 Cl8 N16 O12 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2316","0.142","","","0.3132","0.3527","","","","","","1.234","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7200809","19.485","0.009","7.084","0.003","12.134","0.007","90","","103.33","0.02","90","","1629.8","1.4","200","","200","","","","","","","","","6","C 1 2 1","C 2y","5","(Co(H2O)2(G1))(ClO4)","[Co(H2O)2(G1)](ClO4)","","- C13 H13 Cl Co N4 O8 -","- C13 H13 Cl Co N4 O8 -","- C52 H52 Cl4 Co4 N16 O32 -","4","1","","Su, Zhi; Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Liu, Guang-Xiang; Chu, Qian; Wang, Xiao-Feng; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, structure and property of cobalt(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoic acid","CrystEngComm","2009","11","5","873","","10.1039/b822394g","","","0.71075","MoKα","","0.0362","0.0339","","","0.0866","0.0886","","","","","","1.042","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200833","44.7","0.04","6.65","0.008","17.806","0.016","90","","108.97","0.07","90","","5005","9","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H36 Sn2 -","- C39 H36 Sn2 -","- C234 H216 Sn12 -","6","1.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.059","0.03","","","0.07","0.079","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200877","18.5904","0.0006","8.5393","0.0003","22.3795","0.0006","90","","106.848","0.002","90","","3400.23","0.19","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H24 N2 O5 Zn -","- C13 H24 N2 O5 Zn -","- C104 H192 N16 O40 Zn8 -","8","2","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0794","0.0493","","","0.0876","0.1008","","","","","","1.036","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7202008","9.2125","0.0006","11.6265","0.0005","9.8446","0.0007","90","","102.397","0.003","90","","1029.86","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H4 N2 O7 U -","- C6 H4 N2 O7 U -","- C24 H16 N8 O28 U4 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0194","0.0185","","","0.0439","0.0442","","","","","","1.058","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202039","28.945","0.007","8.655","0.002","14.105","0.004","90","","116.326","0.004","90","","3167.1","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Eu O8 -","- C22 H14 Eu O8 -","- C88 H56 Eu4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0755","0.0681","","","0.1828","0.1875","","","","","","1.115","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202040","29.007","0.006","8.6876","0.0017","14.166","0.003","90","","116.276","0.003","90","","3201","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 O8 Sm -","- C22 H14 O8 Sm -","- C88 H56 O32 Sm4 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0692","0.0684","","","0.1976","0.1986","","","","","","1.091","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202041","27.615","0.01","8.842","0.003","14.318","0.005","90","","114.311","0.004","90","","3186","1.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 La O8 -","- C22 H14 La O8 -","- C88 H56 La4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0696","0.0663","","","0.1919","0.1981","","","","","","1.119","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202042","28.912","0.008","8.789","0.002","14.257","0.004","90","","116.141","0.007","90","","3252.2","1.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Ce O8 -","- C22 H14 Ce O8 -","- C88 H56 Ce4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0648","0.0629","","","0.1838","0.1855","","","","","","1.133","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202043","28.905","0.008","8.622","0.003","14.066","0.004","90","","116.395","0.005","90","","3140.1","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Gd O8 -","- C22 H14 Gd O8 -","- C88 H56 Gd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.1077","0.0978","","","0.2416","0.2495","","","","","","1.053","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202044","28.769","0.012","8.723","0.003","14.179","0.006","90","","116.028","0.011","90","","3197","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Nd O8 -","- C22 H14 Nd O8 -","- C88 H56 Nd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0731","0.0676","","","0.1903","0.1935","","","","","","1.163","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202175","28.581","0.002","6.16","0.0005","14.2146","0.0011","90","","97.441","0.001","90","","2481.5","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.0486","0.0429","","","0.1016","0.1146","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202338","29.612","0.002","16.8947","0.0007","19.6973","0.0015","90","","114.532","0.003","90","","8964.7","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H45 Cl2 Co N4 O12.5 -","- C36 H28 Cl2 Co N4 O12.5 -","- C288 H224 Cl16 Co8 N32 O100 -","8","2","","Yao, Qing-Xia; Ju, Zhan-Feng; Li, Wei; Wu, Wei; Zheng, Shou-Tian; Zhang, Jie","Unprecedented 3D polycatenation based on ribbons of rings found in two metallosupramolecular polymers whose open frameworks show reversible collapse upon de- and rehydration","CrystEngComm","2008","10","10","1299","","10.1039/b810523p","","","0.71073","MoKα","","0.1039","0.0885","","","0.2488","0.2731","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202609","32.6557","0.0009","5.4751","0.001","14.9264","0.0005","90","","99.4","0.001","90","","2632.9","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","1a","nicotinamide-D-mandelic acid (1/1)","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","2","","Friščić, Tomislav; Jones, William","Cocrystal architecture and properties: design and building of chiral and racemic structures by solid‒solid reactions","Faraday Discussions","2007","136","","167","","10.1039/b616399h","","","0.71073","MoKα","","0.0703","0.055","","","0.1278","0.1374","","","","","","1.122","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202622","23.45","0.005","12.724","0.003","12.401","0.003","90","","108.45","0.03","90","","3510","1.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H29 Bi I9 N4 O0.5 S4 -","- C8 H28 Bi I9 N4 O0.5 S4 -","- C32 H112 Bi4 I36 N16 O2 S16 -","4","1","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0485","","","","0.1198","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202710","25.39","0.006","5.557","0.002","13.342","0.001","90","","93.826","0.014","90","","1878.3","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H20 N3 O0.5 -","- C23 H19 N3 O0.5 -","- C92 H76 N12 O2 -","4","1","","Smith, Nicole M.; Raston, Colin L.; Smith, Christopher B.; Sobolev, Alexandre N.","PEG mediated synthesis of amino-functionalised 2,4,6-triarylpyridines","Green Chemistry","2007","9","11","1185","","10.1039/b700893g","","","0.71073","MoKα","","0.1599","0.0905","","","0.2019","0.2378","","","","","","1.005","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202803","23.811","0.006","6.1672","0.0014","4.9037","0.0013","90","","100.84","0.02","90","","707.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C28 H36 Cl4 N4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.034","0.0284","","","0.0732","0.0747","","","","","","1.073","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202915","36.231","0.003","5.5605","0.0005","12.3394","0.0011","90","","92.661","0.002","90","","2483.2","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0453","0.0417","","","0.1031","0.1057","","","","","","1.039","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202916","36.599","0.006","5.6822","0.0009","12.545","0.002","90","","90.891","0.003","90","","2608.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H34 N2 O3 -","- C30 H33 N2 O3 -","- C120 H132 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.1499","0.0779","","","0.1861","0.2262","","","","","","1.043","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202917","36.751","0.008","5.6734","0.0012","12.304","0.003","90","","90.865","0.007","90","","2565.1","1","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H29 N2 O3 -","- C31 H35 N2 O3 -","- C124 H140 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.115","0.0874","","","0.229","0.2541","","","","","","1.024","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7203128","18.816","0.003","5.1374","0.0006","7.7556","0.001","90","","96.202","0.002","90","","745.31","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-pentamethylene bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C22 H28 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0879","0.0615","","","0.1641","0.1833","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203130","20.812","0.0011","5.1279","0.0001","7.9655","0.0004","90","","96.279","0.001","90","","844.99","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-heptamethylene bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13.008 H18.016 F6 O6 -","- C26.016 H36.032 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0288","0.0278","","","0.0691","0.0697","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203132","27.753","0.011","4.9906","0.001","7.992","0.003","90","","95.942","0.005","90","","1101","0.6","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate","","","- C17.24 H27.04 F6 O6 -","- C15 H22 F6 O6 -","- C30 H44 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0525","0.0496","","","0.1437","0.1481","","","","","","1.096","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203166","13.611","0.002","12.374","0.002","20.458","0.003","90","","93.146","0.018","90","","3440.4","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-tert-Butoxycarbonyl-L-alaninate 2-propanol solvate hydrate","","- C34 H51 N3 O10 -","- C34 H51 N3 O10 -","- C136 H204 N12 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.0555","0.0406","","","0.0687","0.0735","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203313","40.092","0.008","10.399","0.002","17.253","0.003","90","","92.43","0.03","90","","7187","2","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 Cr2 Mn3 N27 O8 -","- C57 H71 Cr2 Mn3 N27 O8 -","- C228 H284 Cr8 Mn12 N108 O32 -","4","1","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71073","MoKα","","0.0927","0.0744","","","0.1842","0.196","","","","","","1.073","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203622","19.8677","0.0014","5.2047","0.0004","13.8276","0.001","90","","128.451","0.002","90","","1119.77","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))COO\τimes0.5 H2O","","","- C16 H36 Ag2 N4 O5 -","- C16 H36 Ag2 N4 O5 -","- C32 H72 Ag4 N8 O10 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0262","0.0254","","","0.0649","0.0656","","","","","","1.043","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203626","24.132","0.006","6.8438","0.0016","11.751","0.003","90","","93.354","0.004","90","","1937.4","0.8","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))NO3","","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C48 H112 Ag8 N24 O24 -","8","2","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0552","0.0528","","","0.1471","0.1489","","","","","","1.109","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203746","12.9485","0.0018","5.9793","0.0008","8.6189","0.0012","90","","96.16","0.002","90","","663.45","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","binicotinic acid dihydrochloride","","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C24 H20 Cl4 N4 O8 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0243","0.0242","","","0.0636","0.0637","","","","","","1.07","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203750","24.024","0.006","10.689","0.002","10.982","0.002","90","","108.657","0.004","90","","2671.9","1","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","(tetraammine-kappa$2!O,O'-((S)-1,1'-bi-2-naphtholate(2- ))cadmium(ii))-bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","[tetraammine-κ^2^O,O'-((S)-1,1'-bi-2-naphtholate(2-))cadmium(II)]- bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","","- C62 H62 Cd N4 O9 -","- C62 H62 Cd N4 O9 -","- C124 H124 Cd2 N8 O18 -","2","0.5","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0308","0.0269","","","0.0454","0.0467","","","","","","0.93","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203756","29.649","0.006","21.016","0.004","12.252","0.003","90","","92.14","0.03","90","","7629","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H44 N18 O0.96 Zn2 -","- C76 H44 N18 O0.961 Zn2 -","- C304 H176 N72 O3.844 Zn8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1197","0.0818","","","0.205","0.2265","","","","","","0.951","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203869","19.831","0.002","5.786","0.001","16.453","0.002","90","0","110.57","0.01","90","0","1767.5","0.4","293","","","","","","","","","","Saigo laboratory","4","C 1 2 1","C 2y","5","","","","?","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko","Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network †","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","111","","10.1039/a905566e","","","1.54178","CuK-alpha","","","0.061","","","0.074","","","","","1.75","1.75","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203945","23.144","0.002","11.273","0.002","12.357","0.001","90","","114.86","0.01","90","","2925.2","0.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H27 Cl4 N O8 -","- C28 H27 Cl4 N O8 -","- C112 H108 Cl16 N4 O32 -","4","1","","Scheffler, Götz; Montavon, Francois; Hennig, Michael; Wessel, Hans Peter","Carbohydrate α-oxoketene N,O-ketals in the synthesis of dihydroquinolines","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","753","","10.1039/a908806g","","","1.54178","CuKα","","0.0603","0.0586","","","0.1602","0.1627","","","","","","1.048","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203961","17.776","0.005","18.613","0.009","10.124","0.003","90","","123.51","0.03","90","","2793","2","296.2","","296.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H36 Cl4 N10 O12 Zn2 -","- C27 H18 Cl2 N5 O6 Zn0.5 -","- C108 H72 Cl8 N20 O24 Zn2 -","4","1","","Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel","A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)","Journal of Materials Chemistry","2000","10","6","1419","","10.1039/b000417k","","","0.7107","MoKα","","0.0356","0.036","","0.039","","0.039","","","1.436","","","1.44","","","","has coordinates","277931","2022-09-16","22:15:54",""
"7204167","17.5592","0.0004","12.9874","0.0002","6.6031","0.0001","90","","112.004","0.001","90","","1396.14","0.04","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H15 Fe1.5 O12 -","- C9 H3 Fe1.5 O12 -","- C36 H12 Fe6 O48 -","4","1","","Myriam Riou-Cavellec; Catherine Albinet; Jean-Marc Grenèche; Gérard Férey","Study of the iron/trimesic acid system for the hydrothermal synthesis of hybrid materials","J. Mater. Chem.","","11","12","3166","3171","10.1039/b104495h","","","0.71073","MoKα","","0.0609","0.0578","","0.1606","0.154","","","","1.056","1.04","1.04","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204193","27.0233","0.0002","14.3417","0.0003","20.1259","0.0004","90","","96.751","0.001","90","","7745.9","0.2","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H21 B Br N O P -","- C18 H21 B Br N O P -","- C288 H336 B16 Br16 N16 O16 P16 -","16","4","","Leung, Wilson; Cosway, Sarah; Jones, Raymond H. V.; McCann, Hannah; Wills, Martin","Synthesis of dihydrobenzazaphosphole ligands via an intramolecular cyclisation reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2588","","10.1039/b105495n","","","0.71073","MoKα","","0.1126","0.0521","","0.1167","0.0954","","","","0.947","1.042","1.042","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204335","18.382","0.002","8.655","0.001","27.054","0.004","90","","102.55","0.02","90","","4201.3","1","293","","293","","","","","","","","?","4","C 1 2 1","C 2y","5","","","","- C18 H34 N4 O5 -","- C18 H30 N4 O5 -","- C144 H240 N32 O40 -","8","2","","Daniel D. Long; Martin D. Smith; Angeles Martín; Joseph R. Wheatley; David G. Watkin; Mattaius Müller; George W. J. Fleet","Complex tetrahydrofurans from carbohydrate lactones: THF amino acids as building blocks for unnatural biopolymers","J. Chem. Soc., Perkin Trans. 1","2002","","17","1982","1998","10.1039/b111258a","","","1.5418","CuKα","","","0.0745","","","","0.0971","","","","","","0.9078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204347","16.975","0.002","5.1909","0.0006","8.569","0.001","90","","92.386","0.003","90","","754.41","0.15","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","","Di-(2,3-dideoxy-3-methoxycarbonyl-beta-D-erythro-pentofuranose)- 1,5':1',5-dianhydride","","- C14 H20 O8 -","- C14 H20 O8 -","- C28 H40 O16 -","2","0.5","","Muldgaard, Lene; Thomsen, Ib B.; Hazell, Rita G.; Bols, Mikael","Investigation of the base promoted tandem syn-elimination‒Favorskii rearrangement of levoglucosan sulfonates","Journal of the Chemical Society, Perkin Transactions 1","2002","","10","1297","","10.1039/b200064b","","","0.71073","MoKα","","","0.078","","","","0.1","","","","","","1.72","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204366","20.51","0.11","7.34","0.03","8.17","0.04","90","","111.81","0.08","90","","1142","10","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(Bis-quinuclidine-protonated) (urea-iodide)","","- C8 H17.5 I0.5 N3 O -","- C8 H17.5 I0.5 N3 O -","- C32 H70 I2 N12 O4 -","4","1","","Nicolás Yutronic; Juan Merchán; Guillermo González; María Teresa Garland","Protonated bis(quinuclidine) included in layered bis(urea)‒bromide and -iodide hosts: new ternary urea inclusion compounds","J. Chem. Soc., Perkin Trans. 2","2002","","11","1956","1959","10.1039/b201053b","","","0.71073","MoKα","","0.0708","0.0409","","","0.1015","0.1163","","","","","","0.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204367","19.323","0.008","7.145","0.003","8.566","0.004","90","","112.19","0.03","90","","1095.1","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(Bis-quinuclidine-protonated) (urea-bromide)","","- C8 H17.5 Br0.5 N3 O -","- C8 H17.5 Br0.5 N3 O -","- C32 H70 Br2 N12 O4 -","4","1","","Nicolás Yutronic; Juan Merchán; Guillermo González; María Teresa Garland","Protonated bis(quinuclidine) included in layered bis(urea)‒bromide and -iodide hosts: new ternary urea inclusion compounds","J. Chem. Soc., Perkin Trans. 2","2002","","11","1956","1959","10.1039/b201053b","","","0.71073","MoKα","","0.1787","0.0607","","","0.1111","0.1489","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204448","21.614","0.002","9.8916","0.0008","9.674","0.0004","90","","113.459","0.002","90","","1897.3","0.2","123.2","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H40 Br2 O6 -","- C46 H40 Br2 O6 -","- C92 H80 Br4 O12 -","2","0.5","","Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi","Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene]","Journal of the Chemical Society, Perkin Transactions 2","2002","","11","1937","","10.1039/b204515j","","","0.7107","MoKα","","","0.0324","","","","0.0412","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204533","25.1727","0.0018","7.5583","0.0006","11.0247","0.0008","90","","93.739","0.002","90","","2093.1","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H23 N O -","- C28 H23 N O -","- C112 H92 N4 O4 -","4","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.036","0.0339","","","0.0883","0.0902","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204684","16.802","0.002","6.8884","0.0004","7.4787","0.0011","90","","115.119","0.01","90","","783.72","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 Co N O5 -","- C5 H4.5 Co N O5 -","- C20 H18 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0793","0.0747","","","0.1915","0.1962","","","","","","1.144","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204685","16.546","0.002","6.929","0.0005","7.4783","0.0008","90","","113.472","0.005","90","","786.42","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 N O5 Zn -","- C5 H4 N O5 Zn -","- C20 H16 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0563","0.0411","","","0.1137","0.1218","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7205069","18.984","0.003","7.3315","0.0011","16.506","0.003","90","","119.337","0.002","90","","2002.7","0.6","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H42 Cd3 O26 -","- C30 H42 Cd3 O26 -","- C60 H84 Cd6 O52 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0575","0.0467","","","0.081","0.0823","","","","","","1.021","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205609","10.0728","0.0007","7.394","0.0006","12.194","0.0007","90","","91.839","0.003","90","","907.72","0.11","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","","- C6 H16 N O4.5 -","- C6 H16 N O4.5 -","- C24 H64 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0351","0.0295","","","0.0671","0.0691","","","","","","1.045","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205610","10.0268","0.0016","7.2283","0.0012","14.15","0.002","90","","92.78","0.003","90","","1024.3","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0364","0.0315","","","0.0788","0.0809","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205614","9.906","0.003","7.645","0.002","11.427","0.003","90","","98.162","0.004","90","","856.6","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","","- C6 H15 N O4 -","- C6 H15 N O4 -","- C24 H60 N4 O16 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0276","0.027","","","0.0725","0.0728","","","","","","1.091","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205626","7.986","0.0002","7.0973","0.0002","15.2269","0.0004","90","","100.144","0.001","90","","849.56","0.04","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","yellow polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0254","0.0253","","","0.0671","0.0672","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205811","22.572","0.0013","21.1052","0.0012","20.6054","0.0013","90","","117.648","0.013","90","","8695.3","1.4","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 Dy14 O72 -","- C120 H198 Dy14 O72 -","- C240 H396 Dy28 O144 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0554","0.0324","","","0.0849","0.1022","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205812","22.9431","0.0016","21.5429","0.001","20.9251","0.0014","90","","117.282","0.009","90","","9192","1.2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 O72 Tb14 -","- C120 H198 O72 Tb14 -","- C240 H396 O144 Tb28 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0504","0.0416","","","0.0924","0.0945","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205816","28.336","0.006","8.9991","0.0018","21.869","0.004","90","","110.33","0.03","90","","5229","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H99 Br6 N9 Ni3 O28 -","- C82 H99 Br6 N9 Ni3 O28 -","- C164 H198 Br12 N18 Ni6 O56 -","2","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1406","0.0802","","","0.1967","0.2377","","","","","","0.992","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205999","29.2672","0.0013","6.2707","0.0002","7.4449","0.0002","90","","95.612","0.004","90","","1359.78","0.08","290","","290","","","","","","","","","5","C 1 2 1","C 2y","5","anilinium sulphate","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.0515","0.0476","","","0.1187","0.1223","","","","1.72","1.72","1.68","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206001","29.1811","0.0006","6.3632","0.0001","7.5091","0.0002","90","","94.993","0.002","90","","1389.04","0.05","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","Anilinium(1+) selenate","","","- C12 H16 N2 O4 Se -","- C12 H16 N2 O4 Se -","- C48 H64 N8 O16 Se4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.019","0.0188","","","0.063","0.0631","","","","1.54","1.54","1.54","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206313","18.519","0.008","13.366","0.006","7.971","0.004","90","","113.072","0.005","90","","1815.2","1.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0679","0.0634","","","0.1649","0.1694","","","","","","1.064","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206475","24.8265","0.0004","24.8265","0.0004","55.983","0.008","90","","102.811","","90","","33646","5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C217.5 Cu26 I40 N14 -","- C217.5 Cu26 I40 N14 -","- C870 Cu104 I160 N56 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.1254","0.0913","","","0.0947","0.0963","","","","3.16","3.16","2.61","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206611","21.96","0.005","5.8873","0.0013","10.731","0.003","90","","102.46","0.02","90","","1354.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 N2 O10 Zn -","- C26 H36 N2 O10 Zn -","- C52 H72 N4 O20 Zn2 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0691","0.041","","","0.0666","0.071","","","","","","0.924","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206612","21.574","0.003","5.9897","0.0003","14.1692","0.0018","90","","127.501","0.019","90","","1452.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Cu2 N2 O11 -","- C26 H36 Cu2 N2 O11 -","- C52 H72 Cu4 N4 O22 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0383","0.0309","","","0.0651","0.0667","","","","","","1.007","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206614","21.5285","0.001","5.9677","0.0003","11.6873","0.0006","90","","98.289","0.005","90","","1485.85","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H19 Cu N O9 -","- C11 H18 Cu N O9 -","- C44 H72 Cu4 N4 O36 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0562","0.037","","","0.0512","0.0538","","","","","","0.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206746","19.0321","0.0004","7.1489","0.0001","18.746","0.0004","90","","119.292","0.003","90","","2224.43","0.1","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H47 Cd3 N5 O25 -","- C34 H14 Cd3 N5 O25 -","- C68 H28 Cd6 N10 O50 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","1.54178","CuKα","","0.0304","0.0299","","","0.0867","0.0872","","","","","","1.158","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206833","39.03","0.002","11.8817","0.0002","27.633","0.0013","90","","123.78","0.007","90","","10651.2","1.2","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76 H154 Br6 N16 O21 Zn3 -","- C64 H80 Br6 N16 O8 Zn3 -","- C256 H320 Br24 N64 O32 Zn12 -","4","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0441","0.0388","","","0.1085","0.1254","","","","","","1.106","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206923","25.444","0.002","8.0222","0.0007","13.4912","0.0012","90","","106.518","0.001","90","","2640.1","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cl8 N2 O8 -","- C52 H50 Cl8 N2 O8 -","- C104 H100 Cl16 N4 O16 -","2","0.5","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt‒cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0739","0.0657","","","0.1713","0.1802","","","","","","1.029","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206989","15.027","0.011","5.096","0.003","18.258","0.007","90","","104.15","0.03","90","","1355.7","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0588","0.0519","","","0.1541","0.1593","","","","","","1.105","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207036","17.3858","0.0005","7.7932","0.0003","10.8696","0.0004","90","","93.685","0.003","90","","1469.69","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H36 Mn2 O20 -","- C22 H17 Mn2 O20 -","- C44 H34 Mn4 O40 -","2","0.5","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0398","0.0364","","","0.0944","0.0962","","","","","","1.024","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207120","15.308","0.003","16.129","0.002","7.999","0.002","90","","110.94","0.03","90","","1844.5","0.7","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cu N2 O5 S2 -","- C16 H14 Cu N2 O5 S2 -","- C64 H56 Cu4 N8 O20 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0845","0.0585","","","0.1231","0.1292","","","","","","1.023","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207131","27.298","0.004","10.7049","0.0012","15.889","0.003","90","","122.48","0.01","90","","3916.8","1.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C164 H170 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.046","0.0455","","","0.1181","0.1185","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207241","18.193","0.008","11.273","0.005","8.606","0.004","90","","91.271","0.008","90","","1764.6","1.4","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 Ag2 N8 O6 -","- C36 H41 Ag2 N8 O6 -","- C72 H82 Ag4 N16 O12 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0595","0.0543","","","0.1233","0.1262","","","","","","1.155","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207317","21.756","0.004","11.09","0.002","11.085","0.002","90","","119.155","0.002","90","","2335.7","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H52 Mn2 N8 O12 -","- C44 H52 Mn2 N8 O12 -","- C88 H104 Mn4 N16 O24 -","2","0.5","","Yang, Peng; He, Xiang; Li, Ming-Xing; Ye, Qiong; Ge, Jia-Zhen; Wang, Zhao-Xi; Zhu, Shou-Rong; Shao, Min; Cai, Hong-Ling","The first homochiral coordination polymer with temperature-independent piezoelectric and dielectric properties","Journal of Materials Chemistry","2012","22","6","2398","","10.1039/c2jm14961c","","","0.71073","MoKα","","0.0264","0.0246","","","0.0621","0.0632","","","","","","1.045","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207345","19.8127","0.0014","7.6404","0.0005","14.2901","0.0017","90","","132.817","0.003","90","","1586.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H12 Cl8 O4 Tl4 -","- C24 H12 Cl8 O4 Tl4 -","- C48 H24 Cl16 O8 Tl8 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0894","0.0831","","","0.2073","0.2133","","","","","","1.086","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7207445","19.885","0.004","4.208","0.0008","13.807","0.003","90","","100.83","0.03","90","","1134.7","0.4","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H15 Cu2 I2 N4 S2 -","- C21 H13 Cu2 I2 N4 S2 -","- C42 H26 Cu4 I4 N8 S4 -","2","0.5","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0562","0.056","","","0.1272","0.1273","","","","","","1.025","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207857","25.733","0.0006","13.582","0.0003","17.299","0.0004","90","","106.939","0.001","90","","5783.8","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H52 N4 O8 Zn2 -","- C72 H52 N4 O8 Zn2 -","- C288 H208 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1073","0.0561","","","0.1289","0.1506","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207875","38.6025","0.0014","5.7352","0.0002","6.3225","0.0003","90","","94.318","0.002","90","","1395.78","0.1","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 Cu O10 -","- C28 H34 Cu O10 -","- C56 H68 Cu2 O20 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0548","0.0498","","","0.131","0.1352","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207876","29.5909","0.0005","7.4519","0.0002","6.2317","0.0001","90","","90.979","0.002","90","","1373.94","0.05","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 O9 Zn -","- C28 H32 O9 Zn -","- C56 H64 O18 Zn2 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0449","0.0366","","","0.0866","0.1075","","","","","","1.037","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207879","28.998","0.012","5.76","0.002","8.162","0.003","90","","92.364","0.005","90","","1362.1","0.9","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 Cd O9 -","- C28 H32 Cd O9 -","- C56 H64 Cd2 O18 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0518","0.0436","","","0.0984","0.1064","","","","","","1.006","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207979","13.419","0.003","14.427","0.003","10.793","0.002","90","","90.773","0.003","90","","2089.3","0.7","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 Ag N5 O4 -","- C19 H26 Ag N5 O4 -","- C76 H104 Ag4 N20 O16 -","4","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.047","0.0457","","","0.1252","0.1264","","","","","","1.138","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208819","16.459","0.001","4.1097","0.0005","18.072","0.001","90","","93.72","0.01","90","","1219.84","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Cl2 N2 O Pb -","- C10 H8 Cl2 N2 O Pb -","- C40 H32 Cl8 N8 O4 Pb4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0585","0.0381","","","0.0686","0.0745","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7209157","23.511","0.004","7.6318","0.0012","18.196","0.003","90","","123.03","0.02","90","","2737.3","1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-2-butylammonium deoxycholate","(R)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C112 H204 N4 O16 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0663","0.0462","","","0.1115","0.1222","","","","","","1.05","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209603","19.056","0.005","24.415","0.006","15.698","0.004","90","","109.463","0.013","90","","6886","3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H70 O35 -","- C42 H70 O35 -","- C168 H280 O140 -","4","1","","Ramos, Ana I.; Braga, Teresa M.; Silva, Patrícia; Fernandes, José A.; Ribeiro-Claro, Paulo; Lopes, Maria de Fátima Silva; Paz, Filipe A. Almeida; Braga, Susana S.","Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action","CrystEngComm","2013","15","15","2822","","10.1039/c3ce26414a","","","0.71073","MoKα","","0.2548","0.1366","","","0.3486","0.3942","","","","","","0.918","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209774","17.795","0.0014","7.3167","0.0006","11.3957","0.0009","90","","97.479","0.001","90","","1471.1","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0447","0.0387","","","0.1067","0.1104","","","","","","1.066","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209775","17.857","0.01","7.324","0.004","11.409","0.006","90","","97.668","0.009","90","","1478.8","1.4","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0618","0.0527","","","0.1512","0.1585","","","","","","1.051","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7210272","18.871","0.013","18.123","0.013","14.501","0.01","90","","95.28","0.009","90","","4938","6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H13 Mn2 N6 O11 -","- C26 H13 Mn2 N6 O11 -","- C104 H52 Mn8 N24 O44 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0709","0.0502","","","0.1142","0.1225","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210337","38.752","0.005","12.287","0.003","7.909","0.002","90","","100.63","0.03","90","","3701.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 1.2-solvate 1.5-hydrate","","- C35.19 H43.75 N6 O14.69 -","- C35.189 H43.756 N6 O14.689 -","- C140.756 H175.024 N24 O58.756 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1778","0.0693","","","0.1202","0.1457","","","","","","0.873","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210497","21.088","0.004","12.195","0.002","12.63","0.003","90","","120.74","0.03","90","","2791.7","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H34 Co2 N4 O7 -","- C26 H34 Co2 N4 O7 -","- C104 H136 Co8 N16 O28 -","4","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0663","0.0478","","","0.1092","0.12","","","","","","1.025","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210501","21.225","0.002","17.3202","0.0018","21.869","0.002","90","","101.709","0.002","90","","7872.2","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H68 Cd4 N12 O33 -","- C72 H62 Cd4 N12 O33 -","- C288 H248 Cd16 N48 O132 -","4","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0358","0.0294","","","0.0679","0.0714","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7211065","26.8924","0.0007","5.1332","0.0001","13.0371","0.0004","90","","100.854","0.003","90","","1767.5","0.08","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","phenazopyridine","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0474","0.0379","","","0.0907","0.1062","","","","","","1.061","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7211473","21.96","0.004","7.655","0.0015","6.167","0.0012","90","","91.47","0.03","90","","1036.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0654","0.0655","","","","","","1.061","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211474","21.963","0.004","7.6577","0.0015","6.1689","0.0012","90","","91.48","0.03","90","","1037.2","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0652","0.0654","","","","","","1.09","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211512","19.225","0.011","24.547","0.014","15.708","0.009","90","","109.65","0.02","90","","6981","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","","- C190 H216.64 N4 O179.08 S2 -","- C47.5 H54.16 N O44.78 S0.5 -","- C190 H216.64 N4 O179.12 S2 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","1.5418","CuKa","","0.1526","0.0973","","","0.2387","0.2951","","","","","","1.067","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211513","18.497","0.005","24.186","0.006","15.336","0.006","90","0.04","111.13","0.03","90","0.03","6400","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3-(p- toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3- (p-toluenesulfonyl)urea inclusion complex","","- C188.52 H206.8 N4.56 O174.48 S1.52 -","- C47.13 H51.7 N1.14 O43.62 S0.38 -","- C188.52 H206.8 N4.56 O174.48 S1.52 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","0.8015","SYNCHROTRON","","0.079","0.0784","","","0.2183","0.2199","","","","","","1.24","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211543","19.283","0.002","9.7242","0.0013","30.545","0.004","90","","105.048","0.007","90","","5531.1","1.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","3189-81-07 minoxidil","3189-81-07 minoxidil : L-tartaric acid","","- C44 H74 N20 O17 -","- C44 H74 N20 O17 -","- C176 H296 N80 O68 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0523","0.0445","","","0.1195","0.1255","","","","","","1.006","","","","has coordinates,has disorder","188517","2020-10-21","18:00:00",""
"7211898","25.6208","0.0005","5.7067","0.0002","13.7826","0.0005","90","","118.962","0.001","90","","1763.14","0.1","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound X","","","- C39 H46 Cl2 N6 O -","- C39 H46 Cl2 N6 O -","- C78 H92 Cl4 N12 O2 -","2","0.5","","Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David","A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.","Physical chemistry chemical physics : PCCP","2010","12","15","3824","3833","10.1039/b916368a","","","0.71073","MoKα","","0.0415","0.037","","","0.0815","0.0831","","","","","","1.031","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7212012","31.7084","0.0016","5.6724","0.0002","22.6344","0.0011","90","","134.288","0.005","90","","2914.2","0.3","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H64 N8 -","- C48 H64 N8 -","- C96 H128 N16 -","2","0.5","","Dawson, Conor; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Channelled crystals formed by tubular stacking of a 4 + 4 phenylene-piperazine macrocycle","CrystEngComm","2010","12","4","1048","","10.1039/b917953d","","","0.71073","MoKα","","0.0934","0.0726","","","0.1895","0.1998","","","","","","1.063","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212240","14.248","0.003","17.705","0.004","9.7119","0.0019","90","","108.86","0.03","90","","2318.4","0.9","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H60 Cu2 F6 N5 O8 P -","- C48 H60 Cu2 F6 N5 O8 P -","- C96 H120 Cu4 F12 N10 O16 P2 -","2","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0253","0.0245","","","0.0661","0.0668","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212282","17.5352","0.0008","7.6758","0.0004","10.0025","0.0004","90","","113.78","0.003","90","","1232","0.1","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","1","","Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume","Solvent-free microwave-assisted Meyers’ lactamization","Green Chemistry","2010","12","6","961","","10.1039/b924111f","","","0.71073","MoKα","","0.1102","0.0448","","0.0747","0.0458","0.0431","","","","","","1.0751","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212318","20.575","0.002","5.5363","0.0005","18.7917","0.0019","90","","91.676","0.002","90","","2139.6","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Nakano, Yoko; Harada, Takunori; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Control of solid-state chiral optical properties of a chiral supramolecular organic fluorophore consisting of 1-pyrenesulfonic acid and chiral amine molecules","CrystEngComm","2010","12","6","1688","","10.1039/b924760m","","","0.71073","MoKα","","0.0596","0.049","","","0.1025","0.1078","","","","","","1.023","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212517","16.546","0.007","4.49","0.001","14.124","0.007","90","","125.5","0.13","90","","854.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0687","0.064","","","0.1629","0.1672","","","","","","1.261","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212519","18.443","0.017","7.313","0.005","15.038","0.016","90","","122.19","0.05","90","","1716","3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0441","0.0389","","","0.0911","0.094","","","","","","1.1","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212556","8.066","0.0002","25.1855","0.0006","9.8493","0.0003","90","","110.551","0.003","90","","1873.51","0.09","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 N2 O10 Zn -","- C18 H15 N2 O10 Zn -","- C72 H60 N8 O40 Zn4 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0458","0.0428","","","0.124","0.1346","","","","","","1.113","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212557","8.0918","0.0001","25.5718","0.0003","9.9599","0.0001","90","","111.096","0.002","90","","1922.8","0.05","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20.5 Mn N2 O10.25 -","- C18 H13.5 Mn N2 O10.25 -","- C72 H54 Mn4 N8 O41 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0831","0.0761","","","0.2025","0.2098","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212558","8.0565","0.0004","25.1374","0.0008","9.8567","0.0004","90","","110.482","0.005","90","","1869.98","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 Co N2 O10 -","- C18 H14 Co N2 O10 -","- C72 H56 Co4 N8 O40 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0741","0.0556","","","0.1395","0.1497","","","","","","0.999","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212730","26.172","0.005","15.846","0.003","20.566","0.007","90","","110.119","0.002","90","","8009","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C40 H0 Ag4 N16 O40 Si W12 -","- C40 Ag4 N16 O40 Si W12 -","- C160 Ag16 N64 O160 Si4 W48 -","4","1","","Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong","A new IR non-linear optical material with 2D 3-fold interpenetrated topology","CrystEngComm","2010","12","11","3490","","10.1039/c004554c","","","0.71073","MoKα","","0.0489","0.0451","","","0.1113","0.1142","","","","","","1.067","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212789","20.0656","0.0003","7.6866","0.001","20.2789","0.0003","90","","115.305","0.0009","90","","2827.6","0.4","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Salt of deoxycholic acid and melamine","","","- C27 H46 N6 O4 -","- C27 H46 N6 O4 -","- C108 H184 N24 O16 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0554","0.0481","","","0.12","0.1246","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212790","19.7152","0.0007","7.7592","0.0003","20.4722","0.0007","90","","115.078","0.002","90","","2836.5","0.18","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Cholic acid-melamine co-crystal hemihydrate","","","- C27 H47 N6 O5.5 -","- C27 H47 N6 O5.5 -","- C108 H188 N24 O22 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0858","0.0667","","","0.1514","0.1615","","","","","","1.099","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7212997","17.198","0.003","14.079","0.002","13.644","0.003","90","","112.801","0.011","90","","3045.5","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H37 Cl3 Cu2 N4 O6 -","- C54 H36 Cl6 Cu2 N4 O6 -","- C108 H72 Cl12 Cu4 N8 O12 -","2","0.5","","Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku","Copper(II)-assisted self-assembly of bis-N,O-bidentate Schiff bases: new building blocks for a double-helical supramolecular motif","Journal of the Chemical Society, Perkin Transactions 2","1999","","5","975","","10.1039/a809743g","","","0.71073","MoKα","","0.0828","0.0548","","0.2027","0.1439","","","","1.07","1.094","1.094","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213060","16.487","0.004","5.8204","0.0016","13.462","0.004","90","","132.58","0.02","90","","951.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H6 N2 O8 -","- C7 H6 N2 O8 -","- C28 H24 N8 O32 -","4","1","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.1226","0.0592","","","0.1143","0.1296","","","","","","1.012","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213175","37.76","0.04","5.74","0.006","10.91","0.012","90","","98.24","0.01","90","","2340","4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","","Hodgson, David M.; Gibbs, Andrew R.; Drew, Michael G. B.","Mechanism and applications of lithium amide-induced asymmetric rearrangements of 4-substituted and 4,4-disubstituted cyclopentene oxides to cyclopentenols","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3579","","10.1039/a907522d","","","0.71073","MoKα","","0.0923","0.0737","","","0.1831","0.2048","","","","","","1.012","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213184","19.513","0.004","24.024","0.005","16.414","0.003","90","","104.49","0.03","90","","7450","3","13","2","13","2","","","","","","","","3","C 1 2 1","C 2y","5","beta-CD/4,7-dimethylcoumarin heptadecahydrate","","","- C53 H114 O54 -","- C53 H59 O54 -","- C212 H236 O216 -","4","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 2. The β-cyclodextrin‒4,7-dimethylcoumarin inclusion complex: a new β-cyclodextrin dimer packing type, unanticipated photoproduct formation, and an examination of guest influence on β-CD dimer packing","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1095","","10.1039/a906041c","","","0.71073","MoKα","","0.085","0.0805","","","0.2027","0.2063","","","","","","1.109","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213294","23.4127","0.0009","7.1091","0.0002","14.806","0.0006","90","","108.146","0.003","90","","2341.8","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/quinoline complex","","- C41 H59 N7 O15 S2 -","- C41 H57 N7 O15 S2 -","- C82 H114 N14 O30 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0332","0.0329","","0.092","0.0915","0.092","","","1.061","","","1.061","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213295","23.471","0.002","7.1215","0.001","14.9304","0.0019","90","","108.268","0.014","90","","2369.8","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/alpha-naphthol complex","","- C42 H58 N6 O15 S2 -","- C42 H46 N6 O15 S2 -","- C84 H92 N12 O30 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.1431","0.0756","","0.2188","0.1792","0.2188","","","1.034","","","1.034","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213296","23.0227","0.0008","7.1467","0.0004","14.5544","0.0004","90","","104.644","0.003","90","","2316.94","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/2,2'-bipyridyl complex","","- C42 H60 N8 O15 S2 -","- C42 H46 N8 O15 S2 -","- C84 H92 N16 O30 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0398","0.037","","0.1036","0.1005","0.1036","","","1.095","","","1.095","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213297","23.4584","0.0006","7.1179","0.0002","14.8922","0.0005","90","","108.571","0.002","90","","2357.14","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/naphthalene complex","","- C42 H58 N6 O14.5 S2 -","- C42 H46 N6 O14.5 S2 -","- C84 H92 N12 O29 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0493","0.0435","","0.1389","0.1229","0.1389","","","1.149","","","1.149","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213298","23.3855","0.0005","7.1965","0.0003","14.7588","0.0004","90","","108.58","0.003","90","","2354.36","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/2-acetonaphthone complex","","- C44 H57 N6 O13.5 S2 -","- C44 H48 N6 O13.5 S2 -","- C88 H96 N12 O27 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.0339","0.0329","","0.0914","0.0899","0.0914","","","1.029","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213349","16.12","0.009","11.511","0.009","11.189","0.008","90","","96.329","0.01","90","","2064","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Currie, Gordon S.; Drew, Michael G. B.; Harwood, Laurence M.; Hughes, David J.; Luke, Richard W. A.; Vickers, Richard J.","Chirally templated boronic acid Mannich reaction in the synthesis of optically active α-amino acids","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2982","","10.1039/b003067h","","","0.7107","MoKα","","0.0762","0.0612","","","0.1629","0.1734","","","","","","1.064","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213351","24.943","0.001","7.053","0.002","11.366","0.004","90","","103.39","0.03","90","","1945.2","0.9","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","L-PGd-CS","L-phenylglycine(1S)-(+)-camphor-10-sulfonate","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C72 H100 N4 O24 S4 -","4","1","","Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi","Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2121","","10.1039/b003068f","","","1.54178","CuKα","","0.0641","0.0603","","","0.151","0.1537","","","","","","1.001","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213390","24.604","0.008","5.8049","0.0018","14.597","0.004","90","","111.784","0.006","90","","1935.9","1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22.5 H19 Br O1.5 -","- C22.5 H19 Br O1.5 -","- C90 H76 Br4 O6 -","4","1","","Aggarwal, Varinder K.; Smith, Helen W.; Hynd, George; Jones, Ray V. H.; Fieldhouse, Robin; Spey, Sharon E.","Catalytic cyclopropanation of electron deficient alkenes mediated by chiral and achiral sulfides: scope and limitations in reactions involving phenyldiazomethane and ethyl diazoacetate","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3267","","10.1039/b004367m","","","0.71073","MoKα","","0.1212","0.0658","","","0.1733","0.2006","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213415","23.443","0.004","7.0872","0.0012","14.896","0.006","90","","108.61","0.02","90","","2345.5","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/8-hydroxy quinoline complex","","- C41 H58 N7 O15.5 S2 -","- C41 H45 N7 O15.5 S2 -","- C82 H90 N14 O31 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, René; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Efficiency of cephalosporin complexation with aromatic compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","633","","10.1039/b005503o","","","0.71073","MoKα","","0.0768","0.0542","","0.1511","0.1373","0.1511","","","1.077","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213448","26.2381","0.0015","9.292","0.0003","16.1808","0.001","90","","105.905","0.007","90","","3793.9","0.4","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H66 N2 Si3 -","- C36 H66 N2 Si3 -","- C144 H264 N8 Si12 -","4","1","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.0497","0.0375","","","0.0818","0.0854","","","","","","0.937","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213494","24.555","0.003","8.5576","0.0011","6.714","0.0008","90","","98.416","0.01","90","","1395.6","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H18 N2 O9 -","- C12 H18 N2 O9 -","- C48 H72 N8 O36 -","4","1","","Ravn, Jacob; Thorup, Niels; Nielsen, Poul","A conformationally locked tricyclic nucleoside. Synthesis, crystal structure and incorporation into oligonucleotides","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1855","","10.1039/b104438a","","","0.71073","MoKα","","0.027","0.0262","","","0.0685","0.069","","","","","","1.04","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213732","19.9216","0.0004","7.4733","0.0001","15.2146","0.0003","90","","130.274","0.001","90","","1728.22","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Hup A Form S2","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0369","0.0361","","","0.1011","0.102","","","","","","1.053","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213849","16.696","","14.997","","7.4","","90","","104.42","","90","","1794.51","","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 N2 Ni O10 P -","- C10 H15 N2 Ni O10 P -","- C40 H60 N8 Ni4 O40 P4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0597","0.0553","","","0.1455","0.1487","","","","","","1.034","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213850","17.189","0.005","14.748","0.005","7.469","0.005","90","","100.047","0.005","90","","1864.4","1.5","195","2","195","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H30 Co2 N4 O21 P2 -","- C20 H30 Co2 N4 O21 P2 -","- C40 H60 Co4 N8 O42 P4 -","2","0.5","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71069","MoKα","","0.0598","0.0541","","","0.1285","0.1321","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213950","27.381","0.006","11.289","0.002","18.02","0.004","90","","117.075","0.004","90","","4959.6","1.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H94 Co4 N12 O27 -","- C112 H94 Co4 N12 O27 -","- C224 H188 Co8 N24 O54 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0893","0.0585","","","0.1293","0.1518","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214296","19.5109","0.0015","18.82","0.001","13.9091","0.0011","90","","109.813","0.004","90","","4805","0.6","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H60 Cu N2 O18 U2 -","- C40 H60 Cu N2 O18 U2 -","- C160 H240 Cu4 N8 O72 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1013","0.0678","","","0.1787","0.1941","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214327","28.197","0.0008","15.6401","0.0004","15.4989","0.0004","90","","100.242","0.002","90","","6726.2","0.3","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C130 H146 Br2 Co N8 O3 S16 -","- C130 H144 Br2 Co N8 O3 S16 -","- C260 H288 Br4 Co2 N16 O6 S32 -","2","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1023","0.0604","","","0.1504","0.1736","","","","","","1.033","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214476","27.4177","0.0012","8.2315","0.0003","13.7691","0.0007","90","","94.263","0.005","90","","3098.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd1.5 N6 O10 -","- C30 H25 Cd1.5 N6 O10 -","- C120 H100 Cd6 N24 O40 -","4","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0583","0.0464","","","0.1002","0.1043","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214633","34.7123","0.0006","6.19971","0.00011","7.24791","0.00013","90","","91.5454","0.0007","90","","1559.23","0.05","213.1","","213.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0395","","","","0.1172","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214634","38.2177","0.0007","6.1954","0.00011","7.19732","0.00013","90","","92.0811","0.0007","90","","1703.01","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0387","","","","0.1096","","","","","","1.207","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214635","37.4749","0.0007","6.19581","0.00011","7.19661","0.00013","90","","92.8197","0.0008","90","","1668.94","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C76 H72 Cl4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.042","","","","0.1111","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214636","35.5961","0.0009","6.21689","0.00018","7.1819","0.0002","90","","92.5391","0.0014","90","","1587.77","0.08","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 F N O2 -","- C19 H18 F N O2 -","- C76 H72 F4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0619","","","","0.1914","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214847","23.97","0.03","15.082","0.016","13.04","0.014","90","","111.702","0.01","90","","4380","9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C144 H192 Ag10 B10 F40 N32 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1479","0.1228","","","0.2479","0.2669","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214848","23.966","0.003","15.116","0.002","13.0659","0.0018","90","","111.746","0.001","90","","4396.5","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C144 H192 Ag10 Cl10 N32 O40 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0935","0.0821","","","0.173","0.1815","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215688","29.127","0.003","6.885","0.0002","18.849","0.0008","90","","114.089","0.006","90","","3450.8","0.4","100","2","100","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin hemihydrate","","","- C36 H42 F2 N6 O9 -","- C36 H42 F2 N6 O9 -","- C144 H168 F8 N24 O36 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1176","0.0624","","","0.1404","0.1636","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215690","17.856","0.003","6.989","0.001","36.502","0.007","90","","99.282","0.006","90","","4495.6","1.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Malonic Acid Hydrate","","","- C21 H21 F N3 O9 -","- C21 H21 F N3 O9 -","- C168 H168 F8 N24 O72 -","8","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.1829","0.0963","","","0.2613","0.3253","","","","","","1.032","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215692","18.103","0.0012","6.741","0.0004","23.923","0.0017","90","","93.8","0.007","90","","2913","0.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Tetramethylene glutaric acid salt","","","- C27 H29 F N3 O8 -","- C27 H29 F N3 O8 -","- C108 H116 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1699","0.0887","","","0.2253","0.2615","","","","","","0.996","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215694","17.06","0.02","6.916","0.007","19.12","0.02","90","","110.106","0.017","90","","2118","4","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C20 H21 F N3 O8 -","- C20 H21 F N3 O8 -","- C80 H84 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1369","0.0834","","","0.2168","0.2733","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215946","16.835","0.008","9.707","0.005","39.767","0.019","90","","90.522","0.01","90","","6498","6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C108 H106 Cl6 Cu3 N12 O65 -","- C108 H72 Cu3 N12 O27 -","- C216 H144 Cu6 N24 O54 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.126","0.0956","","","0.2194","0.234","","","","","","1.183","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216411","23.933","0.003","18.5408","0.0016","22.9605","0.0017","90","","108.96","0.011","90","","9635.7","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H102 Mn6 N4 O24 -","- C62 H102 Mn6 N4 O24 -","- C248 H408 Mn24 N16 O96 -","4","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1664","0.1876","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216881","14.546","0.001","6.262","0.001","35.155","0.003","90","","98.72","0.01","90","","3165.2","0.6","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H25 N O4 Si -","- C13 H25 N O4 Si -","- C104 H200 N8 O32 Si8 -","8","2","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.051","0.049","","","0.1297","0.1329","","","","","","1.04","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7217041","25.187","0.005","6.6672","0.0013","10.488","0.002","90","","100.653","0.011","90","","1730.9","0.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4?-bpy)(Hsersal)2].2H2O","","","- C30 H34 Cu2 N4 O10 -","- C30 H30 Cu2 N4 O10 -","- C60 H60 Cu4 N8 O20 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0558","0.0524","","","0.1632","0.1657","","","","","","1.091","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217042","24.8013","0.0018","6.8049","0.0006","10.5081","0.0007","90","","100.988","0.004","90","","1740.9","0.2","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-OMe-sal)2].CH3OH","","","- C33 H38 Cu2 N4 O11 -","- C33 H37 Cu2 N4 O11 -","- C66 H74 Cu4 N8 O22 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0534","0.049","","","0.1434","0.1518","","","","","","1.098","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217043","23.4854","0.0018","6.8789","0.0005","13.6839","0.0011","90","","101.685","0.004","90","","2164.9","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-NO2-sal)2].3DMSO","","","- C36 H46 Cu2 N6 O15 S3 -","- C36 H40 Cu2 N6 O15 S3 -","- C72 H80 Cu4 N12 O30 S6 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0654","0.0494","","","0.1315","0.1451","","","","","","0.935","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217071","25.8844","0.0002","14.2964","0.0002","14.2795","0.0002","90","","122.98","0.01","90","","4432.7","0.5","298","2","298","","","","100","","","","","4","C 1 2 1","C 2y","5","Rifampicin","(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11- methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino] methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1 (28),2,4,9,19,21,25(29),26-octaen-13-yl acetate","","- C43 H58 N4 O12 -","- C43 H58 N4 O12 -","- C172 H232 N16 O48 -","4","1","","Ibiapino, Amanda Laura; Seiceira, Rafael Cardoso; Pitaluga, Altivo; Trindade, Antonio Carlos; Ferreira, Fabio Furlan","Structural characterization of form I of anhydrous rifampicin","CrystEngComm","2014","16","36","8555","","10.1039/C4CE01157K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.767","","","","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217673","26.328","0.015","11.042","0.007","19.217","0.019","90","","129.1","0.004","90","","4335","6","296","2","296","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22.5 H37 Cl O5 -","- C22.125 H36.25 Cl0.5 O5 -","- C177 H290 Cl4 O40 -","8","2","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.1511","0.0782","","","0.1144","0.1362","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217674","9.1613","0.0004","11.8102","0.0007","16.996","0.0009","90","","95.829","0.005","90","","1829.4","0.17","290","1","290","1","","","","","","","","3","C 1 2 1","C 2y","5","crotonlaevin M","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","1.54184","CuKα","","0.0343","0.0341","","","0.0917","0.092","","","","","","1.058","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7218071","25.721","0.005","5.527","0.005","11.027","0.005","90","0.005","110.517","0.005","90","0.005","1468.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H26 Br2 -","- C40 H26 Br2 -","- C80 H52 Br4 -","2","0.5","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71069","MoKα","","0.0665","0.0531","","","0.1469","0.1589","","","","","","0.829","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218266","14.3843","0.0003","9.8961","0.0003","28.9183","0.0007","90","","100.764","0.002","90","","4044.05","0.18","292.1","0.6","292.1","0.6","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21.25 H19.5 Cl1.5 N2 O5 -","- C21.25 H19.5 Cl1.5 N2 O5 -","- C170 H156 Cl12 N16 O40 -","8","2","","Zhong, Yuan; Ma, Shixiong; Xu, Zhaoqing; Chang, Min; Wang, Rui","Organocatalytic asymmetric vinylogous Michael addition of 3-alkylidene oxindoles to α-substituted β-nitroacrylates: Facile construction of chiral all-carbon quaternary center","RSC Adv.","2014","","","","","10.1039/C4RA09128K","","","1.54184","CuKα","","0.0513","0.0488","","","0.1259","0.1305","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218828","19.03","0.002","11.569","0.002","16.376","0.002","90","","102.619","0.003","90","","3518.2","0.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H32 Cl N5 O5 -","- C40 H32 Cl N5 O5 -","- C160 H128 Cl4 N20 O20 -","4","1","","Yan, Chao Guo; Yang, Fan; Zhang, Li-Juan","Four-component reaction of N-alkylimidazoles (N-alkylbenzimidazoles), but-2-ynedioate, N-alkylisatins and malononitrile","RSC Adv.","2014","","","","","10.1039/C4RA12278J","","","0.71073","MoKα","","0.091","0.0512","","","0.1061","0.1271","","","","","","1.008","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218829","18.2584","0.0003","5.6362","0.0001","12.3333","0.0002","90","","95.487","0.001","90","","1263.38","0.04","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-(1-(1H-Indol-3-yl)ethyl)phenol","","- C16 H16 N O1.5 -","- C16 H16 N O1.5 -","- C64 H64 N4 O6 -","4","1","","Fleischer, Ivana; Pospech, Jola","Brønsted Acid-Catalyzed Hydroarylation of Activated Olefins","RSC Adv.","2014","","","","","10.1039/C4RA13647K","","","1.54178","CuKα","","0.023","0.0229","","","0.0634","0.0635","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218845","25.3691","0.0012","8.0242","0.0005","15.2135","0.0007","90","","119.171","0.003","90","","2704.2","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H64 N2 O10 S2 -","- C58 H64 N2 O10 S2 -","- C116 H128 N4 O20 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.1013","0.0805","","","0.2122","0.2352","","","","","","1.049","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218846","25.6094","0.0014","8.1885","0.0003","15.2041","0.0007","90","","118.79","0.004","90","","2794.2","0.2","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H68 N2 O10 S2 -","- C60 H68 N2 O10 S2 -","- C120 H136 N4 O20 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0861","0.0608","","","0.1504","0.1685","","","","","","1.022","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218912","18.7766","0.0006","24.6489","0.0008","15.3471","0.0005","90","","109.642","0.002","90","","6689.7","0.4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate","","- C53 H97 N O45 -","- C53 H79 N O45 -","- C212 H316 N4 O180 -","4","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1439","0.0688","","","0.1592","0.197","","","","","","1.013","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7219157","18.863","0.016","4.534","0.004","14.98","0.012","90","","113.37","0.02","90","","1176.1","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0454","0.0338","","","0.0913","0.1054","","","","","","0.845","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219511","57.018","0.004","5.1662","0.0004","9.3289","0.0006","90","","95.689","0.004","90","","2734.4","0.3","150","2","150","2","","","","","","","Crystal Screening","5","C 1 2 1","C 2y","5","S-mandelic acid cocrystal of lamivudine R-mandelate trihydrate","S-mandelic acid cocrystal of 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one R-mandelate trihydrate","","- C24 H33 N3 O12 S -","- C24 H33 N3 O12 S -","- C96 H132 N12 O48 S4 -","4","1","","da Silva, Cameron Capeletti; Martins, Felipe T.","The Enantiopreference in the Solid State Probed in Lamivudine Crystal Forms with Mandelic Acid","RSC Adv.","2015","","","","","10.1039/C5RA01398D","","","1.54178","CuKα","","0.0996","0.0677","","","0.1921","0.2133","","","","","","1.073","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219574","16.98717","0.00013","10.54777","0.00007","21.08715","0.00019","90","","108.039","0.0009","90","","3592.61","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H26.66667 N6 O1.33333 S9 Sn3 -","- H26.6667 N6 O1.33333 S9 Sn3 -","- H160 N36 O8 S54 Sn18 -","6","1.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.018","0.017","","","0.0335","0.0338","","","","","","1.025","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7219664","17.9396","0.0013","8.5245","0.0007","24.5138","0.0019","90","","98.789","0.008","90","","3704.8","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Sinulaflexiolide L","","- C40 H66 O11 -","- C40 H64 O10.5 -","- C160 H256 O42 -","4","1","","Chen, Wen-Ting; Li, J.; Wang, Jian-Rong; Li, Xu-Wen; Guo, Yue-Wei","Structural diversity of terpenoids in the Soft Coral Sinularia flexibilis, evidence by a collection from the South China Sea","RSC Adv.","2015","","","","","10.1039/C5RA01151E","","","0.71073","MoKα","","0.1093","0.0527","","","0.0946","0.1219","","","","","","0.966","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219826","20.41","0.004","5.8212","0.001","18.903","0.004","90","","95.216","0.007","90","","2236.6","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0535","0.0344","","","0.0649","0.0853","","","","","","1.1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219903","10.2342","0.0015","8.024","0.0013","6.3898","0.0009","90","","127.882","0.007","90","","414.15","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B5 H3 O11 Sr2 -","- B5 H3 O11 Sr2 -","- B10 H6 O22 Sr4 -","2","0.5","","Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng","Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O.","Physical chemistry chemical physics : PCCP","2015","17","16","10489","10496","10.1039/c5cp00864f","","","0.71073","MoKα","","0.0183","0.0174","","","0.0387","0.039","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219946","29.038","0.006","5.6706","0.0012","19.411","0.004","90","","123.093","0.006","90","","2677.8","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H35 N O6 S -","- C26 H35 N O6 S -","- C104 H140 N4 O24 S4 -","4","1","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.2378","0.1047","","","0.1834","0.2417","","","","","","1.066","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220403","25.314","0.006","11.006","0.003","14.816","0.004","90","","111.163","0.005","90","","3849.4","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","2","","","- C26 H61 Cl6 Cr2 N8 O -","- C26 H61 Cl6 Cr2 N8 O -","- C104 H244 Cl24 Cr8 N32 O4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.1095","0.0676","","","0.1451","0.1684","","","","","","1.001","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220755","18.64","0.016","5.992","0.005","18.841","0.015","90","","98.834","0.016","90","","2079","3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.6889","","","0.0389","0.037","","","0.0886","0.0907","","","","","","1.106","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220780","24.385","0.005","5.333","0.0011","19.745","0.004","90","","92.23","0.03","90","","2565.8","0.9","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","gliomasolide B","","- C24 H42 O10 -","- C24 H42 O10 -","- C96 H168 O40 -","4","1","","Zhang, Jun; Lin, Xiuping; Li, Liangchun; Zhong, Baliang; liao, xiaojian; Liu, Yonghong; xu, shihai","Gliomasolides A-E, Unusual Macrolides from a Sponge-Derived Fungus Gliomastix sp. ZSDS1-F7-2","RSC Adv.","2015","","","","","10.1039/C5RA08559D","","x-ray","1.5418","CuKα","","0.0385","0.0371","","","0.0966","0.0982","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220782","26.5127","0.0008","5.33762","0.00015","16.6627","0.0005","90","","91.282","0.003","90","","2357.43","0.12","99.9","0.5","99.9","0.5","","","","","","","","4","C 1 2 1","C 2y","5","","gliomasolide C","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C92 H148 N4 O24 -","4","1","","Zhang, Jun; Lin, Xiuping; Li, Liangchun; Zhong, Baliang; liao, xiaojian; Liu, Yonghong; xu, shihai","Gliomasolides A-E, Unusual Macrolides from a Sponge-Derived Fungus Gliomastix sp. ZSDS1-F7-2","RSC Adv.","2015","","","","","10.1039/C5RA08559D","","x-ray","1.54184","CuKα","","0.0447","0.0393","","","0.1","0.1043","","","","","","1.004","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220928","19.7623","0.0013","21.3747","0.0014","8.369","0.0005","90","","112.171","0.005","90","","3273.8","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H16 N6 O4 Zn -","- C23 H16 N6 O4 Zn -","- C92 H64 N24 O16 Zn4 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.0774","0.0549","","","0.1073","0.1176","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221009","33.698","0.007","8.9588","0.0018","10.793","0.002","90","","107.81","0.03","90","","3102.2","1.2","113","2","113","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H34.5 Cl N2 O4.75 -","- C33 H31 Cl N2 O4.75 -","- C132 H124 Cl4 N8 O19 -","4","1","","Wang, Jinhua; Zheng, Yan-Song; Xiong, Jia-Bin; Zhang, Xing; Song, Song; Zhu, Zhi-Hua","Tetraphenylethylene Imidazolium Macrocycle: Synthesis and Selective Fluorescence Turn-On Sensing of Pyrophosphate Anion","RSC Adv.","2015","","","","","10.1039/C5RA09721E","","","0.71073","MoKα","","0.0888","0.0752","","","0.2138","0.227","","","","","","1.048","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221037","9.457","","4.984","","8.346","","90","","92.07","","90","","393.121","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Ba (Mn P O4)2 (H2 O)","","- Ba H2 Mn2 O9 P2 -","- Ba Mn2 O9 P2 -","- Ba2 Mn4 O18 P4 -","2","0.5","","Escobal, J.; Mesa, J.L.; Pizarro, J.L.; Lezama, L.; Olazcuaga, R.; Rojo, T.","Hydrothermal synthesis, structural, spectroscopic and magnetic studies of a lamellar phosphate: Ba (Mn P O4)2 . (H2 O)","Journal of Materials Chemistry","1999","9","","2691","2695","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221086","6.8782","","4.0057","","9.6939","","90","","90.11","","90","","267.086","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi2 (U O5.94)","","- Bi2 O5.94 U -","- Bi2 O5.94 U -","- Bi4 O11.88 U2 -","2","0.5","","Vannier, R.N.; Thery, O.; Kinowski, C.; Huve, M.; van Tendeloo, G.; Abraham, F.; Suard, E.","Zr substituted bismuth uranate","Journal of Materials Chemistry","1999","9","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221087","6.8949","","4.0051","","9.691","","90","","90.08","","90","","267.614","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Bi2 ((U0.9 Zr0.1) O5.82)","","- Bi2 O5.82 U0.9 Zr0.1 -","- Bi2 O5.82 U0.9 Zr0.1 -","- Bi4 O11.64 U1.8 Zr0.2 -","2","0.5","","Vannier, R.N.; Huve, M.; Thery, O.; Kinowski, C.; van Tendeloo, G.; Suard, E.; Abraham, F.","Zr substituted bismuth uranate","Journal of Materials Chemistry","1999","9","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","141149","2020-10-21","18:00:00",""
"7221134","10.1322","0.0014","18.536","0.002","26.333","0.004","90","","99.012","0.002","90","","4884.6","1.1","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H63 Cd3 Cl6 N8 O4.5 -","- C36 H54 Cd3 Cl6 N8 O4.5 -","- C144 H216 Cd12 Cl24 N32 O18 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.052","0.0459","","","0.1213","0.1272","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221147","20.7929","0.0008","12.4871","0.0007","19.5025","0.0009","90","","97.329","0.004","90","","5022.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H52.5 Cu3 N4 O22.25 -","- C42 H38 Cu3 N4 O16.125 -","- C168 H152 Cu12 N16 O64.5 -","4","1","","Xu, Zhong-Xuan; Wu, Xin; Liu, Juan; Kang, Yao; Zhang, Jian","Synthesis and gas sorption properties of a homochiral metal‒organic framework with octahedral cages","CrystEngComm","2015","17","32","6107","","10.1039/C5CE01094B","","","1.54184","CuKα","","0.0668","0.0549","","","0.133","0.1418","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221216","14.4","","14.4","","10.21","","90","","90","","90","","2117.15","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Ca Ga6 Te10 -","- Ca1.00005 Ga6 Te10 -","- Ca4.0002 Ga24 Te40 -","4","1","","Klee, W.E.; Schaefer, H.","Zur Darstellung und Kristallstruktur von Ca Al6 Te10 und Ca Ga6 Te10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","657","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221811","22.744","0.003","7.5503","0.0004","16.0634","0.0018","90","","131.075","0.018","90","","2079.5","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","6-(4-Bromo-phenyl)-3-fluoro-5-nitro-2-oxo-4-phenyl-piperidine-3-carboxylic acid ethyl ester","","- C20 H18 Br F N2 O5 -","- C20 H18 Br F N2 O5 -","- C80 H72 Br4 F4 N8 O20 -","4","1","","Huang, Xin; Pham, Kenny; Zhang, Xiaofeng; Yi, Wen-bin; Hyatt, Jeremy; Tran, Anthony P.; Jasinski, Jerry P.; Zhang, Wei","Recyclable Organocatalyst-promoted One-pot Michael/aza-Henry/lactamization Reactions for Fluorinated 2-Piperidinones Bearing Four Stereogenic Centres","RSC Adv.","2015","","","","","10.1039/C5RA15306A","","x-ray","1.54184","CuKα","","0.0524","0.0511","","","0.1306","0.1329","","","","","","1.079","","","","has coordinates","153423","2020-10-21","18:00:00",""
"7221832","10.42","0.005","5.899","0.003","15.377","0.008","90","","94.096","0.007","90","","942.8","0.8","291","2","291","2","","","","","","","see text","3","C 1 2 1","C 2y","5","","(1r,2R,6S,8r,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^2,6^.0^10,14^]tetradecane","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan","The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C‒H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran","RSC Adv.","2015","5","87","70899","","10.1039/C5RA13749G","","","0.71073","MoKa","","0.0858","0.0778","","","0.1887","0.1933","","","","","","1.283","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221841","25.5744","0.0005","8.9609","0.0002","19.6079","0.0005","90","","123.59","0.001","90","","3743.2","0.15","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene triiodide THF solvate 12.I3.THF","","- C38 H34 I3 N2 O S4 -","- C38 H34 I3 N2 O S4 -","- C152 H136 I12 N8 O4 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0401","0.0359","","","0.0777","0.0806","","","","","","1.051","","","","has coordinates,has disorder","287888","2023-11-30","13:37:26",""
"7221842","26.3842","0.0014","9.0879","0.0002","19.4801","0.0009","90","","123.371","0.007","90","","3900.8","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide chlorobenzene solvate 12.I3.PhCl","","- C40 H31 Cl I3 N2 S4 -","- C40 H31 Cl I3 N2 S4 -","- C160 H124 Cl4 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0325","0.028","","","0.0662","0.0675","","","","","","1.055","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221843","25.601","0.002","8.9169","0.0005","19.5945","0.0012","90","","123.382","0.006","90","","3735.1","0.5","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide dichloromethane solvate 12.I3.DCM","","- C35 H28 Cl2 I3 N2 S4 -","- C35 H28 Cl2 I3 N2 S4 -","- C140 H112 Cl8 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0547","0.0495","","","0.1305","0.1335","","","","","","1.063","","","","has coordinates,has disorder","171014","2020-10-21","18:00:00",""
"7222343","23.738","0.002","5.1422","0.0004","12.9446","0.0011","90","","105.153","0.007","90","","1525.2","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H19 Br N O3 -","- C14 H19 Br N O3 -","- C56 H76 Br4 N4 O12 -","4","1","","Alapour, Saba; Ramjugernath, Deresh; Koorbanally, Neil","Copper-Catalysed Cross-Coupling Affected by the Smiles Rearrangement: A New Chapter on Diversifying the Synthesis of Chiral Fluorinated 1,4-Benzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA18897K","","x-ray","0.71073","MoKα","","0.0861","0.0667","","","0.1685","0.1815","","","","","","1.065","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7222674","13.9598","","10.8135","","33.781","","90","","93.763","","90","","5088.39","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","K7 (Sc (C O3)4) (C O3) (H2 O)9","","- C5 H18 K7 O24 Sc -","- C5 K7 O24 Sc -","- C40 K56 O192 Sc8 -","8","2","","Dahm, M.; Adam, A.","Untersuchungen im System (Sc Cl3)/(K2 C O3)/(H2 O): Synthese und Kristallstrukturen von K5 (Sc (C O3)4) * 5(H2 O) und K7 (Sc (C O3)4) C O3 * 9(H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1439","1445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222818","22.1075","","6.491","","5.957","","90","","100.168","","90","","841.403","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs (B6 H6 (N H2)) (H2 O)","","- B6 Cs H10 N O -","- B6 Cs N O -","- B24 Cs4 N4 O4 -","4","1","","Franken, A.; Preetz, W.","Darstellung, 11B-NMR-, und Schwingungsspektren von Aminohexahydro-closo-hexaborat(1-), (B6 H6 (N H2))- sowie Kristallstruktur von Cs (B6 H6 (N H2)) * (H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223179","13.664","0.002","7.8616","0.0013","8.2311","0.0014","90","","91.4","0.003","90","","883.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C36 H24 N12 O8 Zn2 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0406","0.039","","","0.0747","0.0755","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223370","13.604","0.002","9.974","0.002","13.84","0.003","90","","119.099","0.004","90","","1640.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H38 N2 O11 -","- C33 H38 N2 O11 -","- C66 H76 N4 O22 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0394","0.0369","","","0.0972","0.1004","","","","","","1.029","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223371","13.524","0.002","9.9285","0.0016","13.891","0.003","90","","118.817","0.0019","90","","1634.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H36 N2 O12 -","- C32 H36 N2 O12 -","- C64 H72 N4 O24 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0286","0.028","","","0.0777","0.0784","","","","","","1.049","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223372","16.286","0.007","22.708","0.009","7.95","0.003","90","","115.707","0.005","90","","2649.1","1.8","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28.5 H30 N O8.5 -","- C28.5 H25 N O8.5 -","- C114 H100 N4 O34 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0843","0.0667","","","0.1704","0.1885","","","","","","1.038","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7224266","27.62","0.06","13.15","0.03","7.699","0.015","90","","92.16","0.03","90","","2794","10","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Cu N O8 -","- C28 H26 Cu N O8 -","- C112 H104 Cu4 N4 O32 -","4","1","","Tanaka, Koichi; Muraoka, Toshihide; Otsubo, Yasuhiro; Takahashi, Hiroki; Ohnish, Atsushi","HPLC Enantioseparation on Homochiral MOF-Silica Composite as a Novel Chiral Stationary Phase","RSC Adv.","2016","","","","","10.1039/C5RA26520G","","","0.71075","MoKα","","0.1377","0.0838","","","0.2004","0.2592","","","","","","0.992","","","","has coordinates","176498","2020-10-21","18:00:00",""
"7224847","24.271","0.002","14.1584","0.0014","9.641","0.0009","90","","98.97","0.009","90","","3272.5","0.5","180.01","0.1","180.01","0.1","","","","","","","none","6","C 1 2 1","C 2y","5","CuI(ph-dppb)2","","","- C73 H58 Cl2 Cu2 I2 P4 -","- C73 H58 Cl2 Cu2 I2 P4 -","- C146 H116 Cl4 Cu4 I4 P8 -","2","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0828","0.0558","","","0.1079","0.1248","","","","","","1.034","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7225168","45.2368","0.0004","8.2403","0.0004","7.1817","0.0018","90","","95.326","0.004","90","","2665.5","0.7","119.98","0.1","120","","","","","","","","","5","C 1 2 1","C 2y","5","tetrahydrate","Sitagliptin L-tartrate tetrahydrate","","- C20 H20 F6 N5 O11.227 -","- C20 H20 F6 N5 O11.22 -","- C80 H80 F24 N20 O44.88 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.0716","0.0669","","","0.1678","0.1707","","","","2.51","2.51","2.42","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225235","18.188","0.004","22.992","0.005","14.357","0.003","90","","125.36","0.03","90","","4896","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H90 Cd3 N18 O51 Sb6 V15 -","- C18 H72 Cd3 N18 O51 Sb6 V15 -","- C36 H144 Cd6 N36 O102 Sb12 V30 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1059","0.083","","","0.2124","0.2305","","","","","","1.022","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225526","10.546","0.003","7.245","0.002","13.915","0.004","90","","95.843","0.01","90","","1057.7","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H12 Cl2 Cu0.5 N -","- C8 H12 Cl2 Cu0.5 N -","- C32 H48 Cl8 Cu2 N4 -","4","1","","Ben Salah, Assila Maatar; Sayari, Nadhem; Naïli, Houcine; Norquist, Alex","Chiral and achiral copper(II) complexes: structure, bonding and biological activities","RSC Adv.","2016","","","","","10.1039/C6RA09630A","","","0.71073","MoKα","","0.0493","0.034","","","0.0795","0.0902","","","","","","0.788","","","","has coordinates","183458","2020-10-21","18:00:00",""
"7225527","10.5419","0.0003","7.2444","0.0002","13.9027","0.0004","90","","95.916","0.002","90","","1056.09","0.05","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H12 Cl2 Cu0.5 N -","- C8 H12 Cl2 Cu0.5 N -","- C32 H48 Cl8 Cu2 N4 -","4","1","","Ben Salah, Assila Maatar; Sayari, Nadhem; Naïli, Houcine; Norquist, Alex","Chiral and achiral copper(II) complexes: structure, bonding and biological activities","RSC Adv.","2016","","","","","10.1039/C6RA09630A","","","0.71073","MoKα","","0.0554","0.0443","","","0.1148","0.1273","","","","","","0.945","","","","has coordinates","183458","2020-10-21","18:00:00",""
"7225564","34.468","0.006","5.0526","0.0007","15.304","0.002","90","","95.071","0.015","90","","2654.8","0.7","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H33 N6 O6 -","- C26 H33 N3 O6 -","- C104 H132 N12 O24 -","4","1","","HALDAR, DEBASISH; Maji, Krishnendu; Pramanik, Apurba; Paikar, Arpita","Photo-responsive modulation of hybrid peptide assembly, charge transfer complex formation and gelation","RSC Adv.","2016","","","","","10.1039/C6RA13026G","","x-ray","0.71073","MoKα","","0.1396","0.078","","","0.159","0.1915","","","","","","1.086","","","","has coordinates","183531","2020-10-21","18:00:00",""
"7225994","20.978","","6.314","","23.951","","90","","106.06","","90","","3048.62","","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C35 H47 I O3 -","- C35 H47 I O3 -","- C140 H188 I4 O12 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0667","0.0411","","","0.075","0.0846","","","","","","1.051","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7226159","32.838","0.012","5.3763","0.0019","7.913","0.003","90","","103.531","0.011","90","","1358.2","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 O14 P2 Zn5 -","- C26 H20 O14 P2 Zn5 -","- C52 H40 O28 P4 Zn10 -","2","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.051","0.0412","","","0.0819","0.0851","","","","","","1.011","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226199","32.4848","0.0012","13.6107","0.0003","24.3944","0.0007","90","","109.926","0.004","90","","10140.1","0.6","89.9","0.5","89.9","0.5","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C54 H65 Cl2 N2 O P Ru -","- C54 H65 Cl2 N2 O P Ru -","- C432 H520 Cl16 N16 O8 P8 Ru8 -","8","2","","Smoleń, Michał; Kosnik, Wioletta; Loska, Rafał; Gajda, Roman; Malinska, Maura; Wozniak, Krzysztof; Grela, Karol","Synthesis and catalytic activity of ruthenium indenylidene complexes bearing unsymmetrical NHC containing a heteroaromatic moiety","RSC Adv.","2016","","","","","10.1039/C6RA18210K","","","1.54184","CuKα","","0.0732","0.0573","","","0.1661","0.1794","","","","","","1.096","","","","has coordinates,has disorder","185706","2020-10-21","18:00:00",""
"7226568","23.6335","0.0014","4.9941","0.0002","18.5991","0.0012","90","","123.025","0.004","90","","1840.5","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cd Cl2 N6 O4 -","- C34 H30 Cd Cl2 N6 O4 -","- C68 H60 Cd2 Cl4 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0561","0.052","","","0.1504","0.1541","","","","","","1.025","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226569","23.604","0.004","4.9826","0.0008","18.294","0.003","90","","124.204","0.003","90","","1779.4","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cl2 Hg N6 O4 -","- C34 H30 Cl2 Hg N6 O4 -","- C68 H60 Cl4 Hg2 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0486","0.0443","","","0.1062","0.1086","","","","","","1.03","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226573","11.8755","0.0003","10.7481","0.0002","18.0005","0.0004","90","","104.253","0.002","90","","2226.84","0.09","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H36 O8 -","- C23 H36 O8 -","- C92 H144 O32 -","4","1","","Zhang, Peng-Wei; Tian, Hai-Yan; Nie, Qiu-Lin; Wang, Lei; Zhou, Shi-Wen; Ye, Wen-Cai; Zhang, Dong-Mei; Jiang, Ren-Wang","Structures and inhibitory activity against breast cancer cells of new bufadienolides from the eggs of toad Bufo bufo gargarizans","RSC Adv.","2016","","","","","10.1039/C6RA18676A","","","1.54178","CuKα","","0.0383","0.0376","","","0.1018","0.1029","","","","","","1.085","","","","has coordinates","186623","2020-10-21","18:00:00",""
"7226689","23.21","0.002","14.8103","0.0012","11.4882","0.0009","90","","113.779","0.002","90","","3613.8","0.5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","Complex 2","","- C68 H72 Cl4 Cu4 N4 O12 -","- C68 H72 Cl4 Cu4 N4 O12 -","- C136 H144 Cl8 Cu8 N8 O24 -","2","0.5","","Niu, Meiju; Li, Zhen; Li, Xiao; Huang, Xianqiang","Two Chiral Alkanolamine Schiff base Cu (II) Complexes as Potential Anticancer Agents: Synthesis, Structure, DNA/protein Interactions and Cytotoxic Activity","RSC Adv.","2016","","","","","10.1039/C6RA17830H","","","0.71073","MoKα","","0.1748","0.0801","","","0.1251","0.1621","","","","","","0.839","","","","has coordinates","186875","2020-10-21","18:00:00",""
"7226716","22.287","0.008","7.31","0.002","5.3371","0.0017","90","","91.683","0.012","90","","869.1","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C28 H52 N4 O16 -","4","1","","Adhikari, Soma; Kar, Tanusree; Seth, Saikat Kumar","Synthesis, crystal growth and characterization of Di-valine maleic - a new nonlinear optical material","RSC Adv.","2016","","","","","10.1039/C6RA21466E","","","0.71073","MoKα","","0.0319","0.0314","","","0.0787","0.0792","","","","","","1.068","","","","has coordinates","186975","2020-10-21","18:00:00",""
"7226735","33.2961","0.001","11.7323","0.0003","20.7114","0.0005","90","","114.114","0.001","90","","7384.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C133 H186 N8 O18 S16 -","- C133 H184 N8 O18 S16 -","- C266 H368 N16 O36 S32 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0951","0.066","","","0.1821","0.2051","","","","","","1.021","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226784","12.2643","0.0007","10.4917","0.0006","12.4618","0.0007","90","","113.61","0.002","90","","1469.28","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 Cu2 N4 O10 -","- C27 H32 Cu2 N4 O10 -","- C54 H64 Cu4 N8 O20 -","2","0.5","","Das, Debasis; Das, Sudhanshu; Adhikary, Jaydeep; Chakraborty, Prateeti; Chakraborty, Tonmoy","Macrocyclization of N, N′-propylenebis(3-formyl-5-tert butylsalicylaldimine): a ratiometric fluorescence chemodosimeter for ZnII","RSC Adv.","2016","","","","","10.1039/C6RA05478A","","","0.71073","MoKα","","0.0486","0.0396","","","0.1047","0.1102","","","","","","1.069","","","","has coordinates,has disorder","187300","2020-10-21","18:00:00",""
"7227103","21.133","0.008","7.397","0.003","15.679","0.006","90","","118.019","0.007","90","","2163.7","1.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H20 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1168","0.0906","","","0.2572","0.2743","","","","","","1.068","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227350","22.6498","0.0007","9.4681","0.0003","13.4041","0.0003","90","","92.921","0.003","90","","2870.78","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26 Ag Cl N4 O6 -","- C26 H26 Ag Cl N4 O6 -","- C104 H104 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0539","0.0522","","","0.1434","0.1468","","","","","","1.072","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227387","15.247","0.0004","5.005","0.0001","10.4052","0.0003","90","","131.936","0.001","90","","590.68","0.03","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","","0.71073","MoKα","","0.026","0.0247","","0.0678","0.0654","0.0678","","","","","","0.9705","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227388","15.075","0.003","4.9857","0.0015","10.382","0.004","90","","131.84","0.02","90","","581.3","0.4","293","","293","","","","680000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.71073","MoKα","","0.1202","0.118","","0.2333","0.223","0.2333","","","","","","0.9262","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227389","14.342","0.013","4.8946","0.0011","10.487","0.014","90","","133.01","0.03","90","","538.3","0.9","293","","293","","","","3430000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0622","0.0607","","0.168","0.1641","0.168","","","","","","0.9991","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227390","14.84","0.03","4.98","0.012","10.36","0.04","90","","131.64","0.15","90","","572","3","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","","0.71073","MoKα","","0.0712","0.0679","","0.1797","0.1683","0.1797","","","","","","1.0302","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227391","14.168","0.008","4.8351","0.0006","10.715","0.008","90","","134.825","0.018","90","","520.6","0.5","293","","293","","","","4410000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0643","0.0566","","0.179","0.1495","0.179","","","","","","1.0688","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227392","14.095","0.008","4.8107","0.0005","10.788","0.008","90","","135.458","0.018","90","","513.1","0.5","293","","293","","","","4820000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0455","0.0447","","0.1463","0.1417","0.1463","","","","","","0.9874","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227393","14.639","0.007","4.9393","0.0005","10.379","0.007","90","","132.027","0.013","90","","557.5","0.5","293","","293","","","","2290000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0476","0.0465","","0.1218","0.1203","0.1218","","","","","","1.006","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227394","15.181","0.002","4.9938","0.0002","10.405","0.002","90","","131.943","0.006","90","","586.73","0.15","293","","293","","","","137000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartraate","","- C4 H2 Li2 O6 -","- C4 H2 Li2 O6 -","- C16 H8 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.71073","MoKα","","0.057","0.056","","0.1808","0.1781","0.1808","","","","","","1.0972","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227395","14.477","0.006","4.9154","0.0005","10.425","0.007","90","","132.46","0.013","90","","547.3","0.5","293","","293","","","","2950000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0578","0.0548","","0.1501","0.1456","0.1501","","","","","","1.0222","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227396","14.024","0.008","4.789","0.0006","10.837","0.008","90","","135.927","0.019","90","","506.3","0.5","293","","293","","","","5520000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0646","0.0534","","0.1876","0.1597","0.1876","","","","","","0.9326","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227397","14.67","0.02","4.946","0.003","10.365","0.011","90","","131.97","0.05","90","","559.2","1.1","293","","293","","","","2010000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0507","0.0491","","0.1348","0.1328","0.1348","","","","","","1.0045","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227398","14.231","0.009","4.856","0.0006","10.642","0.009","90","","134.235","0.018","90","","526.9","0.6","293","","293","","","","4030000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0534","0.052","","0.1377","0.1355","0.1377","","","","","","0.9881","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227399","14.126","0.008","4.8218","0.0006","10.753","0.008","90","","135.162","0.018","90","","516.4","0.5","293","","293","","","","4660000","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate; dilithium tartrate","Lithium l-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.","Hidden negative linear compressibility in lithium l-tartrate.","Physical chemistry chemical physics : PCCP","2017","19","5","3544","3549","10.1039/c6cp08690j","","x-ray","0.4859","","","0.0463","0.0447","","0.1128","0.1104","0.1128","","","","","","0.9913","","","","has coordinates","191764","2020-10-21","18:00:00",""
"7227469","22.027","0.004","7.4504","0.0015","11.654","0.002","90","","90.19","0.03","90","","1912.5","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H14 Fe N11 O3 S0 -","- C17 H11 Fe N11 O3 -","- C68 H44 Fe4 N44 O12 -","4","1","","Han, Yi; Zheng, Hao; Li, Huijun; Wang, Hongli; Wang, Shi-Min; Geng, Yanling; Wang, Lei","Solvent-mediated preparation of a heterometallic [2 ×2] grid via a 1D metal‒organic template with extraordinary acid/base-resistance","RSC Adv.","2017","7","10","5578","","10.1039/C6RA26412C","","","0.71073","MoKα","","0.0559","0.0554","","","0.1588","0.1595","","","","","","1.052","","","","has coordinates","190648","2020-10-21","18:00:00",""
"7227616","25.8009","0.0018","8.5402","0.0006","7.8195","0.0005","90","","100.454","0.002","90","","1694.4","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H11 Cd N9 O3 -","- C12 H11 Cd N9 O3 -","- C48 H44 Cd4 N36 O12 -","4","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0231","0.022","","","0.0594","0.0604","","","","","","1.011","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227747","39.169","0.008","7.5511","0.0015","16.702","0.003","90","","95.27","0.03","90","","4919.1","1.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","2,5-Bis(17alpha-ethynyl-5delta-androst-2-en-17beta-ol)-4-nitroaniline","","- C48 H62 N2 O4 -","- C48 H62 N2 O4 -","- C192 H248 N8 O16 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.1544","0.0873","","","0.2242","0.2703","","","","","","1.012","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227851","22.089","0.013","6.142","0.004","13.906","0.009","90","","125.968","0.009","90","","1526.9","1.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Co2 N6 O11 -","- C28 H26 Co2 N6 O11 -","- C56 H52 Co4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.0715","0.0606","","","0.1639","0.1796","","","","","","1.198","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227852","22.4588","0.0011","6.1786","0.0004","14.1282","0.0007","90","","127.551","0.004","90","","1554.29","0.17","293","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Mn2 N6 O11 -","- C28 H24 Mn2 N6 O11 -","- C56 H48 Mn4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.064","0.0624","","","0.1769","0.1806","","","","","","1.093","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227853","17.3616","0.0004","22.7205","0.0008","10.3693","0.0003","90","","106.01","0.0012","90","","3931.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H36 Cu N0 O5 -","- C39 H36 Cu O5 -","- C156 H144 Cu4 O20 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1028","0.0775","","","0.2255","0.2455","","","","","","1.029","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227923","25.7697","0.0014","5.2445","0.0002","9.6681","0.0006","90","","97.215","0.005","90","","1296.29","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10.85 H22.57 N2 O4 -","- C10.845 H22.57 N2 O4 -","- C43.38 H90.28 N8 O16 -","4","1","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0439","0.0428","","","0.1171","0.1182","","","","","","1.061","","","","has coordinates","195033","2020-10-21","18:00:00",""
"7228057","30.261","0.006","9.6957","0.0019","21.35","0.004","90","","120.61","0.03","90","","5391","2","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H58 Cu2 N8 O27 P2 -","- C42 H58 Cu2 N8 O27 P2 -","- C168 H232 Cu8 N32 O108 P8 -","4","1","","Gu, Leilei; Qiu, Qi-ming; Zhou, Pei; Hao, Liang; Liu, Minghua; Li, Hui","Unusual crystal structure and chirality of uridine 5′-monophosphate coordination polymer","RSC Adv.","2017","7","34","20840","","10.1039/C7RA00851A","","","0.71073","MoKα","","0.0838","0.0732","","","0.1934","0.2043","","","","","","1.045","","","","has coordinates,has disorder","195340","2020-10-21","18:00:00",""
"7228068","18.8984","0.0018","17.7031","0.0018","14.4754","0.0014","90","","96.602","0.002","90","","4810.8","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H15 N6 O11 Zn2 -","- C26 H10 N6 O11 Zn2 -","- C104 H40 N24 O44 Zn8 -","4","1","","Dai, Yue; Zhou, Huajun; Song, Xuedan; Zhang, Jian-Jun; Hao, Ce; Di, Ling; Wang, Yu-Xian; Ni, Jun; Wang, Hui-Long","Two (5, 5)-connected isomeric frameworks as highly selective and sensitive photoluminescent probes of nitroaromatics","CrystEngComm","2017","","","","","10.1039/C7CE00236J","","","0.71073","MoKα","","0.0452","0.038","","","0.0927","0.0954","","","","","","1.003","","","","has coordinates","195399","2020-10-21","18:00:00",""
"7228320","22.736","0.001","21.619","0.002","14.974","0.001","90","","121.769","0.002","90","","6257.4","0.8","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H71 Br0.5 Na0.5 O13 P3 S -","- C63 H69 Br0.5 Na0.5 O13 P3 S -","- C252 H276 Br2 Na2 O52 P12 S4 -","4","1","","Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano","Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE00557A","","","0.7","","","0.0824","0.062","","","0.165","0.1825","","","","","","1.02","","","","has coordinates,has disorder","197009","2020-10-21","18:00:00",""
"7228369","21.7448","0.0019","5.326","0.0004","13.8216","0.0011","90","","106.577","0.002","90","","1534.2","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H28 Hg N10 O0 S2 -","- C30 H28 Hg N10 S2 -","- C60 H56 Hg2 N20 S4 -","2","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0342","0.032","","","0.0542","0.0553","","","","","","0.815","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228568","22.752","0.005","9.487","0.002","19.182","0.004","90","","94.351","0.007","90","","4128.5","1.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H26 B F24 N O -","- C40 H26 B F24 N O -","- C160 H104 B4 F96 N4 O4 -","4","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.057","0.0493","","","0.1256","0.1325","","","","","","1.041","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228690","35.252","0.002","14.8612","0.0008","35.233","0.002","90","","108.117","0.0011","90","","17543.1","1.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C89.08 H75.94 I12 N24 O5.28 Zn6 -","- C89.065 H75.922 I12 N24 O5.275 Zn6 -","- C356.26 H303.688 I48 N96 O21.1 Zn24 -","4","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.082","0.07","","","0.2199","0.2336","","","","","","1.073","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228901","23.095","0.003","9.4325","0.0009","14.3653","0.0014","90","","114.589","0.003","90","","2845.6","0.5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H34 Br N O3 -","- C31 H34 Br N O3 -","- C124 H136 Br4 N4 O12 -","4","1","","Zhang, Lili; Zhou, Xiao; Li, Pengfei; Liu, Zhantao; Liu, Yang; Sun, Yong; Li, Wenjun","Asymmetric synthesis of chromene skeletons via organocatalytic domino reactions of in situ generated ortho-quinone methide with malononitrile and β-functionalized ketone","RSC Adv.","2017","7","62","39216","","10.1039/C7RA08157J","","x-ray","0.71073","MoKα","","0.0742","0.0478","","","0.0875","0.0964","","","","","","1.057","","","","has coordinates","199717","2020-10-21","18:00:00",""
"7229107","26.39","0.004","4.7685","0.0007","9.8738","0.0014","90","","102.406","0.005","90","","1213.5","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0383","0.0321","","","0.084","0.0882","","","","","","1.039","","","","has coordinates,has disorder","200511","2020-10-21","18:00:00",""
"7229215","23.5121","0.0008","7.7408","0.0003","15.3224","0.0005","90","","118.548","0.003","90","","2449.65","0.16","156","2","156","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H50 F7 N8 O5 P Zn -","- C50 H50 F7 N8 O5 P Zn -","- C100 H100 F14 N16 O10 P2 Zn2 -","2","0.5","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54178","CuKα","","0.0291","0.029","","","0.0796","0.0797","","","","","","1.061","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229219","20.9187","0.0019","5.1257","0.0005","11.118","0.0007","90","","115.051","0.006","90","","1079.97","0.17","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Br2 Ca N6 O7 -","- C12 H24 Br2 Ca N6 O7 -","- C24 H48 Br4 Ca2 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0739","0.0499","","","0.1","0.1184","","","","","","1.028","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229222","20.6509","0.0011","5.1087","0.0003","10.788","0.0005","90","","114.287","0.004","90","","1037.4","0.1","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Ca Cl2 N6 O7 -","- C12 H24 Ca Cl2 N6 O7 -","- C24 H48 Ca2 Cl4 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0527","0.039","","","0.0986","0.1306","","","","","","0.745","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229315","18.7697","0.0004","4.8938","0.0001","22.9053","0.0005","90","","92.86","0.002","90","","2101.35","0.08","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C84 H80 N8 O32 -","4","1","","Zhu, Meilin; Yang, Zhen; Feng, Huimin; Gan, Qi; Che, Qian; Zhu, Tianjiao; Gu, Qianqun; Han, Bingnan; Li, Dehai","Trichodermamides D‒F, heterocyclic dipeptides with a highly functionalized 1,2-oxazadecaline core isolated from the endophytic fungus Penicillium janthinellum HDN13-309","RSC Adv.","2017","7","76","48019","","10.1039/C7RA10389A","","","1.54184","CuKα","","0.0475","0.0459","","","0.1267","0.1292","","","","","","1.04","","","","has coordinates,has disorder","201969","2020-10-21","18:00:00",""
"7229529","30.587","0.002","9.5507","0.0008","19.5075","0.0015","90","","113.56","0.001","90","","5223.6","0.7","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H70 N2 O9 -","- C59 H70 N2 O9 -","- C236 H280 N8 O36 -","4","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0569","0.0456","","","0.1123","0.1199","","","","","","1.049","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7230177","23.52","0.02","5.994","0.005","15.843","0.013","90","","112.574","0.017","90","","2062","3","140","2","140","2","","","","","","","Endophytic Fungus Aspergillus aculeatus","4","C 1 2 1","C 2y","5","Aculeatine A","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Wang, Hao; Eze, Peter M.; Höfert, Simon-Patrick; Janiak, Christoph; Hartmann, Rudolf; Okoye, Festus B. C.; Esimone, Charles O.; Orfali, Raha S.; Dai, Haofu; Liu, Zhen; Proksch, Peter","Substituted l-tryptophan-l-phenyllactic acid conjugates produced by an endophytic fungus Aspergillus aculeatus using an OSMAC approach","RSC Advances","2018","8","14","7863","","10.1039/C8RA00200B","","","1.54178","CuKα","","0.0408","0.025","","","0.0658","0.0667","","","","","","1.089","","","","has coordinates","206518","2020-10-21","18:00:00",""
"7230328","37.206","0.003","7.3594","0.0006","7.5694","0.0006","90","","91.589","0.002","90","","2071.8","0.3","296","2","296","2","","","","","","","photochromic","5","C 1 2 1","C 2y","5","35Br3SAP-35NO2BA","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol, 3,5-dinitrobenzoic acid","","- C19 H12 Br2 N4 O7 -","- C19 H12 Br2 N4 O7 -","- C76 H48 Br8 N16 O28 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0967","0.0473","","","0.1044","0.1427","","","","","","1.082","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230504","21.6006","0.0007","6.6844","0.0003","13.556","0.0005","90","","92.0997","0.0019","90","","1956","0.13","296.15","","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0578","0.0524","","","0.1438","0.1489","","","","","","1.045","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230968","19.0354","0.0009","9.4928","0.0004","14.2722","0.0007","90","","109.631","0.0016","90","","2429.1","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H24 N4 O5 S -","- C25 H24 N4 O5 S -","- C100 H96 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.058","0.0426","","","0.1011","0.1087","","","","","","1.022","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230975","18.926","0.003","9.4145","0.0014","15.008","0.003","90","","112.887","0.005","90","","2463.6","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H24 N4 O4 S -","- C25 H24 N4 O4 S -","- C100 H96 N16 O16 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.11","0.0535","","","0.0994","0.1158","","","","","","1.003","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7231136","30.9663","0.0009","13.3119","0.0004","7.0955","0.0003","90","","93.965","0.003","90","","2917.91","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H32 B N5 O8 -","- C32 H32 B N5 O8 -","- C128 H128 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0485","0.0425","","","0.1147","0.117","","","","","","1.043","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231137","28.62","0.0011","5.25819","0.00014","28.609","0.0009","90","","113.834","0.004","90","","3938.2","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C41 H42 B N5 O8 -","- C41 H42 B N5 O8 -","- C164 H168 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0396","0.0364","","","0.095","0.0972","","","","","","1.039","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231287","31.3723","0.0017","5.5593","0.0005","23.8849","0.0014","90","","101.048","0.006","90","","4088.5","0.5","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C43 H51 N6 O3.5 -","- C43 H51 N6 O3.5 -","- C172 H204 N24 O14 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1302","0.1033","","","0.2555","0.293","","","","","","1.007","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231390","26.685","0.005","4.809","0.001","36.125","0.007","90","","107.56","0.03","90","","4419.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H55 Cl2 N7 O16 -","- C32 H41 Cl2 N7 O16 -","- C128 H164 Cl8 N28 O64 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.8","Synchrotron","","0.2381","0.142","","","0.2954","0.3499","","","","","","1.136","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231391","28.206","0.006","4.803","0.001","35.888","0.007","90","","97.44","0.03","90","","4820.9","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 I2 N7 O20.5 -","- C32 H41 I2 N7 O20.5 -","- C128 H164 I8 N28 O82 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.7","Synchrotron","","0.096","0.0714","","","0.1751","0.1904","","","","","","1.026","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231503","23.542","0.013","10.509","0.006","10.273","0.006","90","","104.604","0.008","90","","2459","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H24 N4 Ni O9 -","- C23 H24 N4 Ni O9 -","- C92 H96 N16 Ni4 O36 -","4","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0474","0.037","","","0.0996","0.1092","","","","","","1.047","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231590","38.014","0.016","5.787","0.003","15.566","0.007","90","","93.646","0.006","90","","3417","3","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,2-Bis(4-pyridyl)ethane","","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","- C160 H160 N8 O24 -","4","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0583","0.0404","","","0.0865","0.0949","","","","","","1.017","","","","has coordinates,has disorder","228918","2020-10-21","18:00:00",""
"7231592","35.567","0.008","5.7333","0.0015","33.199","0.008","90","","91.732","0.004","90","","6767","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,3-Bis(4-pyridyl)propane","","- C41 H42 N2 O6 -","- C41 H42 N2 O6 -","- C328 H336 N16 O48 -","8","2","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.066","0.0447","","","0.0947","0.1038","","","","","","1.039","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231919","32.061","0.003","11.0501","0.0009","7.0657","0.0006","90","","93.859","0.003","90","","2497.5","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26.5 H38.5 N3 O3.75 -","- C26.5 H38.5 N3 O3.75 -","- C106 H154 N12 O15 -","4","1","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.1047","0.0619","","","0.123","0.1411","","","","","","1.016","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231973","8.8499","0.0018","12.469","0.003","6.0807","0.0012","90","","129.15","0.03","90","","520.4","0.3","153","2","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H6 N8 Na2 O7 -","- C2 H6 N8 Na2 O7 -","- C4 H12 N16 Na4 O14 -","2","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0205","0.0205","","","0.0545","0.0545","","","","","","1.067","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231980","19.4892","0.0011","16.7208","0.001","19.5898","0.0016","90","","119.827","0.001","90","","5538.2","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H58 N10 O10 Zn2 -","- C60 H58 N10 O10 Zn2 -","- C240 H232 N40 O40 Zn8 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.1191","0.0747","","","0.1531","0.1849","","","","","","1.066","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7232427","26.1681","0.0006","4.81178","0.00018","16.5261","0.0005","90","","105.807","0.003","90","","2002.2","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H35 N5 O4 -","- C14 H35 N5 O4 -","- C56 H140 N20 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1514","0.1564","","","","","","1.077","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232463","23.888","0.0006","14.0385","0.0003","9.7174","0.0003","90","","97.927","0.001","90","","3227.61","0.15","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H36 Cd N4 O12 S2 -","- C26 H36 Cd N4 O12 S2 -","- C104 H144 Cd4 N16 O48 S8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0675","0.0567","","","0.1532","0.1634","","","","","","1.069","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232496","22.3597","0.0005","5.5295","0.0002","9.5976","0.0002","90","","90.661","0.002","90","","1186.55","0.06","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H13 Br O4 -","- C12 H13 Br O4 -","- C48 H52 Br4 O16 -","4","1","","Benhamou, Laure; Foster, Robert W.; Ward, David P.; Wheelhouse, Katherine; Sloan, Lisa; Tame, Christopher J.; Bučar, Dejan-Krešimir; Lye, Gary J.; Hailes, Helen C.; Sheppard, Tom D.","Functionalised tetrahydrofuran fragments from carbohydrates or sugar beet pulp biomass","Green Chemistry","2019","21","8","2035","","10.1039/C9GC00448C","","x-ray","1.54184","CuKα","","0.0227","0.0224","","","0.0599","0.0604","","","","","","1.021","","","","has coordinates","224599","2020-10-21","18:00:00",""
"7232524","13.6221","0.0018","5.507","0.001","16.919","0.002","90","","100.303","0.011","90","","1248.7","0.3","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Br2 F4 N6 O2 Zn -","- C22 H14 Br2 F4 N6 O2 Zn -","- C44 H28 Br4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.071","0.0615","","","0.1342","0.1512","","","","","","1.01","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232525","13.349","0.005","5.3648","0.0013","17.035","0.006","90","","101.02","0.03","90","","1197.5","0.7","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Cl2 F4 N6 O2 Zn -","- C22 H14 Cl2 F4 N6 O2 Zn -","- C44 H28 Cl4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.0915","0.09","","","0.1417","0.1591","","","","","","1.012","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232647","42.319","0.003","22.6","0.0014","15.7228","0.0009","90","","93.976","0.004","90","","15001.2","1.7","100","2","100.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C163 H151 B3 N12 Ni3 O7 -","- C163 H151 B3 N12 Ni3 O7 -","- C652 H604 B12 N48 Ni12 O28 -","4","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71","MoKα","","0.0649","0.0531","","","0.1309","0.1403","","","","","","1.021","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232719","31.6601","0.0008","5.708","0.0002","15.2031","0.0004","90","","112.639","0.002","90","","2535.75","0.13","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Xia, Xuexiu; Lu, Chengrong; Zhao, Bei; Yao, Yingming","Lanthanide complexes combined with chiral salen ligands: application in the enantioselective epoxidation reaction of α,β-unsaturated ketones","RSC Advances","2019","9","24","13749","","10.1039/C9RA01529A","","","1.54178","CuKα","","0.0517","0.0483","","","0.1371","0.1418","","","","","","1.106","","","","has coordinates","214934","2020-10-21","18:00:00",""
"7232996","27.963","0.005","16.952","0.003","12.983","0.002","90","","107.713","0.005","90","","5862.6","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H47 Al N2 -","- C31 H47 Al N2 -","- C248 H376 Al8 N16 -","8","2","","Liu, Wenqing; Ding, Yi; Jin, Da; Shen, Qiumiao; Yan, Ben; Ma, Xiaoli; Yang, Zhi","Organic aluminum hydrides catalyze nitrile hydroboration","Green Chemistry","2019","21","14","3812","","10.1039/C9GC01659G","","","0.71073","MoKα","","0.0711","0.0511","","","0.123","0.1333","","","","","","1.012","","","","has coordinates","224618","2020-10-21","18:00:00",""
"7233237","15.6883","0.0018","11.7144","0.0012","17.777","0.0018","90","","109.199","0.003","90","","3085.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1708","0.1084","","","0.2562","0.317","","","","","","1.085","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233238","16.0435","0.0014","11.6969","0.0008","18.498","0.0015","90","","113.454","0.002","90","","3184.5","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd N2 O6 -","- C30 H25 Cd N2 O6 -","- C120 H100 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0561","0.0414","","","0.075","0.0789","","","","","","1.198","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233306","27.835","0.004","5.1802","0.0007","6.7211","0.0009","90","","95.439","0.003","90","","964.8","0.2","150","2","150.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H16 Cl2 N4 Zn -","- C22 H16 Cl2 N4 Zn -","- C44 H32 Cl4 N8 Zn2 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0382","0.0317","","","0.0632","0.0654","","","","","","0.96","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233336","18.5349","0.0008","8.8497","0.0003","14.3748","0.0005","90","","91.092","0.004","90","","2357.45","0.15","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0608","0.0546","","","0.1562","0.1648","","","","","","0.817","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233524","17.353","0.004","6.784","0.003","18.68","0.006","90","","105.31","0.03","90","","2121","1.3","113","2","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H26 F N3 O6 -","- C20 H23 F N3 O6 -","- C80 H92 F4 N12 O24 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.0983","0.0888","","","0.2529","0.2662","","","","","","1.049","","","","has coordinates,has disorder","223511","2020-10-21","18:00:00",""
"7233525","26.067","0.005","9.2924","0.0019","34.377","0.007","90","","94.22","0.03","90","","8304","3","128.15","","128.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 F4 N12 O16 -","- C72 H80 F4 N12 O16 -","- C288 H320 F16 N48 O64 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1454","0.1109","","","0.2776","0.3122","","","","","","1.031","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233581","26.376","0.002","16.0586","0.0013","24.243","0.002","90","","101.223","0.002","90","","10072","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C66 H44 I8 S44 -","- C66 H44 I8 S44 -","- C264 H176 I32 S176 -","4","1","","Victor Lebedev; Elena Laukhina; Evelyn Moreno-Calvo; Concepcio Rovira; Vladimir Laukhin; Ivan Ivanov; Sergei M. Dolotov; Valery F. Traven; Vladimir V. Chernyshev; Jaume Veciana","A new (TTF)11I8 organic molecular conductor: from single crystals to flexible all-organic piezoresistive films","Journal of Materials Chemistry C","2014","2","","139","146","10.1039/C3TC31513D","","","0.71073","MoKα","","0.1487","0.0406","","","0.0878","0.131","","","","","","0.918","","","","has coordinates","217869","2020-10-21","18:00:00",""
"7234036","42.9951","0.0016","9.1135","0.0003","12.2084","0.0005","90","","106.498","0.004","90","","4586.7","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H96 N2 O3 -","- C119 H96 N2 O3 -","- C238 H192 N4 O6 -","2","0.5","","Qingyun Lu; Xiaofang Li; Jun Li; Zhiyong Yang; Bingjia Xu; Zhenguo Chi; Jiarui Xu; Yi Zhang","Influence of cyano groups on the properties of piezofluorochromic aggregation-induced emission enhancement compounds derived from tetraphenylvinyl-capped ethane","Journal of Materials Chemistry C","2015","3","","1225","1234","10.1039/C4TC02165G","","","1.54178","CuKα","","0.057","0.0556","","","0.1532","0.1552","","","","","","1.054","","","","has coordinates,has disorder","218692","2020-10-21","18:00:00",""
"7235025","27.852","0.003","5.163","0.0004","20.8582","0.0018","90","","115.191","0.003","90","","2714.1","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H28 O -","- C39 H28 O -","- C156 H112 O4 -","4","1","","Xianchao Du; Fan Xu; Mao-Sen Yuan; Pengchong Xue; Lei Zhao; Dong-En Wang; Wenji Wang; Qin Tu; Shu-Wei Chen; Jinyi Wang","Reversible luminescence color switching in the crystal polymorphs of 2,7-bis(2'-methyl-[1,1'-biphenyl]-4-yl)-fluorenone by thermal and mechanical stimuli","Journal of Materials Chemistry C","2016","4","","8724","8730","10.1039/C6TC02804G","","","0.71073","MoKα","","0.1232","0.0631","","","0.1088","0.1225","","","","","","1.042","","","","has coordinates,has disorder","227668","2020-10-21","18:00:00",""
"7235123","18.3482","0.0007","11.992","0.0005","8.9002","0.0004","90","","112.527","0.002","90","","1808.9","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 N4 O4 Zr -","- C32 H64 N4 O4 Zr -","- C64 H128 N8 O8 Zr2 -","2","0.5","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","","0.71069","MoKα","","0.0342","0.0318","","","0.0631","0.0643","","","","","","1.061","","","","has coordinates,has disorder","227873","2020-10-21","18:00:00",""
"7235309","24.2349","0.0005","7.0289","0.0001","14.7664","0.0003","90","","90.826","0.001","90","","2515.12","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 N2 O10 S2 -","- C24 H26 N2 O10 S2 -","- C96 H104 N8 O40 S8 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0429","0.0374","","","0.0826","0.0887","","","","","","1.086","","","","has coordinates,has disorder","232680","2020-10-21","18:00:00",""
"7235310","24.302","0.002","7.0441","0.0006","14.8026","0.0011","90","","90.782","0.005","90","","2533.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 N2 O10 S2 -","- C24 H26 N2 O10 S2 -","- C96 H104 N8 O40 S8 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0558","0.0422","","","0.09","0.0966","","","","","","1.034","","","","has coordinates,has disorder","232680","2020-10-21","18:00:00",""
"7235477","23.818","0.008","5.5862","0.0018","15.671","0.005","90","","113.803","0.004","90","","1907.7","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H26 N O4.5 -","- C22 H26 N O4.5 -","- C88 H104 N4 O18 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0655","0.059","","","0.1577","0.1646","","","","","","1.072","","","","has coordinates","233063","2020-10-21","18:00:00",""
"7235479","29.287","0.005","7.6383","0.0012","18.538","0.004","90","","126.49","0.004","90","","3334","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H41 N O9 -","- C34 H41 N O9 -","- C136 H164 N4 O36 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0622","0.0495","","","0.1021","0.1075","","","","","","0.927","","","","has coordinates","233063","2020-10-21","18:00:00",""
"7235486","21.656","0.006","8.05","0.005","21.087","0.008","90","","117.959","0.008","90","","3247","3","293","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H38 Al N3 O7 -","- C33 H38 Al N3 O7 -","- C132 H152 Al4 N12 O28 -","4","1","","Simond, Damien; Clifford, Sarah E.; Vieira, Andreia F.; Besnard, Céline; Williams, Alan F.","An octahedral aluminium(iii) complex as a three-fold node for supramolecular heterometallic self-assemblies: solution and solid state chemistry","RSC Adv.","2014","4","32","16686","","10.1039/C4RA00575A","","","0.71073","MoKα","","0.0575","0.0469","","","0.1132","0.1214","","","","","","1.067","","","","has coordinates","233070","2020-10-21","18:00:00",""
"7235513","22.0224","0.0003","10.2959","0.0001","7.9117","0.0001","90","","98.26","0.001","90","","1775.29","0.04","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","Flickinflimbric acid","","","- C38 H58 O9 -","- C38 H58 O9 -","- C76 H116 O18 -","2","0.5","","Chen, Jin-Long; Zhao, Zhi-Min; Xue, Xue; Tang, Gui-Hua; Zhu, Long-Ping; Yang, De-Po; Jiang, Lin","Bioactive norditerpenoids from Flickingeria fimbriata","RSC Adv.","2014","4","28","14447","","10.1039/C4RA00835A","","","1.5418","CuKα","","0.0425","0.0398","","","0.1039","0.1072","","","","","","1.056","","","","has coordinates","233095","2020-10-21","18:00:00",""
"7235515","30.7135","0.0009","21.8661","0.0006","15.6061","0.0005","90","","100.943","0.003","90","","10290.2","0.5","133","2","133","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H96 Cl8 Fe2 N8 O -","- C96 H96 Cl8 Fe2 N8 O -","- C384 H384 Cl32 Fe8 N32 O4 -","4","1","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","1.5418","CuKα","","0.0604","0.0514","","","0.1357","0.1416","","","","","","1.005","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7236878","22.148","0.016","5.489","0.004","11.95","0.009","90","","122.238","0.018","90","","1228.8","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","6-phenyl-2,2'-bipyridine","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.","Green-yellow emitting hybrid light emitting electrochemical cell","Journal of Materials Chemistry C","2017","5","46","12062","","10.1039/C7TC02976D","","","0.71073","MoKα","","0.1455","0.058","","","0.0953","0.1189","","","","","","0.974","","","","has coordinates","236596","2020-10-21","18:00:00",""
"7237538","10.97","0.005","12.704","0.004","7.754","0.003","90","","101.29","0.03","90","","1059.7","0.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H12 N4 S3 -","- C24 H12 N4 S3 -","- C48 H24 N8 S6 -","2","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor‒acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","0.71069","MoKα","","0.1178","0.0431","","","0.0972","0.123","","","","","","0.975","","","","has coordinates,has disorder","237757","2020-10-21","18:00:00",""
"7238292","35.007","0.013","7.425","0.002","11.354","0.005","90","","105.52","0.03","90","","2843.6","1.9","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H22 O6 S4 -","- C32 H22 O6 S4 -","- C128 H88 O24 S16 -","4","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","x-ray","0.71073","MoKα","","0.0732","0.0594","","","0.1172","0.1237","","","","","","1.08","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238409","27.703","0.008","5.8189","0.0016","12.466","0.003","90","","103.008","0.005","90","","1958","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 Br O2 P -","- C21 H20 Br O2 P -","- C84 H80 Br4 O8 P4 -","4","1","","Luo, Xiaoyan; Zhou, Zhiqiang; Li, Xin; Liang, Xinmiao; Ye, Jinxing","Enantioselective organocatalytic phospha-Michael reaction of α,β-unsaturated aldehydes","RSC Advances","2011","1","4","698","","10.1039/c1ra00269d","","","0.71073","MoKα","","0.1013","0.0681","","","0.1598","0.1837","","","","","","0.971","","","","has coordinates","244164","2020-10-21","18:00:00",""
"7238971","14.7073","0.001","12.5151","0.001","7.3471","0.0006","90","","96.386","0.007","90","","1343.94","0.18","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Huang, Xiao-Jun; Wang, Lei; Shao, Meng; Hu, Shu-Zhi; Jiang, Ren-Wang; Yao, Xin-Sheng; Li, Yao-Lan; Yin, Zhi-Qi; Wang, Ying; Ye, Wen-Cai","Oleonin, the first secoiridoid with 1α-configuration from Ligustrum lucidum","RSC Advances","2013","3","37","16300","","10.1039/c3ra40557e","","","1.54184","CuKα","","0.0558","0.0435","","","0.1026","0.1107","","","","","","1.022","","","","has coordinates","244484","2020-10-21","18:00:00",""
"7238980","29.474","0.011","5.5845","0.0018","14.548","0.005","90","","111.92","0.04","90","","2221.5","1.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 N3 O8 -","- C20 H27 N3 O8 -","- C80 H108 N12 O32 -","4","1","","Soni, Kiran; Sah, Ajay K.","Alanyl glycoconjugate: a selective receptor for free and protein-bound tryptophan","RSC Advances","2013","3","30","12096","","10.1039/c3ra40668g","","","0.71073","MoKα","","0.1337","0.0649","","","0.1672","0.1984","","","","","","0.893","","","","has coordinates","244492","2020-10-21","18:00:00",""
"7238986","19.567","0.012","5.624","0.004","13.776","0.012","90","","125.66","0.03","90","","1231.7","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","0.5","","Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An","AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations","RSC Advances","2013","3","21","7996","","10.1039/c3ra40734a","","","0.71073","MoKα","","0.0559","0.0387","","","0.0961","0.1064","","","","","","1.052","","","","has coordinates","244495","2020-10-21","18:00:00",""
"7239108","30.174","0.01","4.6629","0.0019","32.708","0.012","90","","99.186","0.014","90","","4543","3","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H73 N6 O18.5 -","- C34 H66 N6 O18.5 -","- C136 H264 N24 O74 -","4","1","","Mathiselvam, Manoharan; Loganathan, Duraikkannu; Varghese, Babu","Synthesis and characterization of thiourea- and urea-linked glycolipids as low-molecular-weight hydrogelators","RSC Advances","2013","3","34","14528","","10.1039/c3ra42041h","","","0.71073","MoKα","","0.1059","0.0689","","","0.1749","0.2031","","","","","","1.048","","","","has coordinates,has disorder","244549","2020-10-21","18:00:00",""
"7239290","41.043","0.008","5.0993","0.001","16.334","0.003","90","","90","","90","","3418.6","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H49 N3 O10 -","- C32 H49 N3 O10 -","- C128 H196 N12 O40 -","4","1","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.0641","0.0541","","","0.1699","0.2","","","","","","1.106","","","","has coordinates","244638","2020-10-21","18:00:00",""
"7239293","21.584","0.002","16.652","0.001","18.176","0.002","90","","102.55","0.013","90","","6376.7","1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H66 Co2 N4 O27 S4 -","- C44 H28 Co2 N4 O8 S4 -","- C176 H112 Co8 N16 O32 S16 -","4","1","","Zhang, Shuang; Sun, Ning-Xi; Li, Li; Han, Zheng-Bo; Zheng, Yan-Zhen","Two porous Co(ii) bithiophenedicarboxylate metal‒organic frameworks: from a self-interpenetrating framework to a two-fold interpenetrating α-Po topological network","RSC Advances","2014","4","11","5740","","10.1039/c3ra44559c","","","0.71073","MoKα","","0.1401","0.0863","","","0.2128","0.2424","","","","","","1.024","","","","has coordinates,has disorder","244639","2020-10-21","18:00:00",""
"7239705","11.725","0.001","6.1271","0.0004","16.0527","0.0015","90","","99.628","0.009","90","","1136.99","0.16","294","0.3","294","0.3","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H18 N O4 -","- C9 H18 N O4 -","- C36 H72 N4 O16 -","4","1","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.051","0.0429","","","0.1064","0.1141","","","","","","1.088","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239706","11.5328","0.001","6.1123","0.0005","16.0138","0.0014","90","","99.78","0.009","90","","1112.44","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H36 N2 O8 -","- C18 H36 N2 O8 -","- C36 H72 N4 O16 -","2","0.5","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0427","0.0398","","","0.0997","0.1026","","","","","","1.084","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239808","30.922","0.0006","13.9294","0.0003","14.7361","0.0003","90","","107.917","0.001","90","","6039.4","0.2","170","2","169.98","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C31 H52 O7 -","- C31 H52 O7 -","- C248 H416 O56 -","8","2","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0955","0.0875","","","0.2556","0.2669","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239859","27.13","0.02","5.227","0.004","15.424","0.012","90","","105.46","0.04","90","","2108","3","293","2","293","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda","Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials","RSC Advances","2020","10","9","5220","5233","10.1039/C9RA10395C","","x-ray","0.71073","MoKα","","0.2754","0.1036","","","0.224","0.3383","","","","","","0.996","","","","has coordinates","258094","2020-10-21","18:00:00",""
"7240193","5.7544","0.0009","5.7537","0.0005","12.7881","0.0011","90","","89.93","0.03","90","","423.4","0.08","298.15","","298.15","","","","","","","","mechanochemical synthesis","5","C 1 2 1","C 2y","5","'strontium fluorine acetate","","strontium fluorine acetate","- C4 H6 F O4 Sr2 -","- C4 H6 F O4 Sr2 -","- C8 H12 F2 O8 Sr4 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1Kα2","","","","","","","","","1.656","12.562","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240195","6.0948","0.0003","6.0953","0.0003","12.937","0.0006","90","","89.996","0.003","90","","480.6","0.04","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C4 H6 Ba2 F O4 -","- C4 H6 Ba2 F O4 -","- C8 H12 Ba4 F2 O8 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0414","3.68277","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240288","16.0965","0.0011","8.7488","0.0006","13.4481","0.0009","90","","121.558","0.003","90","","1613.8","0.2","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1,4-anhydro-5-deoxy-2,3-O-isopropyliden-D-ribitol-5-yl)-pyridinium mesylate","","- C14 H22 N O6.5 S -","- C14 H22 N O6.5 S -","- C56 H88 N4 O26 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0432","0.0397","","","0.0929","0.0954","","","","","","1.052","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240289","15.5061","0.0009","6.3564","0.0004","24.1497","0.0013","90","","100.865","0.003","90","","2337.6","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","N-(Methyl-6-deoxy-2,3,4-tri-O-ethyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C19 H30 F3 N O8 S -","- C19 H30 F3 N O8 S -","- C76 H120 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0526","0.046","","","0.1067","0.1121","","","","","","1.077","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240377","44.727","0.003","17.6015","0.001","32.7474","0.0018","90","","92.424","0.002","90","","25758","3","120","2","119.95","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H114 Mo20 Na23 O210.5 P8 -","- C96 H114 Mo20 Na23 O210.5 P8 -","- C384 H456 Mo80 Na92 O842 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.053","0.0524","","","0.1406","0.1412","","","","","","1.032","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240608","77.42","0.02","7.6086","0.0018","9.924","0.003","90","","90.948","0.007","90","","5845","3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C64 H109 O8 -","- C64 H109 O8 -","- C256 H436 O32 -","4","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.158","0.0602","","","0.0934","0.1154","","","","","","0.881","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240636","39.208","0.003","4.9186","0.0003","5.1714","0.0004","90","","90.465","0.003","90","","997.26","0.12","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H28 Cl3 N3 -","- C18 H28 Cl3 N3 -","- C36 H56 Cl6 N6 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0398","0.0376","","","0.0907","0.0915","","","","","","1.093","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240774","23.791","0.002","6.7169","0.0006","17.0032","0.0016","90","","103.374","0.004","90","","2643.5","0.4","90","0.2","90","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C57 H58 Cl2 N4 O12 -","- C57 H58 Cl2 N4 O12 -","- C114 H116 Cl4 N8 O24 -","2","0.5","","George, Nathaniel; Ofori, Samuel; Parkin, Sean; Awuah, Samuel G.","Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride","RSC Advances","2020","10","40","24017","24026","10.1039/D0RA04110F","","","1.54178","CuKα","","0.0427","0.038","","","0.0975","0.1008","","","","","","1.033","","","","has coordinates,has disorder","258084","2020-10-21","18:00:00",""
"7240958","28.454","0.002","4.9978","0.0005","9.7968","0.0012","90","","90.999","0.009","90","","1393","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","trans-(μ-D-leucinato)(μ-L-leucinato)copper(ii)","","- C12 H24 Cu N2 O4 -","- C12 H24 Cu N2 O4 -","- C48 H96 Cu4 N8 O16 -","4","1","","Vušak, Darko; Pejić, Jelena; Jurković, Mia; Szalontai, Gábor; Sabolovic, Jasmina","Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformations","CrystEngComm","2020","","","","","10.1039/D0CE00585A","","","0.7","synchrotron","","0.1216","0.0723","","","0.1641","0.1934","","","","","","1.002","","","","has coordinates","254612","2020-10-21","18:00:00",""
"7240999","24.648","0.001","15.7428","0.0005","19.4112","0.0005","90","","121.721","0.002","90","","6406.9","0.4","100","0.19","100","0.19","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C69 H39 F12 I6 N3 O3 -","- C69 H39 F12 I6 N3 O3 -","- C276 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0644","0.0496","","","0.1159","0.1309","","","","","","1.05","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241092","17.196","0.0008","8.4197","0.0005","6.6408","0.0003","90","","95.281","0.004","90","","957.41","0.08","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C28 H44 Cl4 N8 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0319","0.0287","","","0.0757","0.0765","","","","","","1.018","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241203","15.917","0.003","12.1964","0.0019","12.962","0.002","90","","102.303","0.002","90","","2458.5","0.7","240","2","240","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","cyclo(Tle-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).DMF","","- C42 H66 N10 O8 S2 -","- C42 H66 N10 O8 S2 -","- C84 H132 N20 O16 S4 -","2","0.5","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.1005","0.0962","","","0.2606","0.2644","","","","","","1.153","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241503","16.748","0.007","9.455","0.004","4.562","0.002","90","","100.666","0.008","90","","709.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","work","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0615","0.049","","","0.1007","0.106","","","","","","1.021","","","","has coordinates,has disorder","261622","2021-02-04","23:02:47",""
"7241662","17.2172","0.0004","10.339","0.0003","22.6719","0.0005","90","","101.889","0.002","90","","3949.22","0.17","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C192 H208 O4 P8 -","4","1","","Ganushevich, Yulia; Zagidullin, Almaz; Kondrashova, Svetlana; Latypov, Shamil; Miluykov, Vasili; Lönnecke, Peter; Hey-Hawkins, Evamarie","Asymmetric 1,3-dipolar cycloaddition reaction of chiral 1-alkyl-1,2-diphospholes with diphenyldiazomethane","RSC Advances","2020","10","64","39060","39066","10.1039/D0RA08080B","","","0.71073","MoKα","","0.0745","0.0524","","","0.1224","0.1356","","","","","","1.006","","","","has coordinates,has disorder","259580","2020-12-06","08:36:20",""
"7242020","28.0376","0.0006","9.2287","0.0002","10.2831","0.0002","90","","108.391","0.001","90","","2524.86","0.09","299","2","299","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H38 O9 -","- C24 H38 O9 -","- C96 H152 O36 -","4","1","","Liang, Dou-Dou; Yi, Xue-Wen; Wu, Han; Li, Zheng-Hui; Wang, Guo-Kai; Cheng, Gui-Guang; Feng, Tao","Antrodillin, an immunosuppressive sesquiterpenoid from higher fungus Antrodiella albocinnamomea","RSC Advances","2021","11","2","1124","1127","10.1039/D0RA10055B","","","1.54178","CuKα","","0.0354","0.0335","","","0.0905","0.0926","","","","","","1.047","","","","has coordinates,has disorder","260561","2021-01-06","05:06:40",""
"7242181","12.3826","0.0009","11.1225","0.0007","7.7723","0.0005","90","","102.385","0.002","90","","1045.53","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H26 N10 O9 S2 -","- C8 H26 N10 O9 S2 -","- C16 H52 N20 O18 S4 -","2","0.5","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0223","0.0216","","","0.055","0.0554","","","","","","1.076","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242334","34.86","0.006","11.53","0.0019","14.156","0.003","90","","102.602","0.006","90","","5552.7","1.8","273","2","273.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H101 Al3 Mo18 N18 O107 Zn5 -","- C12 H52 Al3 Mo18 N18 O92 Zn5 -","- C24 H104 Al6 Mo36 N36 O184 Zn10 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0443","0.0369","","","0.1009","0.1055","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:51",""
"7242340","14.4368","0.0011","4.9452","0.0004","12.9747","0.001","90","","94.74","0.004","90","","923.13","0.12","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H34 O9 -","- C16 H34 O9 -","- C32 H68 O18 -","2","0.5","","Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M.","Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials","RSC Advances","2021","11","16","9410","9420","10.1039/D1RA00804H","","","0.71073","MoKα","","0.0663","0.0593","","","0.1522","0.157","","","","","","1.062","","","","has coordinates","262379","2021-03-03","06:36:48",""
"7242426","38.167","0.003","20.3517","0.0014","18.4867","0.0013","90","","99.9979","0.0005","90","","14141.7","1.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134 H198 Li5 Na O35.28 S8 -","- C124 H178 Li5 Na O32.78 S8 -","- C496 H712 Li20 Na4 O131.12 S32 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0663","0.0632","","","0.1717","0.1762","","","","","","1.054","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242580","28.9051","0.0018","3.9102","0.0002","11.6155","0.0007","90","","108.226","0.003","90","","1246.97","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.71073","MoKα","","0.0301","0.0286","","","0.0739","0.0755","","","","","","1.054","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242607","19.048","0.0011","9.6054","0.0004","17.9497","0.0009","90","","116.283","0.003","90","","2944.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0327","0.0285","","","0.0564","0.0576","","","","","","1.066","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242608","18.9531","0.0015","9.568","0.0006","17.8641","0.0013","90","","116.077","0.004","90","","2909.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0235","0.0217","","","0.0477","0.0482","","","","","","1.095","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242609","19.001","0.011","9.557","0.004","17.951","0.009","90","","116.38","0.03","90","","2920","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0751","0.0564","","","0.1025","0.1093","","","","","","1.064","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242610","19.022","0.002","9.5893","0.0008","17.9373","0.0017","90","","116.148","0.005","90","","2937.1","0.5","102","2","102","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0388","0.0338","","","0.0665","0.068","","","","","","1.086","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242611","19.095","0.0013","9.592","0.0006","17.9594","0.0012","90","","116.394","0.004","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0413","0.0382","","","0.0816","0.083","","","","","","1.114","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242612","19.0674","0.0013","9.5986","0.0006","17.9747","0.0013","90","","116.405","0.003","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0226","0.022","","","0.0508","0.051","","","","","","1.119","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242750","21.1914","0.001","24.4687","0.0011","11.0348","0.0005","90","","93.193","0.002","90","","5712.9","0.5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46 H67 Cl2 Co2 N9 O8 -","- C46 H67 Cl2 Co2 N9 O8 -","- C184 H268 Cl8 Co8 N36 O32 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","1.54178","CuKα","","0.0857","0.0617","","","0.1593","0.1755","","","","","","1.005","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7243076","13.226","0.002","10.403","0.002","7.7069","0.0015","90","","117.138","0.005","90","","943.7","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H15 N17 O2 S2 -","- C8 H15 N17 O2 S2 -","- C16 H30 N34 O4 S4 -","2","0.5","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0343","0.0311","","","0.0804","0.0822","","","","","","1.081","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243114","29.6992","0.0015","14.6641","0.0004","25.7385","0.0009","90","","108.808","0.005","90","","10610.9","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C71 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0456","0.0383","","","0.087","0.0912","","","","","","0.989","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243115","29.771","0.006","14.658","0.003","25.708","0.005","90","","108.927","0.004","90","","10612","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0574","0.0556","","","0.1535","0.1581","","","","","","1.033","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243246","24.2266","0.0008","10.0661","0.0008","13.3665","0.0008","90","","92.533","0.001","90","","3256.5","0.3","119","2","119","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","2","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.0526","0.0468","","","0.107","0.11","","","","","","1.08","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243257","9.9671","0.0003","7.2","0.0003","14.1385","0.0006","90","","92.803","0.003","90","","1013.41","0.07","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phe.H2O2.0.5H2O","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0529","0.0505","","","0.1285","0.1325","","","","","","1.096","","","","has coordinates","268648","2021-09-06","10:24:00",""
"7243422","19.945","0.01","6.698","0.004","18.303","0.01","90","","94.98","0.009","90","","2436","2","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N2 O7 -","- C23 H29 N2 O7 -","- C92 H116 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1203","0.0832","","","0.2214","0.2455","","","","","","0.945","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243423","21.387","0.01","6.419","0.003","18.467","0.008","90","","121.541","0.007","90","","2160.7","1.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H25 N2 O7 -","- C21 H25 N2 O7 -","- C84 H100 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1078","0.0728","","","0.1904","0.2199","","","","","","0.95","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243430","30.0476","0.0016","6.6972","0.0003","21.922","0.0012","90","","127.752","0.007","90","","3488","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","AS-CND","","- C38 H50 N2 O9 -","- C38 H50 N2 O9 -","- C152 H200 N8 O36 -","4","1","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","","1.54178","CuKα","","0.0791","0.0692","","","0.155","0.16","","","","","","1.077","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243451","25.85","0.005","13.375","0.003","27.037","0.005","90","","91.89","0.03","90","","9343","3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C17 H88 Ce2.5 N2.5 O91 P4 W16 -","- C14 H16 Ce2.5 N O85.5 P4 W16 -","- C56 H64 Ce10 N4 O342 P16 W64 -","4","1","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","A phosphonate–lanthanoid polyoxometalate coordination polymer: {Ce2P2W16O60L2}n zipper chains","CrystEngComm","2021","23","35","5989","5993","10.1039/D1CE00896J","","","0.71073","MoKα","","0.0708","0.0692","","","0.1891","0.1919","","","","","","1.019","","","","has coordinates,has disorder","269689","2021-10-06","14:54:23",""
"7243484","19.133","0.005","24.566","0.007","15.782","0.005","90","","108.873","0.006","90","","7019","4","100","2","100","2","","","","","","","Co-precipitation and slow evaporation","3","C 1 2 1","C 2y","5","Beta-cyclodextrin valproic acid 19.0 hydrate","'5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 2-propylpentanoic acid 19.9 hydrate'","","- C100 H210 O93 -","- C84 H130 O89.184 -","- C168 H260 O178.368 -","2","0.5","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.132","0.0997","","","0.2742","0.3047","","","","","","1.12","","","","has coordinates","269670","2021-10-06","14:48:45",""
"7243579","25.2663","0.0009","6.3994","0.0002","22.1324","0.0008","90","","120.785","0.001","90","","3074.33","0.19","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","1.34139","GaKα","","0.0396","0.0394","","","0.1137","0.114","","","","","","1.066","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243580","25.321","0.006","6.4135","0.0015","22.097","0.005","90","","121.404","0.003","90","","3062.8","1.2","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.25 N O7.12 S2 -","- C31 H37.25 N O7.125 S2 -","- C124 H149 N4 O28.5 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.0948","0.0525","","","0.1119","0.1288","","","","","","0.991","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243581","25.208","0.002","6.3747","0.0006","21.98","0.002","90","","121.001","0.001","90","","3027.5","0.5","393","1","393","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37 N O7 S2 -","- C31 H37 N O7 S2 -","- C124 H148 N4 O28 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1712","0.0716","","","0.199","0.2627","","","","","","0.934","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243582","25.2658","0.0018","6.3976","0.0005","22.0858","0.0016","90","","121.138","0.001","90","","3055.6","0.4","353","1","353","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.5 N O7.25 S2 -","- C31 H37.5 N O7.25 S2 -","- C124 H150 N4 O29 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1013","0.0858","","","0.2633","0.2855","","","","","","1.058","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243613","11.1446","0.0013","6.5924","0.0009","29.135","0.004","90","","93.968","0.01","90","","2135.4","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 F8 N5 O3 -","- C19 H17 F8 N5 O3 -","- C76 H68 F32 N20 O12 -","4","1","","Ning, Yongquan; Wang, Hongwei; Sivaguru, Paramasivam; Li, Shuang; Zanoni, Giuseppe; Nolan, Steven P.; Bi, Xihe","Defluorinative [4 + 1] annulation of perfluoroalkyl N-mesylhydrazones with primary amines provides 5-fluoroalkyl 1,2,3-triazoles","Green Chemistry","2021","23","20","7976","7981","10.1039/D1GC02749B","","x-ray","0.71073","MoKα","","0.097","0.0646","","","0.1551","0.1818","","","","","","1.015","","","","has coordinates","270460","2021-11-06","20:13:57",""
"7243702","28.4494","0.0004","11.2159","0.0002","20.254","0.0003","90","","103.136","0.001","90","","6293.65","0.17","103","","103","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H32 O4 Te -","- C40 H32 O4 Te -","- C320 H256 O32 Te8 -","8","2","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0341","0.0264","","","0.0538","0.056","","","","","","1.029","","","","has coordinates","269815","2021-10-07","01:34:35",""
"7243935","29.078","0.004","8.723","0.0012","12.0174","0.0016","90","","93.915","0.006","90","","3041.1","0.7","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.42 H25.64 F2 N5.21 O4 S2 -","- C29.424 H25.636 F2 N5.212 O4 S2 -","- C117.696 H102.544 F8 N20.848 O16 S8 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0745","0.0623","","","0.1397","0.1454","","","","","","1.05","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243995","19.7947","0.0004","9.4219","0.0002","3.5826","0.0001","90","0.0016","98.7506","0.0016","90","0.0017","660.39","0.03","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","0.5","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0562","0.0539","","","0.0732","0.0734","","","","4.4","4.4","4.14","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7244678","20.3983","0.0008","8.668","0.0003","14.0946","0.0006","90","","125.998","0.002","90","","2016.2","0.15","301","2","301","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Yuan, Zhenbo; Lu, Liushen; Liu, Meiling; Liu, Xuanzhong; Liu, Changmei; Yin, Dejing; Zhang, Yan; Rao, Yijian","Natural product cercosporin as a bioinspired photocatalyst for the synthesis of peptides containing kynurenine via an energy transfer mechanism","Green Chemistry","2022","24","8","3277","3283","10.1039/D2GC00116K","","","1.54178","CuKα","","0.062","0.0596","","","0.1787","0.1829","","","","","","1.179","","","","has coordinates","274986","2022-05-05","20:37:02",""
"7244752","23.861","0.0008","6.1612","0.0002","10.0136","0.0003","90","","95.846","0.002","90","","1464.47","0.08","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H44 O6 -","- C32 H44 O6 -","- C64 H88 O12 -","2","0.5","","Freese, Thomas; Fridrich, Bálint; Crespi, Stefano; Lubbe, Anouk S.; Barta, Katalin; Feringa, Ben L.","A molecular motor from lignocellulose","Green Chemistry","2022","24","9","3689","3696","10.1039/D2GC00291D","","","1.54178","CuKα","","0.0386","0.0353","","","0.0823","0.0842","","","","","","1.16","","","","has coordinates","275787","2022-06-06","01:48:05",""
"7245213","24.5506","0.0014","14.4941","0.0004","24.966","0.0013","90","","125.773","0.008","90","","7207.8","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C86 H63 Cl3 N6 O10 -","- C86 H63 Cl3 N6 O10 -","- C344 H252 Cl12 N24 O40 -","4","1","","Zhong, Jialing; Pan, Rihuang; Lin, Xufeng","Enantioselective synthesis of α-tetrasubstituted (3-indolizinyl) (diaryl)methanamines via chiral phosphoric acid catalysis","RSC Advances","2022","12","32","20499","20506","10.1039/D2RA03750E","","","0.71073","MoKα","","0.0951","0.0516","","","0.1104","0.1289","","","","","","1.008","","","","has coordinates","276887","2022-07-23","03:13:48",""
"7245441","38.961","0.008","21.921","0.004","23.987","0.005","90","","116.69","0.03","90","","18304","8","243","2","243","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C216 H168 Cu3 F18 N24 O36 Si3 -","- C216 H168 Cu3 F18 N24 O36 Si3 -","- C432 H336 Cu6 F36 N48 O72 Si6 -","2","0.5","","Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.","Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel","RSC Advances","2022","12","39","25118","25122","10.1039/D2RA04270C","","","0.76","synchrotron","","0.1158","0.0412","","","0.0905","0.11","","","","","","0.786","","","","has coordinates,has disorder","277645","2022-09-06","01:19:15",""
"7245801","24.516","0.0011","13.4214","0.0006","17.9973","0.0006","90","","109.287","0.001","90","","5589.5","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H98 Co3 N6 O17.5 -","- C36 H98 Co3 N6 O17.5 -","- C144 H392 Co12 N24 O70 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0845","0.054","","","0.1307","0.1515","","","","","","1.03","","","","has coordinates,has disorder","279226","2022-11-11","02:22:09",""
"7245977","30.1649","0.0013","7.7132","0.0003","10.9391","0.0004","90","","95.377","0.001","90","","2533.98","0.17","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46 H50 Cl2 N6 O17 S2 -","- C46 H50 Cl2 N6 O17 S2 -","- C92 H100 Cl4 N12 O34 S4 -","2","0.5","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0523","0.0472","","","0.1124","0.1164","","","","","","1.091","","","","has coordinates","279758","2022-12-07","02:26:10",""
"7246053","19.733","0.002","11.4151","0.001","45.913","0.004","90","","90.061","0.005","90","","10342.1","1.7","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H36 Co2 N4 O9.33 S -","- C30 H36 Co2 N4 O9.3333 S -","- C360 H432 Co24 N48 O112 S12 -","12","3","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0551","0.0418","","","0.1075","0.1152","","","","","","1.093","","","","has coordinates","281444","2023-03-04","18:17:39",""
"7246134","29.7748","0.0002","20.1297","0.0001","20.6698","0.0001","90","","108.433","0.001","90","","11753","0.13","100","0.9","100","0.9","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 La N4 O8 -","- C57 H54 F17 La N4 O8 -","- C456 H432 F136 La8 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0281","0.0277","","","0.0707","0.0709","","","","","","1.025","","","","has coordinates,has disorder","280341","2023-01-14","01:45:27",""
"7246135","29.75","0.0006","20.1395","0.0005","20.6309","0.0004","90","","108.312","0.002","90","","11735","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 La N4 O8 -","- C57 H54 F17 La N4 O8 -","- C456 H432 F136 La8 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0679","0.058","","","0.1506","0.1588","","","","","","1.071","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246136","29.487","0.0004","20.0974","0.0003","20.6981","0.0003","90","","108.271","0.001","90","","11647.5","0.3","100","1","100","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 N4 O8 Sm -","- C57 H54 F17 N4 O8 Sm -","- C456 H432 F136 N32 O64 Sm8 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0601","0.0514","","","0.1376","0.1441","","","","","","1.083","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246137","29.4616","0.0002","20.0633","0.0001","20.6966","0.0001","90","","108.251","0.001","90","","11618.3","0.13","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 Eu F17 N4 O8 -","- C57 H54 Eu F17 N4 O8 -","- C456 H432 Eu8 F136 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0453","0.0429","","","0.1135","0.1153","","","","","","1.054","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246189","18.269","0.006","12.967","0.004","11.641","0.004","90","","123.754","0.004","90","","2292.8","1.3","240","2","240","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","cyclo(Val-Oxz-D-Val-Thz-Phg-Oxz-D-Val-Thz).dimethylacetamide","","- C42 H56 N9 O7 S2 -","- C42 H56 N9 O7 S2 -","- C84 H112 N18 O14 S4 -","2","0.5","","Asano, Akiko; Minoura, Katsuhiko; Yamada, Takeshi; Doi, Mitsunobu","Experimental evidence for CH⋯π interaction-mediated stabilization of the square form in phenylglycine-incorporated ascidiacyclamide","RSC Advances","2023","13","4","2458","2466","10.1039/D2RA07063D","","","0.71073","MoKα","","0.1249","0.1071","","","0.2655","0.278","","","","","","1.141","","","","has coordinates,has disorder","280486","2023-01-21","02:06:35",""
"7246213","58.307","0.0016","6.7934","0.0001","9.0204","0.0002","90","","92.252","0.002","90","","3570.25","0.14","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C136 H144 N16 O56 -","8","2","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.1089","0.0981","","","0.2909","0.3087","","","","","","1.26","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246218","12.058","0.0004","5.40629","0.00017","8.5026","0.0003","90","","98.163","0.002","90","","548.66","0.03","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Cu5 S7 Sn2 -","- Cu5 S7 Sn2 -","- Cu10 S14 Sn4 -","2","0.5","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Boullay, P.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Prestipino, C.; Menut, D.; Candolfi, C.; Malaman, B.; Juraszek, J.; Guilmeau, E.","'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram'","Journal of Materials Chemistry A","2021","9","17","10812","10826","10.1039/d1ta01615f","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","3.3425","","","","","","","","has coordinates","280693","2023-01-31","09:09:31",""
"7246240","17.628","0.002","5.4719","0.0007","21.601","0.003","90","","96.194","0.002","90","","2071.4","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H23 Cl2 N O6 -","- C21 H23 Cl2 N O6 -","- C84 H92 Cl8 N4 O24 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","0.71073","MoKα","","0.0449","0.0407","","","0.0885","0.0912","","","","","","1.068","","","","has coordinates,has disorder","282327","2023-04-04","10:13:22",""
"7246381","17.3665","0.0008","11.9235","0.0006","14.1752","0.0007","90","","109.802","0.002","90","","2761.7","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/o-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0368","0.0326","","","0.0861","0.0891","","","","","","1.019","","","","has coordinates,has disorder","282337","2023-04-04","10:16:53",""
"7246382","17.3219","0.0009","12.0646","0.0006","14.1378","0.0007","90","","110.136","0.002","90","","2774","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/m-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0418","0.0349","","","0.0886","0.0931","","","","","","1.03","","","","has coordinates,has disorder","282337","2023-04-04","10:17:02",""
"7246383","17.3436","0.0012","12.0126","0.0008","14.0767","0.001","90","","110.152","0.003","90","","2753.2","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/p-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0393","0.0333","","","0.0838","0.0874","","","","","","1.034","","","","has coordinates,has disorder","282337","2023-04-04","10:17:06",""
"7246574","28.207","0.001","6.1502","0.0002","22.3583","0.0007","90","","117.563","0.002","90","","3438.5","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H40 N6 O9 -","- C30 H38 N6 O9 -","- C120 H152 N24 O36 -","4","1","","Shang, Jia-Huan; Qiao, Yi-Jun; Zhu, Hong-Tao; Wang, Dong; Yang, Chong-Ren; Zhang, Ying-Jun","Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation","RSC Advances","2023","13","16","11037","11043","10.1039/D3RA00720K","","","1.54178","CuKα","","0.0435","0.0381","","","0.1152","0.1223","","","","","","0.918","","","","has coordinates","282495","2023-04-07","01:28:00",""
"7246980","31.544","0.006","9.474","0.002","15.431","0.003","90","","92.44","0.03","90","","4607.3","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H51 F3 N7 O16.25 -","- C36 H42 F3 N7 O16.5 -","- C144 H168 F12 N28 O66 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.7","Synchrotron","","0.2494","0.133","","","0.2853","0.3484","","","","","","1.072","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7247116","27.4286","0.0008","17.9342","0.0002","15.0384","0.0004","90","","133.511","0.005","90","","5365","0.5","223","0.1","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H78 Cl6 Fe4 N O60 -","- C74 H78 Cl6 Fe4 N O60 -","- C148 H156 Cl12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0633","0.0597","","","0.1604","0.1643","","","","","","1.084","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247117","27.2657","0.0008","17.98779","0.00019","15.0294","0.0004","90","","133.512","0.005","90","","5345.8","0.5","223.15","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C74H76Cl4Fe4NO60","","- C74 H80 Cl4 Fe4 N O60 -","- C74 H80 Cl4 Fe4 N O60 -","- C148 H160 Cl8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","","1.54184","CuKα","","0.0539","0.0531","","","0.1383","0.1392","","","","","","1.026","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247118","27.2902","0.0013","17.9198","0.0003","15.0346","0.0007","90","","133.441","0.009","90","","5338.5","0.9","223","0.1","223","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","[NH4<C72H72O60Fe4](CH2Br2)2","","- C74 H80 Br4 Fe4 N O60 -","- C74 H80 Br4 Fe4 N O60 -","- C148 H160 Br8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","0.71073","MoKα","","0.0745","0.0709","","","0.2038","0.2077","","","","","","1.061","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247119","27.5848","0.0004","17.97775","0.0001","15.1052","0.0002","90","","133.527","0.003","90","","5431.2","0.3","223","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C72H72O60Fe4(CHBr3)2","","- C74 H78 Br6 Fe4 N O60 -","- C74 H78 Br6 Fe4 N O60 -","- C148 H156 Br12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0724","0.0708","","","0.1925","0.1947","","","","","","1.021","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247177","17.0535","0.0006","10.0663","0.0004","6.9926","0.0002","90","","91.543","0.003","90","","1199.95","0.07","296.89","0.15","296.89","0.15","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H28 Co Li N8 O14 -","- C14 H26 Co Li N8 O14 -","- C28 H52 Co2 Li2 N16 O28 -","2","0.5","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1025","0.0967","","","0.274","0.2827","","","","","","1.09","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247480","44.243","0.001","19.9018","0.0006","17.7791","0.0006","90","","110.985","0.002","90","","14616.5","0.8","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32.05 H47.58 N5 O8.68 Si -","- C32.0517 H47.577 N5 O8.67675 Si -","- C512.828 H761.232 N80 O138.828 Si16 -","16","4","","Liu, Mengjia; He, Ying; Wojtas, Lukasz; Shi, Xiaodong","Design and synthesis of covalently tethered “isoG-star” as a recyclable host for selective cesium separation","Green Chemistry","2023","25","21","8494","8499","10.1039/D3GC02932H","","x-ray","1.54178","CuKα","","0.0799","0.0569","","","0.1498","0.1661","","","","","","1.05","","","","has coordinates,has disorder","287359","2023-11-06","07:44:56",""
"7247786","17.093","0.012","10.057","0.01","6.991","0.004","90","","113.89","0.03","90","","1098.8","1.5","298","","298","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H6 Br F3 N O -","- C10 H6 Br F3 N O -","- C40 H24 Br4 F12 N4 O4 -","4","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","","0.71073","MoKα","","0.0497","0.0421","","","0.107","0.1132","","","","","","0.986","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247938","24.5506","0.0014","14.4941","0.0004","24.966","0.0013","90","","125.773","0.008","90","","7207.8","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C86 H63 Cl3 N6 O10 -","- C86 H63 Cl3 N6 O10 -","- C344 H252 Cl12 N24 O40 -","4","1","","Zhong, Jialing; Pan, Rihuang; Lin, Xufeng","Enantioselective synthesis of α-tetrasubstituted (1-indolizinyl) (diaryl)-methanamines via chiral phosphoric acid catalysis","RSC Advances","2024","14","2","1106","1113","10.1039/D3RA07636A","","","0.71073","MoKα","","0.0951","0.0516","","","0.1104","0.1289","","","","","","1.008","","","","has coordinates","288627","2024-01-03","02:35:34",""
"7248031","23.088","0.006","11.877","0.003","15.998","0.007","90","","131.526","0.006","90","","3284.3","1.9","290","","290","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H54 N27 O12 -","- C52 H50 N27 O12 -","- C104 H100 N54 O24 -","2","0.5","","Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin","Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles","RSC Advances","2024","14","4","2652","2658","10.1039/D3RA07810H","","","0.71073","MoKα","","0.1868","0.1215","","","0.3162","0.3638","","","","","","1.222","","","","has coordinates","289115","2024-01-17","02:32:46",""
"7248063","19.2611","0.0014","7.1873","0.0007","25.1626","0.0019","90","","94.187","0.008","90","","3474.1","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41 H36 Br4 -","- C41 H36 Br4 -","- C164 H144 Br16 -","4","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.066","0.0493","","","0.101","0.1064","","","","","","1.056","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248145","27.417","0.002","13.0209","0.0012","27.138","0.002","90","","104.446","0.003","90","","9381.8","1.3","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H27 Co N12 O15 Tb -","- C38 H27 Co N12 O15 Tb -","- C304 H216 Co8 N96 O120 Tb8 -","8","2","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1071","0.0836","","","0.196","0.2126","","","","","","1.179","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248265","33.21","0.05","10.16","0.013","16.17","0.02","90","","112.22","0.03","90","","5051","12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H68 N8 O8 -","- C46 H68 N8 O8 -","- C184 H272 N32 O32 -","4","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2183","0.1038","","","0.2341","0.3234","","","","","","0.926","","","","has coordinates","290049","2024-03-04","03:30:22",""
"7248295","21.402","0.0014","12.5878","0.0008","18.9598","0.0013","90","","123.154","0.003","90","","4276.3","0.5","101","2","101","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H21 Cl N4 O Ru S -","- C22 H21 Cl N4 O Ru S -","- C176 H168 Cl8 N32 O8 Ru8 S8 -","8","2","","Tsaulwayo, Nokwanda; Omondi, Reinner O.; Vijayan, Paranthaman; Sibuyi, Nicole R. S.; Meyer, Miché D.; Meyer, Mervin; Ojwach, Stephen O.","Heterocyclic (pyrazine)carboxamide Ru(ii) complexes: structural, experimental and theoretical studies of interactions with biomolecules and cytotoxicity","RSC Advances","2024","14","12","8322","8330","10.1039/D4RA00525B","","","0.71073","MoKα","","0.05","0.0476","","","0.1248","0.1265","","","","","","1.069","","","","has coordinates","290440","2024-03-12","02:20:46",""
"7248306","19.7972","0.0005","5.6454","0.0002","19.9238","0.0005","90","","116.7","0.001","90","","1989.31","0.1","100","1","100","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","2","","Dupont, Jennifer; Hartwig, Beppo; Le Barbu-Debus, Katia; Lepere, Valeria; Guillot, Regis; Suhm, Martin A.; Zehnacker, Anne","Homochiral <i>vs.</i> heterochiral preference in chiral self-recognition of cyclic diols.","Physical chemistry chemical physics : PCCP","2024","26","14","10610","10621","10.1039/d4cp00351a","","x-ray","1.54178","CuKα","","0.0307","0.0278","","","0.0656","0.0669","","","","","","1.04","","","","has coordinates","291065","2024-04-05","00:17:06",""
"7248533","13.421","0.005","6.843","0.003","14.762","0.004","90","","101.98","0.012","90","","1326.2","0.8","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H32 N2 O6 -","- C31 H32 N2 O6 -","- C62 H64 N4 O12 -","2","0.5","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1214","0.0719","","","0.1621","0.1985","","","","","","1.063","","","","has coordinates,has disorder","291353","2024-04-25","22:29:49",""
"7700096","16.2589","0.0009","15.4723","0.0004","10.7082","0.0004","90","","114.916","0.005","90","","2443.1","0.2","295","2","295","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H69 Cl Co2 Mo7 N12 O34 -","- C12 H69 Cl Co2 Mo7 N12 O34 -","- C24 H138 Cl2 Co4 Mo14 N24 O68 -","2","0.5","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.71073","MoKα","","0.015","0.0146","","","0.0353","0.0353","","","","","","1.065","","","","has coordinates","223871","2020-10-21","18:00:00",""
"7700844","21.669","0.004","10.733","0.002","17.663","0.004","90","","99.85","0.03","90","","4047.4","1.5","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C95 H80 Cl4 Fe4 Hg2 P4 Pd2 -","- C95 H80 Cl4 Fe4 Hg2 P4 Pd2 -","- C190 H160 Cl8 Fe8 Hg4 P8 Pd4 -","2","0.5","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bannenberg, Thomas; Tamm, Matthias; Jäkle, Frieder","Diferrocenylmercury diphosphine diastereomers with unique geometries: trans-chelation at Pd(ii) with short Hg(ii)Pd(ii) contacts.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13430","13439","10.1039/c9dt02728a","","","1.54178","CuKα","","0.0315","0.0282","","","0.0446","0.0458","","","","","","0.928","","","","has coordinates","224503","2020-10-21","18:00:00",""
"7701254","14.2997","0.0004","9.4881","0.0003","9.3862","0.0003","90","","109.712","0.001","90","","1198.86","0.06","268","2","268.01","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H9 Cu3 F12 N5 O7 -","- C15 H9 Cu3 F12 N5 O7 -","- C30 H18 Cu6 F24 N10 O14 -","2","0.5","","Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D.","CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15236","15246","10.1039/c9dt02133g","","","0.71073","MoKα","","0.0542","0.05","","","0.1104","0.1114","","","","","","1.147","","","","has coordinates,has disorder","224246","2020-10-21","18:00:00",""
"7701514","12.548","0.003","20.583","0.006","12.063","0.003","90","","114.276","0.01","90","","2840.1","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H68 N4 Ni4 O12 -","- C48 H68 N4 Ni4 O12 -","- C96 H136 N8 Ni8 O24 -","2","0.5","","Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert","{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10427","10434","10.1039/c9dt01026b","","","0.71073","MoKα","","0.0532","0.0495","","","0.1148","0.1183","","","","","","1.087","","","","has coordinates","223293","2020-10-21","18:00:00",""
"7701662","14.113","0.003","10.978","0.002","11.644","0.002","90","","112.55","0.006","90","","1666.1","0.6","90","","90","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H50 N4 O6 P2 Ti -","- C28 H50 N4 O6 P2 Ti -","- C56 H100 N8 O12 P4 Ti2 -","2","0.5","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.0815","0.0757","","","0.1576","0.1608","","","","","","0.998","","","","has coordinates,has disorder","223329","2020-10-21","18:00:00",""
"7702564","25.7491","0.0008","7.9562","0.0003","19.5543","0.0006","90","","125.809","0.0016","90","","3248.7","0.2","203","","203","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H54 I3 Nb O2 -","- C72 H54 I3 Nb O2 -","- C144 H108 I6 Nb2 O4 -","2","0.5","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.051","","","","0.139","","","","","","1.092","","","","has coordinates","243909","2020-10-21","18:00:00",""
"7704133","10.4124","0.0015","6.6986","0.001","6.2156","0.001","90","","126.129","0.004","90","","350.16","0.09","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Al Cs H8 O6 -","- Al Cs O6 -","- Al2 Cs2 O12 -","2","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0274","0.0274","","","0.0786","0.0786","","","","","","1.207","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704150","21.6357","0.001","9.0441","0.0004","17.7227","0.0008","90","","126.292","0.001","90","","2795.2","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H42 F N7 O5 -","- C26 H42 F N7 O5 -","- C104 H168 F4 N28 O20 -","4","1","","Kozsup, Máté; Keogan, Donal M.; Fitzgerald-Hughes, Deirdre; Enyedy, Éva A; Twamley, Brendan; Buglyó, Péter; Griffith, Darren M.","Synthesis and characterisation of Co(iii) complexes of N-formyl hydroxylamines and antibacterial activity of a Co(iii) peptide deformylase inhibitor complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6980","6988","10.1039/d0dt01123a","","x-ray","0.71073","MoKα","","0.0432","0.037","","","0.088","0.0926","","","","","","1.047","","","","has coordinates,has disorder","252834","2020-10-21","18:00:00",""
"7704565","13.976","0.003","10.721","0.002","10.339","0.002","90","","118.05","0.03","90","","1367.2","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0426","0.0403","","","0.098","0.0991","","","","","","1.018","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704567","14.1169","0.0005","10.7071","0.0004","10.3296","0.0004","90","","117.78","0.001","90","","1381.38","0.09","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Br4 Cu N2 O2 -","- C30 H24 Br4 Cu N2 O2 -","- C60 H48 Br8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.029","0.0237","","","0.0473","0.0491","","","","","","1.041","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704569","14.04","0.003","10.708","0.002","10.439","0.002","90","","117.772","0.003","90","","1388.6","0.5","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C60 H48 Br4 Cl4 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0207","0.0193","","","0.0474","0.0483","","","","","","1.057","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704570","14.5549","0.0003","11.1475","0.0003","10.6074","0.0003","90","","118.18","0.001","90","","1517.06","0.07","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cu I4 N2 O2 -","- C30 H24 Cu I4 N2 O2 -","- C60 H48 Cu2 I8 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0506","0.0452","","","0.1132","0.1179","","","","","","1.054","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704572","14.5586","0.0003","11.1467","0.0002","10.6165","0.0002","90","","118.209","0.001","90","","1518.23","0.05","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cu I4 N2 O2 -","- C30 H24 Cu I4 N2 O2 -","- C60 H48 Cu2 I8 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0418","0.0329","","","0.0801","0.0844","","","","","","1.063","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704834","25.895","0.002","26.301","0.002","12.2932","0.0011","90","","91.478","0.004","90","","8369.7","1.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C68 H69 Cd4 N8 O24 -","- C68 H69 Cd4 N8 O24 -","- C272 H276 Cd16 N32 O96 -","4","1","","Liu, Meiying; Liang, Jingjing; Xu, Xuebin; Liu, Zhiliang","An unusual high-frequency ferroelectric obtained via the post-synthetic modification of a metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10895","10900","10.1039/d0dt02066d","","","0.71073","MoKα","","0.0578","0.0563","","","0.1536","0.1552","","","","","","1.051","","","","has coordinates","256101","2020-10-21","18:00:00",""
"7705128","34.2864","0.0003","32.1058","0.0003","31.5037","0.0002","90","","95.165","0.001","90","","34538.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C235 H200 Li18 N24 O55 -","- C235 H200 Li18 N24 O55 -","- C940 H800 Li72 N96 O220 -","4","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.1524","0.1443","","","0.4014","0.4366","","","","","","1.122","","","","has coordinates,has disorder","256110","2020-10-21","18:00:00",""
"7705260","31.541","0.002","9.6191","0.0008","14.6584","0.001","90","","95.861","0.002","90","","4424.1","0.6","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H32 Mn N8 -","- C44 H32 Mn N8 -","- C176 H128 Mn4 N32 -","4","1","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","0.71073","MoKα","","0.1672","0.0793","","","0.1559","0.1896","","","","","","0.965","","","","has coordinates","257543","2020-10-21","18:00:00",""
"7705823","15.573","0.006","10.617","0.004","31.122","0.013","90","","98.741","0.005","90","","5086","3","93","","93","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H29 Cl Cu Fe N3 -","- C25 H29 Cl Cu Fe N3 -","- C200 H232 Cl8 Cu8 Fe8 N24 -","8","2","","Haraguchi, Ryosuke; Yamazaki, Tatsuro; Torita, Koki; Ito, Tatsuki; Fukuzawa, Shin-Ichi","Planar-chiral ferrocene-based triazolylidene copper complexes: synthesis, characterization, and catalysis in asymmetric borylation of α,β-unsaturated ester.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17578","17583","10.1039/d0dt03213a","","","0.71075","MoKα","","0.0845","0.0571","","","0.0894","0.1018","","","","","","1","","","","has coordinates","260764","2021-01-07","06:23:34",""
"7705963","22.3546","0.0018","4.9468","0.0004","7.1164","0.0006","90","","100.9","0.002","90","","772.76","0.11","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Cl3 N4 O4 Pd -","- C8 H24 Cl3 N4 O4 Pd -","- C16 H48 Cl6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Wakizaka, Masanori; Yoshida, Takefumi; Iguchi, Hiroaki; Takaishi, Shinya; Afrin, Unjila; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","An unusual Pd(III) oxidation state in the Pd-Cl chain complex with high thermal stability and electrical conductivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1614","1619","10.1039/d0dt03848b","","","0.71073","MoKα","","0.0389","0.0333","","","0.0558","0.0576","","","","","","1.017","","","","has coordinates","262629","2021-03-05","02:00:31",""
"7705964","22.478","0.002","4.9692","0.0005","7.1793","0.0007","90","","101.158","0.002","90","","786.75","0.13","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Cl3 N4 O4 Pd -","- C8 H24 Cl3 N4 O4 Pd -","- C16 H48 Cl6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Wakizaka, Masanori; Yoshida, Takefumi; Iguchi, Hiroaki; Takaishi, Shinya; Afrin, Unjila; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","An unusual Pd(III) oxidation state in the Pd-Cl chain complex with high thermal stability and electrical conductivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1614","1619","10.1039/d0dt03848b","","","0.71073","MoKα","","0.039","0.0338","","","0.0587","0.0607","","","","","","1.018","","","","has coordinates","262629","2021-03-05","02:00:32",""
"7706247","21.3977","0.0011","8.8037","0.0003","16.4131","0.0009","90","","129.973","0.009","90","","2369.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H30 N10 O2 -","- C20 H30 N10 O2 -","- C80 H120 N40 O8 -","4","1","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0744","0.0601","","","0.187","0.1979","","","","","","1.239","","","","has coordinates,has disorder","260508","2021-01-05","07:18:50",""
"7706369","17.0415","0.0016","8.9433","0.0009","16.9729","0.0019","90","","90.314","0.004","90","","2586.8","0.5","273","2","273.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H20 Cl2 Co N4 -","- C22 H20 Cl2 Co N4 -","- C88 H80 Cl8 Co4 N16 -","4","1","","Guo, Xusheng; Li, Chao; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong; Zhou, Qianxiong","Polypyridyl Co complex-based water reduction catalysts: why replace a pyridine group with isoquinoline rather than quinoline?","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2042","2049","10.1039/c9dt04767k","","","0.71073","MoKα","","0.0766","0.0682","","","0.1856","0.1968","","","","","","1.052","","","","has coordinates","262641","2021-03-05","02:04:30",""
"7706804","20.526","0.012","8.886","0.005","11.161","0.007","90","","94.89","0.009","90","","2028","2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H24 Au Cl N2 O -","- C21 H24 Au Cl N2 O -","- C84 H96 Au4 Cl4 N8 O4 -","4","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0625","0.0436","","","0.0828","0.0886","","","","","","0.858","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706819","27.994","0.002","11.1776","0.0014","24.045","0.003","90","","96.914","0.01","90","","7469.1","1.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H42 Fe N4 O4 -","- C38 H42 Fe N4 O4 -","- C304 H336 Fe8 N32 O32 -","8","2","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.1037","0.0541","","","0.1079","0.1325","","","","","","0.996","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706820","27.846","0.002","11.1554","0.0006","23.762","0.002","90","","97.506","0.007","90","","7318","0.9","114","12","114","12","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H42 Fe N4 O4 -","- C38 H42 Fe N4 O4 -","- C304 H336 Fe8 N32 O32 -","8","2","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.1421","0.0698","","","0.1259","0.1562","","","","","","0.994","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706841","22.7224","0.0011","27.2567","0.0013","28.5054","0.0014","90","","103.334","0.003","90","","17178.5","1.5","170","2","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C140 H252 N44 O48 U4 -","- C84 H108 N24 O32 U4 -","- C336 H432 N96 O128 U16 -","4","1","","Zeng, Li-Wen; Hu, Kong-Qiu; Huang, Zhi-Wei; Mei, Lei; Kong, Xiang-He; Liu, Kang; Zhang, Xiao-Lin; Zhang, Zhi-Hui; Chai, Zhi-Fang; Shi, Wei-Qun","Controlling the secondary assembly of porous anionic uranyl-organic polyhedra through organic cationic templates.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4499","4503","10.1039/d1dt00289a","","","1.54178","CuKα","","0.0536","0.0482","","","0.1249","0.1281","","","","","","1.048","","","","has coordinates","266050","2021-06-05","18:43:44",""
"7707258","17.7902","0.0008","6.1119","0.0002","23.7144","0.001","90","","110.671","0.005","90","","2412.51","0.19","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H21 Ag N O13 S2 -","- C18 H21 Ag N O13 S2 -","- C72 H84 Ag4 N4 O52 S8 -","4","1","","Alba, Laurenzo D. V.; Hatanaka, Tsubasa; Franco, Francisco C.; Nojiri, Masaki; Noel, Marissa G.; Funahashi, Yasuhiro","Complex formation of silver(I) ions with a glucosinolate derivative: structural and mechanistic insights into myrosinase-mimicking C-S bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8292","8296","10.1039/d1dt00695a","","x-ray","0.71073","MoKα","","0.075","0.0445","","","0.0902","0.0978","","","","","","0.968","","","","has coordinates,has disorder","267143","2021-07-05","17:28:39",""
"7707343","38.6148","0.0007","5.2928","0.0001","20.9507","0.0003","90","","105.394","0.002","90","","4128.29","0.13","120","0.16","120.15","","","","","","","","","5","C 1 2 1","C 2y","5","","[2,6-di(pyrazol-1-yl)pyrid-4-yl]methyl (R)-lipoate","","- C20 H23 N5 O2 S2 -","- C20 H23 N5 O2 S2 -","- C160 H184 N40 O16 S16 -","8","2","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","","1.54184","CuKα","","0.0353","0.0324","","","0.0802","0.0822","","","","","","1.042","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707487","23.891","0.003","13.2144","0.0014","21.639","0.002","90","","110.724","0.003","90","","6389.5","1.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H80 Ga N2 Na O7 -","- C72 H80 Ga N2 Na O7 -","- C288 H320 Ga4 N8 Na4 O28 -","4","1","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1435","0.105","","","0.1831","0.2037","","","","","","1.042","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7708138","14.7016","0.0007","9.6101","0.0005","13.1023","0.0007","90","","133.621","0.001","90","","1340.08","0.12","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H18 Br4 Co F2 N2 O2 -","- C28 H18 Br4 Co F2 N2 O2 -","- C56 H36 Br8 Co2 F4 N4 O4 -","2","0.5","","Chen, Yue; Yang, Qi; Peng, Guo; Zhang, Yi-Quan; Ren, Xiaoming","Influence of F-position and solvent on coordination geometry and single ion magnet behavior of Co(II) complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02148F","","","0.71073","MoKα","","0.0357","0.0287","","","0.0587","0.0619","","","","","","1.048","","","","has coordinates","268210","2021-08-25","22:57:13",""
"7708184","11.5005","0.0006","21.0732","0.0009","11.858","0.0006","90","","114.857","0.006","90","","2607.6","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H39 B2 K N2 O4.5 -","- C22 H39 B2 K N2 O4.5 -","- C88 H156 B8 K4 N8 O18 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0364","0.0339","","","0.0835","0.086","","","","","","1.057","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7708288","28.6206","0.0004","7.38672","0.00013","8.17443","0.00013","90","","91.0315","0.0015","90","","1727.9","0.05","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","D-Ru(acac)(trop)2","","- C19 H17 O6 Ru -","- C19 H17 O6 Ru -","- C76 H68 O24 Ru4 -","4","1","","Yoshida, Jun; Yamazaki, Kana; Tateyama, Kazunori; Yuge, Hidetaka; Sato, Hisako","Chiroptical switching behavior of heteroleptic ruthenium complexes bearing acetylacetonato and tropolonato ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02592A","","","1.54184","CuKα","","0.0201","0.02","","","0.0521","0.0521","","","","","","1.103","","","","has coordinates","269137","2021-09-14","22:55:02",""
"7708289","28.5743","0.0004","7.3986","0.0001","8.1753","0.0001","90","","90.911","0.001","90","","1728.12","0.04","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Ru(acac)(trop)2","","- C19 H17 O6 Ru -","- C19 H17 O6 Ru -","- C76 H68 O24 Ru4 -","4","1","","Yoshida, Jun; Yamazaki, Kana; Tateyama, Kazunori; Yuge, Hidetaka; Sato, Hisako","Chiroptical switching behavior of heteroleptic ruthenium complexes bearing acetylacetonato and tropolonato ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02592A","","x-ray","1.54184","CuKα","","0.0208","0.0199","","","0.0512","0.0515","","","","","","1.118","","","","has coordinates","269137","2021-09-14","22:55:03",""
"7709200","23.9498","0.0005","15.1713","0.0002","14.5364","0.0004","90","","97.584","0.002","90","","5235.6","0.2","129.9","0.6","129.9","0.6","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C53 H31 Cr0.5 Ir4 N8 O11 Sn -","- C53 H31 Cr0.5 Ir4 N8 O11 Sn -","- C212 H124 Cr2 Ir16 N32 O44 Sn4 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","x-ray","0.71073","MoKα","","0.072","0.0565","","","0.122","0.1376","","","","","","1.107","","","","has coordinates","271648","2021-12-29","23:50:10",""
"7709302","19.1393","0.0014","17.1302","0.0013","13.5419","0.001","90","","130.556","0.001","90","","3373.3","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H108 Ca2 N4 O5 -","- C72 H108 Ca2 N4 O5 -","- C144 H216 Ca4 N8 O10 -","2","0.5","","Basalov, Ivan V.; Kissel, Alexander A.; Nikolaevskaya, Elena N.; Druzhkov, Nikolai O.; Cherkasov, Anton V.; Long, Jérôme; Larionova, Joulia; Fukin, Georgy K.; Trifonov, Alexander A.","2-Imino-2,3-dihydrobenzoxazole-a useful platform for designing rare- and alkaline earth complexes with variable di- and trianionic O,N,N, ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1995","2004","10.1039/d1dt04139h","","","0.71073","MoKα","","0.0712","0.064","","","0.1606","0.1657","","","","","","1.061","","","","has coordinates,has disorder","272678","2022-02-04","19:41:41",""
"7709474","31.2054","0.0015","12.4113","0.0006","17.276","0.0009","90","","113.261","0.002","90","","6147.1","0.5","273","","273","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C56 H47 F24 N13 Ni2 P4 -","- C56 H47 F24 N13 Ni2 P4 -","- C224 H188 F96 N52 Ni8 P16 -","4","1","","Cui, Xiaoxiao; Hao, Xiujia; Guo, Fang","Stepwise synthesis and catalysis in C-S cross-coupling of pyridine-functionalized N-heterocyclic carbene nickel (II) complexes by mechanochemistry","Dalton Transactions","2022","","","","","10.1039/D1DT03651C","","","0.71076","MoKα","","0.0604","0.0511","","","0.1258","0.1326","","","","","","1.053","","","","has coordinates","272941","2022-02-11","23:54:57",""
"7709547","23.057","0.003","7.2192","0.0006","22.309","0.002","90","","123.604","0.017","90","","3092.8","0.8","298","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H22 Br2 Cl2 Cu N7 O7 -","- C24 H22 Br2 Cl2 Cu N7 O7 -","- C96 H88 Br8 Cl8 Cu4 N28 O28 -","4","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.1081","0.0661","","","0.1643","0.2065","","","","","","1.003","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709549","23.2906","0.0018","7.2893","0.0005","22.5828","0.0017","90","","124.599","0.011","90","","3155.9","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H22 Br4 Cu N7 O7 -","- C24 H22 Br4 Cu N7 O7 -","- C96 H88 Br16 Cu4 N28 O28 -","4","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0754","0.0544","","","0.1384","0.1592","","","","","","1.007","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709717","27.977","0.0019","8.3951","0.0006","7.956","0.0005","90","","92.298","0.002","90","","1867.1","0.2","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 Ag N2 O4 -","- C15 H23 Ag N2 O4 -","- C60 H92 Ag4 N8 O16 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez González, Eleuterio; Galindo, Agustin; Pérez-Aranda, María; Pajuelo, Eloisa; Alcudia, Ana","Homochiral imidazolium-based dicarboxylate silver(I) compounds: synthesis, characterisation and antimicrobial properties","Dalton Transactions","2022","","","","","10.1039/D1DT04213K","","","0.71073","MoKα","","0.0541","0.0536","","","0.1367","0.1372","","","","","","1.103","","","","has coordinates","273626","2022-03-11","00:05:13",""
"7710076","35.8807","0.0016","5.4904","0.0002","5.4314","0.0002","90","","94.076","0.001","90","","1067.28","0.07","300","","300","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cd Cl4 N2 -","- C18 H28 Cd Cl4 N2 -","- C36 H56 Cd2 Cl8 N4 -","2","0.5","","Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang","Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization","Dalton Transactions","2022","","","","","10.1039/D2DT00592A","","","0.71073","MoKα","","0.0138","0.0137","","","0.0338","0.0338","","","","","","1.084","","","","has coordinates","274591","2022-04-19","23:20:51",""
"7710077","35.9424","0.0011","5.5098","0.0002","5.4475","0.0002","90","","94","0.003","90","","1076.17","0.06","298.98","0.12","298.98","0.12","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cd Cl4 N2 -","- C18 H28 Cd Cl4 N2 -","- C36 H56 Cd2 Cl8 N4 -","2","0.5","","Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang","Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization","Dalton Transactions","2022","","","","","10.1039/D2DT00592A","","x-ray","0.71073","MoKα","","0.0225","0.0224","","","0.054","0.054","","","","","","1.052","","","","has coordinates","274591","2022-04-19","23:20:52",""
"7710548","19.2881","0.0015","17.6461","0.0013","38.074","0.003","90","","93.252","0.003","90","","12938","1.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C64 H66 B Co F24 P2 -","- C64 H66 B Co F24 P2 -","- C512 H528 B8 Co8 F192 P16 -","8","2","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0573","0.0492","","","0.1159","0.12","","","","","","1.016","","","","has coordinates,has disorder","276207","2022-06-23","23:09:10",""
"7710589","8.9417","0.0006","17.0164","0.0008","10.4599","0.0009","90","","98.318","0.007","90","","1574.79","0.19","93.2","0.3","93.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H36 Cr Mn N O20 -","- C23 H36 Cr Mn N O20 -","- C46 H72 Cr2 Mn2 N2 O40 -","2","0.5","","WU, Jiabing; Huang, Rui-Kang; Takahashi, Kiyonori; Nakamura, Takayoshi","Solvent Dependence of Crystal Structure and Dielectric Relaxation in Ferromagnetic [MnCr(oxalate)3]− Salt","Dalton Transactions","2022","","","","","10.1039/D2DT01615J","","","0.71073","MoKα","","0.1017","0.0779","","","0.1908","0.2044","","","","","","1.028","","","","has coordinates,has disorder","276213","2022-06-23","23:19:44",""
"7710745","38.308","0.002","14.1787","0.0008","15.486","0.0009","90","","93.007","0.002","90","","8399.8","0.8","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H106 Au Cl N O28 P -","- C66 H106 Au Cl N O28 P -","- C264 H424 Au4 Cl4 N4 O112 P4 -","4","1","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","1.54178","CuKα","","0.043","0.042","","","0.1002","0.1012","","","","","","1.149","","","","has coordinates","276837","2022-07-23","00:13:03",""
"7711442","8.1236","0.0009","9.4686","0.0009","15.3633","0.0019","90","","95.658","0.011","90","","1176","0.2","227","40","227","40","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H20 Br0.4 I3.6 N6 O4 Pb -","- C12 H20 Br0.4 I3.6 N6 O4 Pb -","- C24 H40 Br0.8 I7.2 N12 O8 Pb2 -","2","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A.","Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine","Dalton Transactions","2022","","","","","10.1039/D2DT03025J","","x-ray","0.71073","MoKα","","0.0798","0.0499","","","0.1054","0.1112","","","","","","0.935","","","","has coordinates,has disorder","278373","2022-10-05","22:40:41",""
"7711548","19.58205","0.00016","18.45363","0.00015","19.78771","0.00014","90","","92.1497","0.0007","90","","7145.45","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H160 Cl8 Dy8 N8 O60 -","- C68 H104 Cl8 Dy8 N8 O46 -","- C136 H208 Cl16 Dy16 N16 O92 -","2","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","","1.54184","CuKα","","0.0684","0.0676","","","0.1757","0.1766","","","","","","1.098","","","","has coordinates,has disorder","278759","2022-10-24","23:14:34",""
"7711550","19.561","0.0001","18.4098","0.0001","19.7486","0.0001","90","","92.095","0.001","90","","7107","0.06","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C88 H184 Cl8 Dy8 N8 O66 -","- C64 H92 Cl8 Dy8 N8 O44 -","- C128 H184 Cl16 Dy16 N16 O88 -","2","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","","1.54184","CuKα","","0.0454","0.0433","","","0.1159","0.1172","","","","","","1.074","","","","has coordinates,has disorder","278759","2022-10-24","23:14:34",""
"7711595","21.51","0.003","11.7559","0.0014","12.4242","0.0014","90","","100.044","0.002","90","","3093.6","0.7","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H72 Br2 Cu4 N6 -","- C56 H72 Br2 Cu4 N6 -","- C112 H144 Br4 Cu8 N12 -","2","0.5","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.0594","0.0412","","","0.0984","0.1061","","","","","","1.015","","","","has coordinates","278842","2022-10-27","22:59:50",""
"7711596","21.7379","0.0012","11.7973","0.0006","12.4396","0.0007","90","","100.382","0.002","90","","3137.9","0.3","293.15","","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H72 Cu4 I2 N6 -","- C56 H72 Cu4 I2 N6 -","- C112 H144 Cu8 I4 N12 -","2","0.5","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.061","0.035","","","0.0716","0.0797","","","","","","1.031","","","","has coordinates,has disorder","278842","2022-10-27","22:59:50",""
"7712592","23.7335","0.0011","13.5133","0.0007","12.4009","0.0007","90","","97.156","0.005","90","","3946.2","0.4","100","0.1","100.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H54 N2 Ni O2 S2 -","- C42 H54 N2 Ni O2 S2 -","- C168 H216 N8 Ni4 O8 S8 -","4","1","","Biswas, Bhaskar; Paramanik, Krishnendu; Banerjee, Nilaj; Sarkar, Gayetri; Chatterjee, Souvik; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Das, Hari Sankar","Ligand-Metal Cooperativity in Quinonoid Based Nickel(II) and Cobalt(II) Complexes for Catalytic Hydrosilylative Reduction of Nitrile to Amine: Electron Transfer and Mechanistic Insight","Dalton Transactions","2023","","","","","10.1039/D3DT00090G","","","0.71073","MoKα","","0.0585","0.0447","","","0.1066","0.1145","","","","","","1.04","","","","has coordinates,has disorder","281821","2023-03-11","00:07:10",""
"7712770","7.7771","0.0006","5.5309","0.0004","24.5099","0.0017","90","","92.418","0.003","90","","1053.34","0.13","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H38 O4 Zn -","- C20 H38 O4 Zn -","- C40 H76 O8 Zn2 -","2","0.5","","Wagner, Molly; Pigliapochi, Roberta; DI TULLIO, VALERIA; Catalano, Jaclyn; Zumbulyadis, Nicholas; Centeno, Silvia; Wang, Xiaoling; Chen, Kuizhi; Hung, Ivan; Gan, Zhehong; Dworzak, Michael; Yap, Glenn P. A.; Dybowski, Cecil","Multi-Technique Structural Analysis of Zinc Carboxylates (Soaps)","Dalton Transactions","2023","","","","","10.1039/D3DT00184A","","","1.54178","CuKα","","0.0344","0.0337","","","0.0918","0.0934","","","","","","1.196","","","","has coordinates","282657","2023-04-15","22:46:22",""
"7712855","28.1944","0.0018","18.4331","0.0018","17.3971","0.0012","90","","105.824","0.007","90","","8698.8","1.2","140","0.1","140","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C96 H64 N16 Pd4 -","- C96 H64 N16 Pd4 -","- C192 H128 N32 Pd8 -","2","0.5","","Li, Ru-Jin; de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Construction of Pd-based coordination cages with three geometrically distinct ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00248a","","x-ray","0.71073","MoKα","","0.0605","0.0335","","","0.0683","0.0777","","","","","","0.823","","","","has coordinates","282813","2023-04-24","22:57:57",""
"7712936","18.44","0.003","10.1792","0.0016","5.9928","0.0009","90","","103.022","0.005","90","","1095.9","0.3","250","2","250","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C18 H26 Fe O2 S2 -","- C18 H26 Fe O2 S2 -","- C36 H52 Fe2 O4 S4 -","2","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0331","0.033","","","0.099","0.0991","","","","","","1.038","","","","has coordinates","282981","2023-05-04","05:27:35",""
"7712938","18.4422","0.0019","10.123","0.001","6.0952","0.0007","90","","101.428","0.004","90","","1115.4","0.2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C18 H24 F2 Fe O2 S2 -","- C18 H24 F2 Fe O2 S2 -","- C36 H48 F4 Fe2 O4 S4 -","2","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0284","0.0278","","","0.0781","0.0787","","","","","","1.028","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7713119","16.3085","0.0004","10.0558","0.0002","23.0623","0.0005","90","","110.063","0.002","90","","3552.59","0.14","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H41 Cl N2 Pd -","- C38 H41 Cl N2 Pd -","- C152 H164 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0214","0.0207","","","0.0526","0.053","","","","","","1.049","","","","has coordinates","283948","2023-05-22","22:57:21",""
"7713252","13.8114","0.0001","11.4705","0.0001","28.9055","0.0002","90","","103.897","0.001","90","","4445.27","0.06","100.5","0.9","100.5","0.9","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 O2 Sb -","- C25 H29 O2 Sb -","- C200 H232 O16 Sb8 -","8","2","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0205","0.0204","","","0.0531","0.0531","","","","","","1.031","","","","has coordinates","284608","2023-06-29","10:45:05",""
"7713367","22.2582","0.0005","9.3625","0.0003","11.5564","0.0004","90","","92.508","0.003","90","","2405.96","0.13","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H48 Br10 N4 O12 Pb3 -","- C20 H48 Br10 N4 O12 Pb3 -","- C40 H96 Br20 N8 O24 Pb6 -","2","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta; Dascalu, Andrei; Shova, Sergiu; Gural'skiy, Il'ya A.","Structural diversity in proline-based lead bromide chiral perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02056H","","x-ray","0.71073","MoKα","","0.0698","0.0427","","","0.0588","0.0675","","","","","","0.997","","","","has coordinates","284789","2023-07-04","23:01:11",""
"7713420","29.7238","0.001","17.4037","0.0006","62.791","0.002","90","","103.217","0.001","90","","31621.6","1.8","180","","180","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C183 H159 B2 Dy2 N19 O5 -","- C172 H140 B2 Dy2 N14 O4 -","- C1376 H1120 B16 Dy16 N112 O32 -","8","2","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.0569","0.04","","","0.077","0.0843","","","","","","1.028","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713423","29.7543","0.0012","17.3502","0.0007","62.722","0.002","90","","103.169","0.001","90","","31528","2","180","","180","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C180 H154.5 B2 Dy2 N17.5 O5 -","- C168 H134 B2 Dy2 N12 O4 -","- C1344 H1072 B16 Dy16 N96 O32 -","8","2","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.2285","0.1029","","","0.2485","0.3448","","","","","","1.001","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713474","18.8453","0.0008","8.0828","0.0003","11.4284","0.0005","90","","104.375","0.004","90","","1686.3","0.12","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","CobaltFluorocubane 1D MOF","","- C16 H32 Co4 F4 N10 O12 S3 -","- C16 H32 Co4 F4 N10 O12 S3 -","- C32 H64 Co8 F8 N20 O24 S6 -","2","0.5","","Behera, Jogendra Nath; Sahoo, Malaya Kumar","Structure and magnetic properties of an amine-templated one-dimensional cobalt-fluoro-sulfate containing Co4F4 Cubane & hydrogen evolution reaction (HER) performance of its derived carbon-wrapped CoSe2 nanorods","Dalton Transactions","2023","","","","","10.1039/D3DT01789C","","x-ray","0.71073","MoKα","","0.0636","0.062","","","0.1795","0.1801","","","","","","1.125","","","","has coordinates,has disorder","285214","2023-07-14","22:50:06",""
"7713662","19.967","0.004","16.817","0.003","19.356","0.004","90","","104.33","0.02","90","","6297","2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C101.7 H181.2 Gd4 N16 O40.9 -","- C101.7 H178.8 Gd4 N16 O40.9 -","- C203.4 H357.6 Gd8 N32 O81.8 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","0.71073","MoKα","","0.0284","0.0243","","","0.0599","0.0622","","","","","","1.048","","","","has coordinates,has disorder","285586","2023-08-08","22:50:00",""
"7713663","20.085","0.003","16.869","0.002","19.367","0.002","90","","103.93","0.02","90","","6368.8","1.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C98.1 H174.8 Eu4 N15 O38.8 -","- C98.1 H171.2 Eu4 N15 O38.8 -","- C196.2 H342.4 Eu8 N30 O77.6 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","1.5418","CuKα","","0.034","0.0326","","","0.0991","0.0999","","","","","","1.086","","","","has coordinates,has disorder","285586","2023-08-08","22:50:00",""
"7713664","19.801","0.004","16.681","0.003","19.381","0.004","90","","104.09","0.02","90","","6209","2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C97.4 H169.6 N16 O39.4 Sm4 -","- C97.4 H162.4 N16 O39.4 Sm4 -","- C194.8 H324.8 N32 O78.8 Sm8 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","1.5418","CuKα","","0.0321","0.031","","","0.0863","0.0871","","","","","","1.046","","","","has coordinates,has disorder","285586","2023-08-08","22:50:00",""
"7713665","20.134","0.005","16.859","0.004","19.337","0.005","90","","103.91","0.03","90","","6371","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C98.38 H173.92 Gd4 N15 O38.08 -","- C98.38 H171.92 Gd4 N15 O38.08 -","- C196.76 H343.84 Gd8 N30 O76.16 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","1.5418","CuKα","","0.0405","0.0392","","","0.1127","0.1136","","","","","","1.032","","","","has coordinates,has disorder","285586","2023-08-08","22:50:01",""
"7713666","20.006","0.003","16.864","0.002","19.373","0.003","90","","104.19","0.02","90","","6336.7","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C99.9 H179.6 Eu4 N16 O41.9 -","- C99.9 H175.6 Eu4 N16 O41.9 -","- C199.8 H351.2 Eu8 N32 O83.8 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","0.71073","MoKα","","0.0241","0.0223","","","0.0592","0.0599","","","","","","1.031","","","","has coordinates,has disorder","285586","2023-08-08","22:50:01",""
"7713745","24.0035","0.0007","11.2516","0.0005","6.9622","0.0002","90","","95.678","0.002","90","","1871.11","0.11","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","HIAM-3007","","- C16 H8 N6 Se Zn -","- C16 H8 N6 Se Zn -","- C64 H32 N24 Se4 Zn4 -","4","1","","Xia, Hai-Lun; Zhou, Kang; Wang, Lei; Zhang, Jian; Liu, Xiao-Yuan","Linker Engineering Toward Near-Infrared-I Emissive Metal-Organic Frameworks for Amines Detection","Dalton Transactions","2023","","","","","10.1039/D3DT02134C","","","1.54178","CuKα","","0.055","0.0478","","","0.1204","0.1252","","","","","","1.028","","","","has coordinates,has disorder","285777","2023-08-15","22:53:08",""
"7714120","26.777","0.018","9.568","0.003","9.796","0.005","90","","109.1","0.01","90","","2372","2","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H84 Ge2 Mn2 O P8 -","- C32 H84 Ge2 Mn2 O P8 -","- C64 H168 Ge4 Mn4 O2 P16 -","2","0.5","","Price, Jeffrey S.; Vargas-Baca, Ignacio; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)] with hydrogermanes to form germylene, germyl, hydrogermane, and germanide complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02437g","","","0.71073","MoKα","","0.1031","0.0604","","","0.1473","0.1562","","","","","","0.95","","","","has coordinates,has disorder","286690","2023-10-05","22:50:01",""
"7714150","31.694","0.003","9.62","0.0008","16.0832","0.0013","90","","100.727","0.003","90","","4818","0.7","170","","170","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76 H76 Cd3 N16 O17.8 S1.6 -","- C76 H63.6 Cd3 N16 O11.6 S1.6 -","- C152 H127.2 Cd6 N32 O23.2 S3.2 -","2","0.5","","Guo, Yuanyuan; Wang, Ruidong; Wei, Wei-Ming; Fang, Fang; Zhao, Xu-Hui; Zhang, Suo-Shu; Shen, Tian-Ze; Zhang, Jun; Zhao, Qi-Hua; Wang, Juan","Structure and properties of metal-organic frameworks precisely modulated by sulfate ion","Dalton Transactions","2023","","","","","10.1039/D3DT01995K","","","0.71073","MoKα","","0.1196","0.08","","","0.207","0.2421","","","","","","1.053","","","","has coordinates,has disorder","286836","2023-10-06","23:05:36",""
"7714518","17.4066","0.0007","8.758","0.0004","13.1177","0.0006","90","","128.639","0.001","90","","1562","0.12","133","2","133","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H44 Ge4 -","- C32 H44 Ge4 -","- C64 H88 Ge8 -","2","0.5","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André","Bis(tetrelocenes) - fusing tetrelocenes into close proximity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02664g","","","0.71073","MoKα","","0.0237","0.0213","","","0.0434","0.0443","","","","","","1.019","","","","has coordinates","287697","2023-11-20","23:57:15",""
"7714519","17.5006","0.0007","8.6628","0.0003","13.3527","0.0006","90","","130.2","0.002","90","","1546.17","0.12","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H44 Ge2 Si2 -","- C32 H44 Ge2 Si2 -","- C64 H88 Ge4 Si4 -","2","0.5","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André","Bis(tetrelocenes) - fusing tetrelocenes into close proximity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02664g","","","0.71073","MoKα","","0.0143","0.0139","","","0.0371","0.0372","","","","","","1.081","","","","has coordinates","287697","2023-11-20","23:57:15",""
"7714940","30.89","0.005","6.9726","0.001","21.83","0.003","90","","134.968","0.007","90","","3326.5","0.9","273","","273","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18.5 H17.75 Fe N3.25 O -","- C18 H17 Fe N3 O -","- C144 H136 Fe8 N24 O8 -","8","2","","Sindhu, M.; Kalaivani, P.; Prabusankar, G.; Sivasamy, R.; Prabhakaran, R.","Preparation of new organo-ruthenium(II) complexes and their nucleic acid/albumin binding efficiency and <i>in vitro</i> cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3075","3096","10.1039/d3dt04017h","","","0.71073","MoKα","","0.0627","0.0371","","","0.0696","0.0776","","","","","","1.0203","","","","has coordinates,has disorder","290198","2024-03-04","20:22:19",""
"7715219","34.8025","0.0003","11.9189","0.0001","23.7047","0.0002","90","","104.648","0.001","90","","9513.3","0.15","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C98 H103 B4 N21 Ni2 -","- C98 H103 B4 N21 Ni2 -","- C392 H412 B16 N84 Ni8 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0524","0.0488","","","0.1395","0.1439","","","","","","1.081","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715242","20.896","0.003","11.1691","0.0013","16.882","0.0019","90","","108.583","0.004","90","","3734.7","0.8","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H65 Ga N4 O2 -","- C38 H65 Ga N4 O2 -","- C152 H260 Ga4 N16 O8 -","4","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","x-ray","0.71073","MoKα","","0.0831","0.081","","","0.2017","0.2049","","","","","","1.029","","","","has coordinates,has disorder","290976","2024-04-04","23:34:21",""
"7715442","27.067","0.007","13.513","0.003","12.427","0.002","90","","101.042","0.011","90","","4461.1","1.7","293","2","293","2","","","","","","","Synthesis","7","C 1 2 1","C 2y","5","4","4","","- C66 H78 Ba2 Cl Fe3 N6 O40 -","- C66 H78 Ba2 Cl Fe3 N6 O40 -","- C132 H156 Ba4 Cl2 Fe6 N12 O80 -","2","0.5","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0508","0.0488","","","0.1402","0.1453","","","","","","1.117","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715825","35.6573","0.0007","8.2326","0.0002","18.9983","0.0004","90","","90.879","0.002","90","","5576.3","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C69.5 H54 N3 O8 Zn1.5 -","- C69.5 H54 N3 O8 Zn1.5 -","- C278 H216 N12 O32 Zn6 -","4","1","","Tauchi, Daiki; Kanno, Katsuya; Hasegawa, Masashi; Mazaki, Yasuhiro; Tsubaki, Kazunori; Sugiura, Ken-ichi; Shiga, Takuya; Mori, Seiji; Nishikawa, Hiroyuki","Aggregation-induced enhanced fluorescence emission of chiral Zn(II) complexes coordinated by Schiff-base type binaphthyl ligands","Dalton Transactions","2024","","","","","10.1039/D4DT00903G","","","0.71073","MoKα","","0.0484","0.0415","","","0.0964","0.0996","","","","","","1.028","","","","has coordinates,has disorder","291356","2024-04-25","22:50:00",""
"7715826","35.7404","0.0007","8.2238","0.0002","18.9816","0.0004","90","","90.815","0.002","90","","5578.5","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C69.5 H54 N3 O8 Zn1.5 -","- C69.5 H54 N3 O8 Zn1.5 -","- C278 H216 N12 O32 Zn6 -","4","1","","Tauchi, Daiki; Kanno, Katsuya; Hasegawa, Masashi; Mazaki, Yasuhiro; Tsubaki, Kazunori; Sugiura, Ken-ichi; Shiga, Takuya; Mori, Seiji; Nishikawa, Hiroyuki","Aggregation-induced enhanced fluorescence emission of chiral Zn(II) complexes coordinated by Schiff-base type binaphthyl ligands","Dalton Transactions","2024","","","","","10.1039/D4DT00903G","","","0.71073","MoKα","","0.0464","0.0403","","","0.0952","0.0979","","","","","","1.032","","","","has coordinates,has disorder","291356","2024-04-25","22:50:01",""
"8000150","22.397","0.009","10.14","0.003","8.257","0.003","90","","106.03","0.03","90","","1802.3","1.1","173.1","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Yoshida, Sanae; Kito, Keijiro; Ooi, Takashi; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori","Four Pimarane Diterpenes from Marine Fungus: Chloroform Incorporated in Crystal Lattice for Absolute Configuration Analysis by X-ray","Chemistry Letters","2007","36","11","1386","","10.1246/cl.2007.1386","","","0.7107","MoKα","","","0.041","","","","0.049","","","","","","1.049","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000508","12.6429","0.0003","12.1175","0.0002","11.3048","0.0003","90","","113.733","0.003","90","","1585.43","0.07","172.99","0.1","172.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H34 Fe N4 O8 -","- C34 H34 Fe N4 O8 -","- C68 H68 Fe2 N8 O16 -","2","0.5","","Liu, Bingyu; Hao, Aiyou; Xing, Pengyao","Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides","The Journal of Physical Chemistry Letters","2021","","","6190","6196","10.1021/acs.jpclett.1c01231","","x-ray","1.54184","CuKα","","0.0325","0.0319","","","0.0777","0.0779","","","","","","1.063","","","","has coordinates","266817","2021-06-30","23:30:00",""
"8100318","19.041","0.004","5.2113","0.0011","9.1866","0.0019","90","","111.599","0.017","90","","847.5","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H32 N4 Si -","- C12 H32 N4 Si -","- C24 H64 N8 Si2 -","2","0.5","","Engering, Josef; Nuss, Jürgen; Jansen, Martin","Crystal structure of tetrakis(isopropylamino)silane, Si(NHC~3~H~7~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","201","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100361","9.0613","0.0013","8.7105","0.0009","6.2195","0.0008","90","","111.993","0.006","90","","455.17","0.1","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","CsGaHP3 O10","","","- Cs Ga H O10 P3 -","- Cs Ga H O10 P3 -","- Cs2 Ga2 H2 O20 P6 -","2","0.5","","Mi, Jin-Xiao; Borrmann, Horst; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger","Crystal structure of the α-modification of caesium gallium(III) monohydrogen triphosphate, α-CsGaHP~3~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","167","168","10.1524/ncrs.2003.218.2.167","","","","","","","","","","","","","","","","","","","","","has coordinates","256929","2020-10-21","18:00:00",""
"8100386","14.109","0.003","10.263","0.002","15.29","0.003","90","","102.61","0.03","90","","2160.6","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H18 Cl4 Cu N4 -","- C18 H18 Cl4 Cu N4 -","- C72 H72 Cl16 Cu4 N16 -","4","1","","Casellato, U.; Ettorre, R.; Graziani, R.","Crystal structure of bis(1-phenylimidazolium) tetrachlorocuprate(II), (C~9~H~9~N~2~)~2~(CuCl~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","343","344","","","","","","","","0.0398","","","0.0984","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100635","39.82","0.002","5.3038","0.0003","15.4373","0.0009","90","","110.222","0.004","90","","3059.3","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C128 H168 N8 O32 -","8","2","","Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R,6aS)-1-benzyl-4,5,6-trihydroxy- 5,6-O-isopropylidene-3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]isoxazole, C~16~H~21~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","281","282","","","","","","","","0.068","","","0.1835","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100637","21.1727","0.0008","5.5793","0.0003","12.8757","0.0006","90","","93.32","0.004","90","","1518.44","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker","Crystal structure of (1S,2R,3S,4S,5R)-7-benzyl-2,3-O-isopropylidene- 6-oxa-7-aza-bicyclo[3.2.1]octan-2,3,4-triol, C~16~H~21~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","283","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100834","18.153","0.006","9.754","0.003","13.682","0.005","90","","121.71","0.04","90","","2060.9","1.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Cérésiat, Marcel; Marchand-Brynaert, Jacqueline","Crystal structure of (6R,7S)-N-benzhydryl-6-hydroxy-7-methyl-2-tert- butyl-4,5,6,7-tetrahydro-4-aza-oxepin-5-one, C~23~H~27~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","53","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100843","13.95","0.002","16.005","0.004","7.678","0.001","90.01","0.02","112.8","0.01","90","0.02","1580.2","0.5","296.2","","296.2","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C9 H18 B F4 Mn N2 O4 -","- C9.01 H18 B F4 Mn N2 O4 -","- C36.04 H72 B4 F16 Mn4 N8 O16 -","4","1","","Horn, E.; Horiuchi, A.","Crystal structure of aquo-(N,N,N',N'-1,1,4,4-tetramethylethenediamine)- tricarbonyl-manganese(I) tetrafluoroborate, [(H~2~O)(CO)~3~(C~6~H~16~N~2~) Mn](BF~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","73","76","","","","","","","","0.0485","","","0.046","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101001","11.0473","0.0009","7.5605","0.0006","17.162","0.001","90","","90.105","0.002","90","","1433.4","0.2","296.7","","296","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H16 Fe N O8 -","- C11 H16 Fe N O8 -","- C44 H64 Fe4 N4 O32 -","4","1","","Shan, Yongkui; Huang, Songping D.","Crystal structure of bis(R-(+)-1-phenylethylammonium) tetraaquatrioxolatodiferrate, [C~6~H~5~CH(CH~3~)NH~3~]~2~[Fe~2~(C~2~O~4~)~3~(H~2~O)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","373","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","198679","2020-10-21","18:00:00",""
"8101533","16.217","0.003","5.235","0.004","20.756","0.003","90","","103.289","0.011","90","","1715","1.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","(-)-α-Conidendrin","","","- C20 H20 O6 -","- C23 H20 O6 -","- C92 H80 O24 -","4","1","","Stomberg, Rolf; Lundquist, Knut","Crystal structure of (-)-α-conidendrin, C~20~H~20~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","403","404","","","","","","","","0.0444","","","0.1291","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101536","19.844","0.005","5.684","0.002","14.646","0.006","90","","90.51","0.03","90","","1651.9","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Jnoff, Eric; Ghosez, Leon","Crystal structure of S-ethyl (3S,4R,5S,6S)-5-carbothioate-3,4-dimethyl- 6-phenyltetrahydropyridin-2(1H)-one, C~16~H~21~NO~2~S","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","321","322","","","","","","","","0.0772","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101537","28.091","0.004","9.209","0.002","11.142","0.002","90","","97.31","0.01","90","","2858.9","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H18.5 N2 O5.25 -","- C13 H18.5 N2 O5.25 -","- C104 H148 N16 O42 -","8","2","","Tinant, Bernard; Declercq, Jean-Paul; Jnoff, Eric; Ghosez, Leon","Crystal structure of 6-acetyl-3,4-dimethyl-5-[(2-oxo-1,3-oxazolidin- 3-yl)-carbonyl]tetrahydropyridin-2(1H)-one—water (4/1), C~13~H~18~N~2~O~5~ · 0.25 H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","323","325","","","","","","","","0.0512","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101687","18.623","0.004","9.702","0.0019","7.77","0.0016","90","","98.19","0.03","90","","1389.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","sesquiterpene spartidienedione","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","D. Ruiz; P. Rivera; I. Brito; M. Rodríguez; V. Manríquez","Crystal structure of sesquiterpene spartidienedione, C~15~H~22~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","87","88","","","","0.71073","MoKα","","0.0579","0.0575","","","0.1314","0.1326","","","","","","1.094","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101783","25.573","0.003","10.4527","0.0013","14.159","0.002","90","","113.674","0.008","90","","3466.3","0.8","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","3β-[5-phenyl-(2E,4E)-penta-2,4-dienoyloxy]-olean-12-ene","","- C41 H58 O2 -","- C41 H58 O2 -","- C164 H232 O8 -","4","1","","Humberto, M. M. S.; Da Silva, V. R. M.; Sant'Ana, A. E. G.; De Simone, C. A.; Malta, V. R. S.; Pereira, M. A.","Crystal structure of 3β-[5-phenyl-(2E,4E)-penta-2,4-dienoyloxy]- olean-12-ene, C~41~H~58~O~2~, from Peltastes peltatus","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","358","360","","","","0.71073","MoKα","","0.1004","0.0689","","","0.1533","0.1798","","","","","","1.004","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101789","9.108","0.002","6.5314","0.001","13.3063","0.0019","90","","105.11","0.016","90","","764.2","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","aqua-bis(betaine)sodium bromide","aqua-bis(N,N,N-trimethylammonioacetato)sodium bromide","","- C10 H24 Br N2 Na O5 -","- C10 H24 Br N2 Na O5 -","- C20 H48 Br2 N4 Na2 O10 -","2","0.5","","V. H. Rodrigues; M. M. R. Costa; A. Klöpperpieper; M. R. Chaves; A. Almeida; J. Agostinho Moreira","Crystal structure of aqua-bis(N,N,N-trimethylammonioacetato)sodium bromide, [Na(H~2~O){(CH~3~)~3~NCH~2~COO}~2~]Br","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","363","364","","","","0.71073","MoKα","","0.0382","0.0317","","","0.0887","0.092","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101817","16.508","0.005","6.11","0.0018","11.165","0.003","90","","110.206","0.005","90","","1056.8","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","S,R-(+)-N-Methylephedrine","S,R-(+)-N-Methylephedrine","","- C11 H17 N O -","- C11 H17 N O -","- C44 H68 N4 O4 -","4","1","","R. J. Staples; A. A. Spencer","Crystal structure of S,R-(+)-N-methylephedrine, C~11~H~17~NO","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","437","438","","","x-ray","0.71073","MoKα","","0.0382","0.0321","","","0.084","0.0897","","","","","","1.055","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101939","17.412","0.002","12.913","0.003","6.5669","0.0001","90","","111.934","0.018","90","","1369.6","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","catena-[(μ~3~-benzene-1,3,5-tricarboxylato)(μ~2~-benzene-1,3,5- tricarboxylato)-dodecaaqua-tricopper(ii)]","","- C18 H30 Cu3 O24 -","- C18 H30 Cu3 O24 -","- C36 H60 Cu6 O48 -","2","0.5","","Zhang, Q.-W.; Wang, G.-X.","Crystal structure of catena-[dodecaaqua(μ^3^-benzene-1,3,5- tricarboxylato)(μ^2^-benzene-1,3,5-tricarboxylato)-tricopper (II)], Cu~3~(H~2~O)~12~(C~9~H~3~O~6~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","101","102","","","","0.71073","MoKα","","","0.0363","","","0.0786","0.0826","","","","","","0.989","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102067","14.9518","0.0017","9.6913","0.0011","10.3064","0.0012","90","","118.107","0.001","90","","1317.3","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","catena-(μ-oxo)(μ-molybdato(VI))bis(dioxo(1,10-phenanthroline)molybdenum(VI))","","- C24 H16 Mo3 N4 O9 -","- C24 H16 Mo3 N4 O9 -","- C48 H32 Mo6 N8 O18 -","2","0.5","","Zhou, D.-P.; Bi, D.-Q.","Re-determination of the crystal structure of catena-(μ-oxo) (μ-molybdato(VI))bis(dioxo(1,10-phenanthroline)-molybdenum (VI)), [Mo(O)~2~(C~12~H~8~N~2~)]~2~(O)(MoO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","503","504","","","","0.71073","MoKα","","0.0214","0.0205","","","0.0436","0.0444","","","","","","1.074","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102291","22.475","0.005","8.157","0.002","18.115","0.003","90","","97.738","0.015","90","","3290.8","1.2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","benzyl 2,3-di-O-acetyl-4,6-cyclo-4,6-dideoxy-b-D-galactopyranosyl-(1->4)-2,3,6-tri-O-acetyl-b-D-glucopyranoside","","- C29 H36 O14 -","- C29 H36 O14 -","- C116 H144 O56 -","4","1","","Wolfgang Frey; Robert Sardzik; Volker Jäger","Crystal structure of benzyl 2,3-di-O-acetyl-4,6-cyclo-4,6-dideoxy-β-D-galactopyranosyl-(1-4)-2,3,6- tri-O-acetyl-β-D-glucopyranoside, C29H36O14","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","259","","","","","0.71073","MoKα","","0.0816","0.0589","","","0.1526","0.1662","","","","","","1.031","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102438","22.0083","0.0006","6.1827","0.0002","21.5654","0.0007","90","","91.252","0.002","90","","2933.72","0.16","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","bis(π-allylvalencene)dichlorodipalladium","","- C30 H46 Cl2 Pd2 -","- C30 H46 Cl2 Pd2 -","- C120 H184 Cl8 Pd8 -","4","1","","Amine El Farrouji; Larbi El Firdoussi; Mustapha Ait Ali; Abdallah Karim; Anke Spannenberg","Crystal structure of bis(p-allylvalencene)dichlorodipalladium, [PdCl(C15H23)]2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","385","","","","","0.71073","MoKα","","0.0211","0.0185","","","0.0385","0.0387","","","","","","0.92","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102550","19.187","0.002","11.5213","0.0012","12.3449","0.0014","90","","124.563","0.002","90","","2247.3","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","Taibaihenryiin A","1R,2S,3R,5S,8S,9S,10S,15S)-9,10,15-trihydroxy-2,12,12-trimethyl-6-methylene-7-oxo-17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadec-3-yl acetate","","- C22 H33 O8.5 -","- C22 H33 O8.5 -","- C88 H132 O34 -","4","1","","Hao Shi; Liu Yang","Crystal structure of (1R,2S,3R,5S,8S,9S,10S,15S)-9,10,15-trihydroxy-2,12,12-trimethyl-6-methylene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]-octadec-3-yl acetate sesquihydrate, C22H30O7 · 1.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","533","","","","","0.71073","MoKα","","0.0631","0.0432","","","0.0975","0.112","","","","","","1.089","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102666","27.754","0.006","9.7332","0.0019","14.014","0.003","90","","93.95","0.03","90","","3776.7","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","cyclo-(L-alanyl-L-N-methylphenylalanine-L-leucyl-L-N-methyltyrosyl- o-aminobenzoyl)methanol oxygen (1:0.75:0.5), C36H43N5O6 CH3OH H2O, a Cycloaspeptide A","","- C36.75 H47 N5 O7.25 -","- C36.75 H46 N5 O7.25 -","- C147 H184 N20 O29 -","4","1","","Yong-Gang Zhang; Xue-Kui Xia; Wen-Peng Yuan; Xin Liu; Mian-Song Zhang; Xiu-Mei Meng; Xiao-Jun Wang; Chang-Heng Liu","Crystal structure of cyclo(L-alanyl-L-N-methylphenylalanine-L-leucyl-L-N-methyltyrosyl-o-aminobenzoyl) — methanol — water (1:0.75:0.5), C36H43N5O6 · 0.75CH3OH · 0.5H2O, a Cycloaspeptide A","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","236","","","","","0.71073","MoKα","","0.1261","0.0582","","","0.1238","0.1538","","","","","","0.902","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103160","8.6594","0.0007","7.973","0.0006","15.1266","0.0008","90","","94.539","0.006","90","","1041.09","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene","","- C11.5 H11 Br O -","- C11.5 H11 Br O -","- C46 H44 Br4 O4 -","4","1","","Wei-Qiu Kan; Jian-Fang Ma","Crystal structure of 2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene, C23H22Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","403","","","","","0.71073","MoKα","","0.0703","0.0371","","","0.0679","0.0732","","","","","","0.82","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103541","5.615","","5.535","","8.08","","90","","108.97","","90","","237.48","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","(Bi0.84 Co0.16 O)2 (S O4)0.84","","- Bi1.68 Co0.32 O2 S0.84 -","- Bi1.68 Co0.32 O2 S0.84 -","- Bi3.36 Co0.64 O4 S1.68 -","2","0.5","","Fanariotis, I.A.; Rentzeperis, P.J.","Crystal growth and X-ray investigation of a layered bismuth oxide sulfate in the CoSO4-Bi2O3 system","Zeitschrift fuer Kristallographie (149,1979-)","1991","194","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","145079","2020-10-21","18:00:00",""
"8103720","9.04","","17.75","","9.08","","90","","111.83","","90","","1352.5","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Ca2.96 Al6.4 Si17.6 O48 (H2 O)15","","- Al6.4 Ca2.96 H30 O63 Si17.6 -","- Al6.4 Ca2.96 O62.92 Si17.6 -","- Al6.4 Ca2.96 O62.92 Si17.6 -","1","0.25","","Slaughter, M.; Kane, W.T.","The crystal structure of disordered epistibite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","68","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104343","9.101","","17.741","","10.226","","90","","124.66","","90","","1358.1","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","Na0.95 Ca2.85 (Al6 Si18 O48) (H2 O)16","","- Al6 Ca2.85 H32 Na0.95 O64 Si18 -","- Al6 Ca2.85 Na0.95 O64 Si18 -","- Al6 Ca2.85 Na0.95 O64 Si18 -","1","0.25","","Alberti, A.; Galli, E.; Vezzalini, G.","Epistilbite: an acentric zeolite with domain structure","Zeitschrift fuer Kristallographie (149,1979-)","1985","173","","257","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104402","10.142","","6.158","","8.748","","90","","93.33","","90","","545.429","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","(N H4)2 (S2 O3)","","- H8 N2 O3 S2 -","- H8 N2 O3 S2 -","- H32 N8 O12 S8 -","4","1","","Teng, S.T.; Fuess, H.; Ihringer, J.","Structural phase transitions in (N H4)2 S2 O3","Zeitschrift fuer Kristallographie (149,1979-)","1984","169","","257","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","173429","2020-10-21","18:00:00",""
"8104815","10.6239","0.0007","10.8034","0.0009","28.959","0.003","90","","99.611","0.002","90","","3277.1","0.5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H32 Br4 N4 O4 -","- C34 H32 Br4 N4 O4 -","- C136 H128 Br16 N16 O16 -","4","1","","Jiao, Liang; Tian, Hui; Wang, Man; Li, Tianyu; Wu, Qiong","Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","311","313","10.1515/ncrs-2020-0547","","","0.71073","MoKα","","0.0492","0.0391","","","0.0878","0.0922","","","","","","1.037","","","","has coordinates","273863","2022-03-21","08:55:37",""
"8104866","29.4307","0.0004","15.42797","0.00017","18.4667","0.0002","90","","104.465","0.0012","90","","8119.11","0.17","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H46.234 O3.167 -","- C30 H46 O3 -","- C360 H552 O36 -","12","3","","Wang, Xiao-Hui; Wang, Hui-yun; Wang, Jia-Zhen; Zhang, Mei; Chen, Xiao-Qian; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of 3-oxo-urs-12-en-28-oic acid, C30H46O3·1/6H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","1","5","10.1515/ncrs-2020-0423","","x-ray","1.54184","CuKα","","0.0485","0.0432","","","0.1135","0.1197","","","","","","1.023","","","","has coordinates","273980","2022-03-25","08:34:34",""
"8105149","23.6958","0.0012","5.5334","0.0002","15.9712","0.0009","90","","132.329","0.003","90","","1548.16","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H15 I N2 O -","- C17 H15 I N2 O -","- C68 H60 I4 N8 O4 -","4","1","","El-Azab, Adel S.; Ghabbour, Hazem A.; Abdel-Aziz, Alaa A.-M.; Alkahtani, Hamad M.","Crystal structure of 6-iodo-3-phenyl-2-propylquinazolin-4(3H)-one, C17H15IN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","489","491","10.1515/ncrs-2019-0788","","","0.71073","MoKα","","0.1139","0.0464","","","0.0782","0.0931","","","","","","1.013","","","","has coordinates","274915","2022-05-05","08:02:14",""
"8105157","25.5446","0.0014","7.38025","0.00019","18.845","0.001","90","","136.543","0.01","90","","2443.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H76 Ca O19 S2 -","- C44 H76 Ca O19 S2 -","- C88 H152 Ca2 O38 S4 -","2","0.5","","Ding, Yuan-Min; Li, Rui-Peng; Chang, Ying-Jie; Zhao, Jie; Liu, Hong-Min; Li, Wen","Crystal structure of triaqua-bis(2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)-1-(2-oxo-2,5-dihydrofuran-3-yl)ethane-1-sulfonato-κ2 O,O′)calcium(II) – ethanol (1/2), C44H76CaO19S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","515","517","10.1515/ncrs-2019-0709","","x-ray","1.54184","CuKα","","0.0425","0.0419","","","0.115","0.1161","","","","","","1.038","","","","has coordinates","274923","2022-05-05","09:12:21",""
"8105428","29.7356","0.0003","5.88712","0.00004","11.10915","0.00009","90","","99.17","0.0008","90","","1919.88","0.03","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H12 Br2 O -","- C14 H12 Br2 O -","- C84 H72 Br12 O6 -","6","1.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1227","1229","10.1515/ncrs-2020-0280","","","1.54184","CuKα","","0.0167","0.0166","","","0.0442","0.0443","","","","","","1.007","","","","has coordinates","276067","2022-06-16","09:18:50",""
"8105909","11.7049","0.0004","5.0943","0.0001","14.323","0.0004","90","","100.37","0.002","90","","840.11","0.04","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 O6 Zn -","- C18 H18 O6 Zn -","- C36 H36 O12 Zn2 -","2","0.5","","Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of diaqua-bis(cinnamato-κ2 O,O′)zinc(II), C18H18ZnO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","975","976","10.1515/ncrs-2019-0194","","","0.71073","MoKα","","0.0345","0.0309","","","0.0562","0.0583","","","","","","1.086","","","","has coordinates","278658","2022-10-20","09:16:59",""
"8106312","21.684","0.013","7.275","0.004","14.32","0.009","90","","118.975","0.011","90","","1976","2","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","1","","Ye, Jiang-Hai; Zhao, Chen-Liang; Zou, Juan; He, Kang; Teng, Chao-Jie; Pan, Lu-Tai","Crystal structure of Ent-7β,20-epoxy-kaur-16-en-1β,6α,7α,14α,15α-pentaol-20-one, C20H30O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","827","828","10.1515/ncrs-2018-0038","","","0.71073","MoKα","","0.0423","0.0362","","","0.0889","0.092","","","","","","1.063","","","","has coordinates","279688","2022-12-05","09:44:18",""
"8106807","11.612","0.002","5.2119","0.0011","13.762","0.003","90","","101.151","0.003","90","","817.2","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 O8 Zn -","- C16 H18 O8 Zn -","- C32 H36 O16 Zn2 -","2","0.5","","Xiao, Wei; Yuan, Hou-Qun; Li, Yan-Xia; Hu, Chun-Yan; Bao, Guang-Ming","Crystal structure of diaquabis(phenoxyacetato-κ2 O,O′)-zinc(II), C16H18O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","139","140","10.1515/ncrs-2015-0061","","","0.71073","MoKα","","0.0255","0.0248","","","0.0786","0.079","","","","","","1.135","","","","has coordinates","281237","2023-03-02","08:20:40",""
"8106948","14.6518","0.0008","9.6738","0.0005","11.1907","0.0006","90","","121.182","0.008","90","","1357","0.17","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H18 Br4 Cu F2 N2 O2 -","- C28 H18 Br4 Cu F2 N2 O2 -","- C56 H36 Br8 Cu2 F4 N4 O4 -","2","0.5","","Lu, Qiong; Lei, KeWei","Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2 N,O) copper(II), C28H18Br4F2N2O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","591","592","10.1515/ncrs-2015-0200","","","","","","0.0863","0.0723","","","0.1796","0.1966","","","","","","1.057","","","","has coordinates","288219","2023-12-11","21:40:11",""
"8107207","28.914","0.005","7.9349","0.0014","13.062","0.002","90","","114.867","0.003","90","","2719","0.8","296.15","","296.15","","","","","","","","","6","C 1 2 1","C 2y","5","","(N-acetyl-5-bromo-4-chloro-3-indoxyl)-2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside","","- C24 H26 Br Cl N O11.5 -","- C24 H26 Br Cl N O11.5 -","- C96 H104 Br4 Cl4 N4 O46 -","4","1","","Liu, Yucong; Wang, Pingqiao; Ding, Haixin","Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","755","757","10.1515/ncrs-2022-0132","","","0.71073","MoKα","","0.0552","0.034","","","0.0738","0.0804","","","","","","0.995","","","","has coordinates","283772","2023-05-15","08:48:44",""
"8107536","19.1993","0.001","7.144","0.0004","18.3726","0.001","90","","105.841","0.002","90","","2424.3","0.2","273","2","273","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-((3<i>R</i>,10<i>S</i>,13<i>S</i>,17<i>S</i>)-3- ((2-methoxyphenyl)amino)-10,13-dimethylhexadecahydro- 1<i>H</i>-cyclopenta[<i>α</i>]phenanthren-17-yl)ethan -1-one","","- C28 H41 N O2 -","- C28 H41 N O2 -","- C112 H164 N4 O8 -","4","1","","Ye, Jiang-Hai; Chen, Ren-Song; Zhang, Wen-Wen; He, Kang; Zou, Juan","Synthesis and crystal structure of 1-((3R,10S,13S, 17S)-3-((2-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","705","707","10.1515/ncrs-2023-0161","","","0.71073","MoKα","","0.0762","0.0482","","","0.1108","0.1257","","","","","","1.032","","","","has coordinates","286505","2023-09-25","08:51:33",""
"9000118","5.33","","9.18","","17.12","","90","","97","","90","","831.427","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","Vermiculite","- C12 Mg3 N4 O12 Si4 -","- C12 Mg3 N4 O12 Si4 -","- C24 Mg6 N8 O24 Si8 -","2","0.5","","Haase, D. J.; Weiss, E. J.; Steinfink, H.","The crystal structure of a hexamethylene-diamine-vermiculite complex","American Mineralogist","1963","48","","261","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:16",""
"9000208","5.33","","9.18","","17.45","","90","","97","","90","","847.454","","","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","Vermiculite","- C12 H2 Al1.43 Fe0.48 Mg2.37 N2 O16 Si2.72 -","- C12 H2 Al1.43 Fe0.48 Mg2.37 N2 O16 Si2.72 -","- C24 H4 Al2.86 Fe0.96 Mg4.74 N4 O32 Si5.44 -","2","0.5","","Kanamaru, F.; Vand, V.","The crystal structure of a clay-organic complex of 6-amino hexanoic acid and vermiculite","American Mineralogist","1970","55","","1550","1561","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000458","10.516","","9.686","","11.833","","90","","109.67","","90","","1134.95","","","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","Joaquinite-(Ce)","- Ba2 Ce2 Fe1.04 H3 Na0.96 O28 Si8 Ti2 -","- Ba2 Ce2 Fe1.04 H3 Na0.96 O28 Si8 Ti2 -","- Ba4 Ce4 Fe2.08 H6 Na1.92 O56 Si16 Ti4 -","2","0.5","","Dowty, E.","Crystal structure of joaquinite","American Mineralogist","1975","60","","872","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000593","5.296","","9.14","","10.096","","90","","100.83","","90","","479.997","","","","","","","","","","","","","11","C 1 2 1","C 2y","5","","","Zinnwaldite","- Al1.908 F2 Fe0.93 K0.9 Li0.67 Mg0.01 Mn0.05 Na0.05 O10 Si3.092 Ti0.01 -","- Al1.908 F2 Fe0.93 K0.9 Li0.67 Mg0.01 Mn0.05 Na0.05 O10 Si3.092 Ti0.01 -","- Al3.816 F4 Fe1.86 K1.8 Li1.34 Mg0.02 Mn0.1 Na0.1 O20 Si6.184 Ti0.02 -","2","0.5","","Guggenheim, S.; Bailey, S. W.","The refinement of zinnwaldite-1M in subgroup symmetry Note: the sample is from the Sadisdorf Mine dump, East Germany","American Mineralogist","1977","62","","1158","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000835","5.242","","9.055","","10.097","","90","","100.77","","90","","470.825","","","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","Lepidolite-1M","- Al1.128 F H K Li2 O11 Si3.868 -","- Al1.128 F H K Li2 O11 Si3.868 -","- Al2.256 F2 H2 K2 Li4 O22 Si7.736 -","2","0.5","","Guggenheim, S.","Cation ordering in lepidolite Tanakamiyama","American Mineralogist","1981","66","","1221","1232","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9000847","21.707","","6.098","","11.245","","90","","100.3","","90","","1464.51","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","Campigliaite","- Cu4 H14 Mn O18 S2 -","- Cu4 H14 Mn O18 S2 -","- Cu16 H56 Mn4 O72 S8 -","4","1","","Sabelli, C.","Campigliaite, Cu4Mn(SO4)2(OH)6.4H2O, a new mineral from Campiglia Marittima, Tuscany, Italy II. Crystal structure","American Mineralogist","1982","67","","388","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001169","5.483","","9.39","","14.51","","90","","97.04","","90","","741.421","","","","","","","","","","","","","9","C 1 2 1","C 2y","5","","","Franklinfurnaceite","- Al0.25 Ca2 Fe0.75 H8 Mg0.65 Mn3.05 O18 Si2 Zn2.3 -","- Al0.25 Ca2 Fe0.75 H8 Mg0.65 Mn3.05 O18 Si2 Zn2.3 -","- Al0.5 Ca4 Fe1.5 H16 Mg1.3 Mn6.1 O36 Si4 Zn4.6 -","2","0.5","","Peacor, D. R.; Rouse, R. C.; Bailey, S. W.","Crystal structure of franklinfurnaceite: A tri-dioctahedral zincosilicate intermediate between chlorite and mica","American Mineralogist","1988","73","","876","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001565","14.6","","7.759","","5.142","","90","","93.25","","90","","581.556","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","Taikanite","- Ba Mn2 O14 Si4 Sr2 -","- Ba Mn2 O14 Si4 Sr2 -","- Ba2 Mn4 O28 Si8 Sr4 -","2","0.5","","Armbruster, T.; Oberhansli, R.; Kunz, M.","Taikanite, BaSr2Mn2O2[Si4O12], from the Wessels mine, South Africa: A chain silicate related to synthetic Ca3Mn2O2[Si4O12]","American Mineralogist","1993","78","","1088","1095","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9002411","5.262","","9.085","","10.099","","90","","100.72","","90","","474.36","","","","","","","","","","","","","11","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.504 F1.746 Fe0.455 H0.142 K0.906 Li1.423 Mn0.038 Na0.005 O10.254 Rb0.051 Si3.536 -","- Al1.504 F1.746 Fe0.455 H0.142 K0.906 Li1.423 Mn0.038 Na0.005 O10.254 Rb0.051 Si3.536 -","- Al3.008 F3.492 Fe0.91 H0.284 K1.812 Li2.846 Mn0.076 Na0.01 O20.508 Rb0.102 Si7.072 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 114","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002412","5.27","","9.092","","10.08","","90","","100.7","","90","","474.584","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.7 F1.626 Fe0.589 H0.206 K0.94 Li1.129 Mg0.007 Mn0.038 Na0.002 O10.374 Rb0.006 Si3.412 -","- Al1.7 F1.626 Fe0.589 H0.206 K0.94 Li1.129 Mg0.007 Mn0.038 Na0.002 O10.374 Rb0.006 Si3.412 -","- Al3.4 F3.252 Fe1.178 H0.412 K1.88 Li2.258 Mg0.014 Mn0.076 Na0.004 O20.748 Rb0.012 Si6.824 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 55a","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002413","5.263","","9.085","","10.078","","90","","100.75","","90","","473.416","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.649 F1.534 Fe0.608 H0.24 K0.956 Li1.222 Mg0.005 Mn0.045 Na0.011 O10.466 Rb0.023 Si3.412 -","- Al1.649 F1.534 Fe0.608 H0.24 K0.956 Li1.222 Mg0.005 Mn0.045 Na0.011 O10.466 Rb0.023 Si3.412 -","- Al3.298 F3.068 Fe1.216 H0.48 K1.912 Li2.444 Mg0.01 Mn0.09 Na0.022 O20.932 Rb0.046 Si6.824 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 55b","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002414","5.29","","9.128","","10.093","","90","","100.8","","90","","478.729","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.705 Ca0.006 F1.552 Fe0.795 H0.186 K0.968 Li1.08 Mg0.022 Mn0.062 Na0.016 O10.448 Si3.296 -","- Al1.705 Ca0.006 F1.552 Fe0.795 H0.186 K0.968 Li1.08 Mg0.022 Mn0.062 Na0.016 O10.448 Si3.296 -","- Al3.41 Ca0.012 F3.104 Fe1.59 H0.372 K1.936 Li2.16 Mg0.044 Mn0.124 Na0.032 O20.896 Si6.592 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) sample: 130(1)","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002415","5.275","","9.105","","10.084","","90","","100.7","","90","","475.902","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.69 Ca0.006 F1.544 Fe0.484 H0.186 K0.964 Li1.093 Mg0.022 Mn0.062 Na0.016 O10.456 Si3.328 -","- Al1.69 Ca0.006 F1.544 Fe0.484 H0.186 K0.964 Li1.093 Mg0.022 Mn0.062 Na0.016 O10.456 Si3.328 -","- Al3.38 Ca0.012 F3.088 Fe0.968 H0.372 K1.928 Li2.186 Mg0.044 Mn0.124 Na0.032 O20.912 Si6.656 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) sample: 130(2)","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002416","5.279","","9.114","","10.077","","90","","100.79","","90","","476.261","","","","","","","","","","","","","11","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.84 F1.738 Fe0.748 H0.244 K0.944 Li0.973 Mg0.011 Mn0.073 Na0.023 O10.262 Si3.208 -","- Al1.84 F1.738 Fe0.748 H0.244 K0.944 Li0.973 Mg0.011 Mn0.073 Na0.023 O10.262 Si3.208 -","- Al3.68 F3.476 Fe1.496 H0.488 K1.888 Li1.946 Mg0.022 Mn0.146 Na0.046 O20.524 Si6.416 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 137","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002417","5.285","","9.122","","10.101","","90","","100.85","","90","","478.262","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.732 Ca0.001 F1.606 Fe0.788 H0.244 K0.96 Li0.963 Mg0.009 Mn0.01 Na0.02 O10.394 Si3.304 -","- Al1.732 Ca0.001 F1.606 Fe0.788 H0.244 K0.96 Li0.963 Mg0.009 Mn0.01 Na0.02 O10.394 Si3.304 -","- Al3.464 Ca0.002 F3.212 Fe1.576 H0.488 K1.92 Li1.926 Mg0.018 Mn0.02 Na0.04 O20.788 Si6.608 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 104","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002418","5.283","","9.123","","10.072","","90","","100.76","","90","","476.903","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.72 F1.654 Fe0.731 H0.244 K0.94 Li0.591 Mg0.008 Mn0.063 Na0.02 O10.346 Rb0.004 Si3.308 -","- Al1.72 F1.654 Fe0.731 H0.244 K0.94 Li0.591 Mg0.008 Mn0.063 Na0.02 O10.346 Rb0.004 Si3.308 -","- Al3.44 F3.308 Fe1.462 H0.488 K1.88 Li1.182 Mg0.016 Mn0.126 Na0.04 O20.692 Rb0.008 Si6.616 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 54b","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002419","5.288","","9.133","","10.088","","90","","100.81","","90","","478.557","","","","","","","","","","","","","13","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.645 F1.92 Fe0.887 H0.08 K0.942 Li0.862 Mg0.009 Mn0.064 Na0.04 O10.08 Rb0.003 Si3.228 Ti0.01 -","- Al1.645 F1.92 Fe0.887 H0.08 K0.942 Li0.862 Mg0.009 Mn0.064 Na0.04 O10.08 Rb0.003 Si3.228 Ti0.01 -","- Al3.29 F3.84 Fe1.774 H0.16 K1.884 Li1.724 Mg0.018 Mn0.128 Na0.08 O20.16 Rb0.006 Si6.456 Ti0.02 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 177","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002420","5.283","","9.118","","10.092","","90","","100.78","","90","","477.557","","","","","","","","","","","","","11","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.838 F1.622 Fe0.868 H0.248 K0.958 Li0.853 Mg0.051 Mn0.058 Na0.014 O10.378 Si3.176 -","- Al1.838 F1.622 Fe0.868 H0.248 K0.958 Li0.853 Mg0.051 Mn0.058 Na0.014 O10.378 Si3.176 -","- Al3.676 F3.244 Fe1.736 H0.496 K1.916 Li1.706 Mg0.102 Mn0.116 Na0.028 O20.756 Si6.352 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) sample: 140(1)","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002421","5.297","","9.146","","10.102","","90","","100.81","","90","","480.72","","","","","","","","","","","","","11","C 1 2 1","C 2y","5","","","Siderophyllite","- Al1.743 F1.64 Fe0.879 H0.248 K0.954 Li0.849 Mg0.047 Mn0.06 Na0.014 O10.36 Si3.236 -","- Al1.743 F1.64 Fe0.879 H0.248 K0.954 Li0.849 Mg0.047 Mn0.06 Na0.014 O10.36 Si3.236 -","- Al3.486 F3.28 Fe1.758 H0.496 K1.908 Li1.698 Mg0.094 Mn0.12 Na0.028 O20.72 Si6.472 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) sample: 140(2)","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002422","5.295","","9.139","","10.077","","90","","100.83","","90","","478.951","","","","","","","","","","","","","11","C 1 2 1","C 2y","5","","","Siderophyllite","- Al1.795 F1.59 Fe0.828 H0.174 K0.82 Li0.764 Mn0.078 Na0.034 O10.41 Rb0.092 Si3.312 -","- Al1.795 F1.59 Fe0.828 H0.174 K0.82 Li0.764 Mn0.078 Na0.034 O10.41 Rb0.092 Si3.312 -","- Al3.59 F3.18 Fe1.656 H0.348 K1.64 Li1.528 Mn0.156 Na0.068 O20.82 Rb0.184 Si6.624 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 24","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002423","5.339","","9.233","","10.135","","90","","100.73","","90","","490.869","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Siderophyllite","- Al1.753 F1.08 Fe1.48 H0.284 K0.986 Li0.416 Mg0.054 Mn0.078 Na0.014 O10.92 Si3.056 Ti0.108 -","- Al1.753 F1.08 Fe1.48 H0.284 K0.986 Li0.416 Mg0.054 Mn0.078 Na0.014 O10.92 Si3.056 Ti0.108 -","- Al3.506 F2.16 Fe2.96 H0.568 K1.972 Li0.832 Mg0.108 Mn0.156 Na0.028 O21.84 Si6.112 Ti0.216 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 47","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002424","5.3","","9.144","","10.089","","90","","100.74","","90","","480.38","","","","","","","","","","","","","12","C 1 2 1","C 2y","5","","","Siderophyllite","- Al1.678 F1.294 Fe1.314 H0.154 K0.985 Li0.621 Mg0.022 Mn0.051 Na0.036 O10.706 Rb0.002 Si3.224 -","- Al1.678 F1.294 Fe1.314 H0.154 K0.985 Li0.621 Mg0.022 Mn0.051 Na0.036 O10.706 Rb0.002 Si3.224 -","- Al3.356 F2.588 Fe2.628 H0.308 K1.97 Li1.242 Mg0.044 Mn0.102 Na0.072 O21.412 Rb0.004 Si6.448 -","2","0.5","","Brigatti, M. F.; Lugli, C.; Poppi, L.; Foord, E. E.; Kile, D. E.","Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 103","American Mineralogist","2000","85","","1275","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9004208","6.852","","8.659","","4.686","","90","","101.69","","90","","272.26","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","Gittinsite","- Ca O7 Si2 Zr -","- Ca O7 Si2 Zr -","- Ca2 O14 Si4 Zr2 -","2","0.5","","Roelofsen-Ahl J N; Peterson, R. C.","Gittinsite: A modification of the thortveitite structure","The Canadian Mineralogist","1989","27","","703","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004550","21.234","","12.958","","44.911","","90","","90","","90","","12357.3","","","","","","","","","","","","","13","C 1 2 1","C 2y","5","","","Bijvoetite-(Y)","- C16 H8 Ce0.152 Dy0.782 Er0.226 Eu0.188 Gd0.678 Nd0.767 O135 Sm0.678 Tb0.112 U16 Y4.22 -","- C16 H86 Ce0.152 Dy0.782 Er0.226 Eu0.188 Gd0.678 Nd0.767 O135 Sm0.678 Tb0.112 U16 Y4.22 -","- C64 H344 Ce0.608 Dy3.128 Er0.904 Eu0.752 Gd2.712 Nd3.068 O540 Sm2.712 Tb0.448 U64 Y16.88 -","4","1","","Li, Y.; Burns, P. C.; Gault, R. A.","A new rare-earth-element uranyl carbonate sheet in the structure of bijvoetite-(Y)","The Canadian Mineralogist","2000","38","","153","162","10.2113/gscanmin.38.1.153","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9004613","10.2571","","8.0487","","6.4043","","90","","127.86","","90","","417.428","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B5 H2 O11 Sr2 -","- B5 H2 O11 Sr2 -","- B10 H4 O22 Sr4 -","2","0.5","","Barbier, J.; Park, H.","Sr2B5O9OH.H2O, a synthetic borate related to hilgardite","The Canadian Mineralogist","2001","39","","129","135","10.2113/gscanmin.39.1.129","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004754","8.7524","","13.9197","","17.6972","","90","","104.178","","90","","2090.39","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","Zippeite","- H7 K2.71 O23 S2 U4 -","- H7 K2.71 O23 S2 U4 -","- H28 K10.84 O92 S8 U16 -","4","1","","Burns, P. C.; Deely, K. M.; Hayden, L. A.","The crystal chemistry of the zippeite group","The Canadian Mineralogist","2003","41","","687","706","10.2113/gscanmin.41.3.687","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9005531","5.327","","9.225","","10.236","","90","","99.99","","90","","495.386","","","","","","","","","","","","Mt. Vulture, Italy","12","C 1 2 1","C 2y","5","","","Phlogopite","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.76 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.7022 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al2.86 Ba0.04 F0.48 Fe1.2 H3.4044 K1.78 Mg4.26 Mn0.02 Na0.12 O23.52 Si5.16 Ti0.26 -","2","0.5","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC7G - C2","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9006294","6.9979","","8.2122","","6.5106","","90","","114.93","","90","","339.289","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 11","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006295","6.8513","","7.3761","","6.7085","","90","","101.918","","90","","331.712","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 12","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006296","6.6211","","7.9963","","5.4115","","90","","100.228","","90","","281.955","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 13","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9009432","14.04","","14.16","","7.81","","90","","109.55","","90","","1463.17","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","Armstrongite","- Ca H4 O17 Si6 Zr -","- Ca H4 O17 Si6 Zr -","- Ca4 H16 O68 Si24 Zr4 -","4","1","","Kashaev, A. A.; Sapozhnikov, A. N.","Crystal structure of armstrongite","Kristallografiya","1978","23","","956","961","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009508","12.824","","4.406","","13.193","","90","","98.567","","90","","737.121","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","Miargyrite","- Ag S2 Sb -","- Ag S2 Sb -","- Ag8 S16 Sb8 -","8","2","","Smith, J. V.; Pluth, J. J.; Han, S.","Crystal structure refinement of miargyrite, AgSbS2","Mineralogical Magazine","1997","61","","671","675","10.1180/minmag.1997.061.408.05","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009816","18.376","","9.587","","10.575","","90","","90.12","","90","","1863","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Br Hg3 I Te2 -","- Br Hg3 I Te2 -","- Br8 Hg24 I8 Te16 -","8","2","","Minets, Y. V.; Voroshilov, Y. V.; Pan'ko, V. V.","The structures of mercury chalcogenhalogenides Hg3X2Hal2","Journal of Alloys and Compounds","2004","367","","109","114","10.1016/j.jallcom.2003.08.020","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010294","5.264","","9.086","","10.099","","90","","100.719","","90","","474.594","","","","","","","","","","","","Hirukawa mine, Ena county, Gifu prefecture, Chibu region, Japan","11","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.56 F1.88 Fe0.38 H0.12 K0.95 Li1.44 Mg0.01 Mn0.17 Na0.05 O10.12 Si3.44 -","- Al1.56 F1.88 Fe0.38 H0.12 K0.95 Li1.44 Mg0.01 Mn0.17 Na0.05 O10.12 Si3.44 -","- Al3.12 F3.76 Fe0.76 H0.24 K1.9 Li2.88 Mg0.02 Mn0.34 Na0.1 O20.24 Si6.88 -","2","0.5","","Brigatti, M. F.; Mottana, A.; Malferrari, D.; Cibin, G.","Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas Sample: Hirukawa","American Mineralogist","2007","92","","1395","1400","10.2138/am.2007.2497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010295","5.297","","9.133","","10.168","","90","","100.78","","90","","483.222","","","","","","","","","","","","Mokrusha mine, Yuzhakova village, Murzinka region, Russia","12","C 1 2 1","C 2y","5","","","Polylithionite","- Al1.68 Ca0.01 F1.9 Fe0.36 H0.1 K0.94 Li1.32 Mg0.16 Mn0.16 Na0.04 O10.1 Si3.32 -","- Al1.68 Ca0.01 F1.9 Fe0.36 H0.1 K0.94 Li1.32 Mg0.16 Mn0.16 Na0.04 O10.1 Si3.32 -","- Al3.36 Ca0.02 F3.8 Fe0.72 H0.2 K1.88 Li2.64 Mg0.32 Mn0.32 Na0.08 O20.2 Si6.64 -","2","0.5","","Brigatti, M. F.; Mottana, A.; Malferrari, D.; Cibin, G.","Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas Sample: Mokrusha","American Mineralogist","2007","92","","1395","1400","10.2138/am.2007.2497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010296","5.2984","","9.1461","","10.0966","","90","","100.818","","90","","480.583","","","","","","","","","","","","Sawtooth Mountains, Boise county, Idaho, USA","13","C 1 2 1","C 2y","5","","","Masutomilite","- Al1.79 F1.88 Fe0.46 H0.12 K0.92 Li1.06 Mg0.03 Mn0.52 Na0.05 O10.12 Rb0.02 Si3.12 Ti0.02 -","- Al1.79 F1.88 Fe0.46 H0.12 K0.92 Li1.06 Mg0.03 Mn0.52 Na0.05 O10.12 Rb0.02 Si3.12 Ti0.02 -","- Al3.58 F3.76 Fe0.92 H0.24 K1.84 Li2.12 Mg0.06 Mn1.04 Na0.1 O20.24 Rb0.04 Si6.24 Ti0.04 -","2","0.5","","Brigatti, M. F.; Mottana, A.; Malferrari, D.; Cibin, G.","Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas Sample: Boise","American Mineralogist","2007","92","","1395","1400","10.2138/am.2007.2497","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010846","10.723","","13.826","","20.791","","90","","95","","90","","3070.67","","","","","","","","","","","","massif Darai-Pioz, Tajikistan","14","C 1 2 1","C 2y","5","","","Surkhobite","- Ba1.275 Ca0.8 F2.745 Fe3.91 H2 K0.65 Mn4.09 Na1.15 Nb0.285 O35.255 Si8 Sr0.05 Ti3.585 Zr0.05 -","- Ba1.275 Ca0.8 F2.7448 Fe3.91 H2 K0.65 Mn4.09 Na1.15 Nb0.285 O35.2552 Si8 Sr0.05 Ti3.585 Zr0.05 -","- Ba5.1 Ca3.2 F10.9792 Fe15.64 H8 K2.6 Mn16.36 Na4.6 Nb1.14 O141.021 Si32 Sr0.2 Ti14.34 Zr0.2 -","4","1","","Rastsvetaeva, R. K.; Eskova, E. M.; Dusmatov, V. D.; Chukanov, N. V.; Schneider, F.","Surkhobite: revalidation and redefinition with the new formula, (Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6","European Journal of Mineralogy","2008","20","","289","295","10.1127/0935-1221/2008/0020-1791","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9011826","33.256","","8.482","","14.191","","90","","104.145","","90","","3881.59","","","","","","","","","","","","Johanngeorgenstadt, Saxony, Germany","5","C 1 2 1","C 2y","5","","","Petewilliamsite","- As10 Co4.5 Cu0.8 Ni4.7 O35 -","- As60 Co27 Cu4.8 Ni28.2 O210 -","- As60 Co27 Cu4.8 Ni28.2 O210 -","","","","Roberts, A. C.; Burns, P. C.; Gault, R. A.; Criddle, A. J.; Feinglos, M. N.","Petewilliamsite, (Ni,Co)30(As2O7)15, a new mineral from Johanngeorgenstadt, Saxony, Germany: description and crystal structure","Mineralogical Magazine","2004","68","","231","240","10.1180/0026461046820183","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9011840","10.48","","10.2","","7.33","","90","","92.5","","90","","782.802","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","Lovozerite","- H0.5 Na2.5 O18.5 Si6 Zr -","- H0.5 Na2.5 O18.5 Si6 Zr -","- H Na5 O37 Si12 Zr2 -","2","0.5","","Ilyukhin, V. V.; Belov, N. V.","Derivation of the structure of lovozerite from sections of the three-dimensional Patterson function","Soviet Physics Crystallography","1960","5","","186","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011885","53.83","","9.972","","6.907","","90","","96.78","","90","","3681.7","","","","","","","","","","","","Synthetic","4","C 1 2 1","C 2y","5","","","Revdite","- H82 Na16 O81 Si16 -","- H82 Na16 O81 Si16 -","- H164 Na32 O162 Si32 -","2","0.5","","Rastsvetaeva, R. K.; Mikheeva, M. G.; Yamnova, N. A.; Pushcharovskii D Yu; Khomyakov, A. P.","Crystal structure of revdite Na16[Si4O6(OH)5]2[Si8O15(OH)6](OH)10*28H2O Note: changed Si6(z) sign and OH11(y) value to match reported bond distances","Soviet Physics Crystallography","1992","37","","632","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012100","5.262","","9.102","","10.094","","90","","100.83","","90","","474.839","","","","","","","","","","","","Tanakamiyama, Ohtsu, Japan","11","C 1 2 1","C 2y","5","","","Masutomilite","- Al1.64 F1.46 Fe0.12 H0.54 K0.861 Li1.27 Mn0.5 Na0.072 O10.54 Rb0.067 Si3.34 -","- Al1.64 F1.46 Fe0.12 H0.54 K0.861 Li1.27 Mn0.5 Na0.072 O10.54 Rb0.067 Si3.34 -","- Al3.28 F2.92 Fe0.24 H1.08 K1.722 Li2.54 Mn Na0.144 O21.08 Rb0.134 Si6.68 -","2","0.5","","Mizota, T.; Kato, T.; Harada, K.","The crystal structure of masutomilite, Mn analogue of zinnwaldite","Mineralogical Journal","1986","13","","13","21","10.2465/minerj.13.13","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012283","12.761","","7.358","","24.565","","90","","100.17","","90","","2270.3","","","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Ca7.676 Nd0.324 O28 Ta7.705 Zr0.295 -","- Ca30.704 Nd1.296 O112 Ta30.82 Zr1.18 -","- Ca30.704 Nd1.296 O112 Ta30.82 Zr1.18 -","","","","Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L.","Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 295 K, 4M weberite-type structure","Journal of Solid State Chemistry","2003","174","","285","295","10.1016/S0022-4596(03)00222-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012632","10.731","","13.841","","20.845","","90","","95.06","","90","","3084","","","","","","","","","","","","Sea of Azov, Mariupol massif, Ukraine","13","C 1 2 1","C 2y","5","","","Perraultite","- Ba2.5 Ca F4 Fe6.1 H8 K1.2 Mn9.4 Na3 Nb0.32 O72 Si16 Ti7.68 Zr0.3 -","- Ba2.5 Ca F4 Fe6.1 H8 K1.2 Mn9.4 Na3 Nb0.32 O72 Si16 Ti7.68 Zr0.3 -","- Ba5 Ca2 F8 Fe12.2 H16 K2.4 Mn18.8 Na6 Nb0.64 O144 Si32 Ti15.36 Zr0.6 -","2","0.5","","Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.","Crystal structure of perraultite from the coastal region of the Sea of Azov","Crystallography Reports","1998","43","","401","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012657","10.723","","13.826","","20.791","","90","","95","","90","","3070.67","","","","","","","","","","","","Darai-Piez alkali massif, central Tajikistan","13","C 1 2 1","C 2y","5","","","Surkhobite","- Ba3.3 Ca2.4 F8 Fe8 H4 K0.7 Mn7.4 Na2.2 Nb0.8 O68 Si16 Ti6.4 Zr0.8 -","- Ba3.3 Ca2.4 F8 Fe8 H4 K0.7 Mn7.4 Na2.2 Nb0.8 O68 Si16 Ti6.4 Zr0.8 -","- Ba6.6 Ca4.8 F16 Fe16 H8 K1.4 Mn14.8 Na4.4 Nb1.6 O136 Si32 Ti12.8 Zr1.6 -","2","0.5","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Verin, I. A.","Crystal structure of surkhobite - new mineral from the family of titanosilicate micas","Crystallography Reports","2003","48","","384","389","10.1134/1.1578119","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9013439","12.089","","6.903","","6.3537","","90","","90.089","","90","","530.218","","","","","","","","","","","","Synthetic","5","C 1 2 1","C 2y","5","","","Omongwaite","- Ca2.572 H4 Na0.856 O13.42 S3 -","- Ca2.572 H2.84 Na0.856 O13.42 S3 -","- Ca5.144 H5.68 Na1.712 O26.84 S6 -","2","0.5","","Freyer, D.; Reck, G.; Bremer, M.; Voigt, W.","Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: subcell","Monatshefte fur Chemie","1999","130","","1179","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013440","24.1781","","13.805","","12.7074","","90","","90.089","","90","","4241.45","","","","","","","","","","","","Synthetic","5","C 1 2 1","C 2y","5","","","Omongwaite","- Ca2.572 H4 Na0.858 O13.442 S3 -","- Ca2.572 H2.885 Na0.85775 O13.4425 S3 -","- Ca41.152 H46.16 Na13.724 O215.08 S48 -","16","4","","Freyer, D.; Reck, G.; Bremer, M.; Voigt, W.","Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: supercell","Monatshefte fur Chemie","1999","130","","1179","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9013616","26.0388","","15.0651","","15.5361","","90","","90.48","","90","","6094.24","","","","","","","","","","","","Chanarcillo, Chile","5","C 1 2 1","C 2y","5","","","Fettelite","- Ag16 As3.596 Hg S15 Sb0.403 -","- Ag128 As28.772 Hg8 S120 Sb3.228 -","- Ag128 As28.772 Hg8 S120 Sb3.228 -","","","","Bindi, L.; Keutsch, F. N.; Francis, C. A.; Menchetti, S.","Fettelite, [Ag6As2S7][Ag10HgAs2S8] from Chanarcillo, Chile: Crystal structure, pseudosymmetry, twinning, and revised chemical formula","American Mineralogist","2009","94","","609","615","10.2138/am.2009.3096","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013732","5.1973","","8.999","","10.147","","90","","99","","90","","468.737","","","","","","","","","","","","Athabasca basement; Saskatchewan, Canada","5","C 1 2 1","C 2y","5","","","Illite","- Al2 H2 K O12 Si4 -","- Al2 H2 K O12 Si4 -","- Al4 H4 K2 O24 Si8 -","2","0.5","","Drits, V. A.; Zviagina, B. B.; McCarty, D. K.; Salyn, A. L.","Factors responsible for crystal-chemical variations in the solid solutions from illite to aluminoceladonite and from glauconite to celadonite Sample Name: 10564","American Mineralogist","2010","95","","348","361","10.2138/am.2010.3300","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014003","16.119","","6.928","","6.73","","90","","100.46","","90","","739.066","","","","","","","","","","","","Qinghai Province, China","5","C 1 2 1","C 2y","5","","","Qilianshanite","- C H8 B Na O8 -","- C H8 B Na O8 -","- C4 H32 B4 Na4 O32 -","4","1","","Wang, L.; Zhou, K.; Shi, J.","Refinement of the qilianshanite structure","Geological Review","1994","40","","347","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014222","12.119","","6.908","","7.928","","90","","92.84","","90","","662.902","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Co F6 Np O3 -","- Co4 F24 Np4 O12 -","- Co4 F24 Np4 O12 -","","","","Abazli, H.; Cousson, A.; Jove, J.; Pages, M.; Gasperin, M.","Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude structurale, mesur des susceptibilites magnetiques et resonance Moessbauer (237 Np) _cod_database_code 1001329","Journal of the Less-Common Metals","1984","96","","23","33","10.1016/0022-5088(84)90176-0","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014547","5.223","","9.047","","10.197","","90","","100.43","","90","","473.872","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","Celadonite","- Fe1.22 H2 K Mg0.78 O12 Si4 -","- Fe2.44 H4 K2 Mg1.56 O24 Si8 -","- Fe2.44 H4 K2 Mg1.56 O24 Si8 -","","","","Tsipurskij, S. I.; Drits, V. A.","Refining the crystallographic structure of celadonite","Mineralogiceskij Zhurnal","1986","8","","32","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014752","16.232","0.006","9.373","0.002","14.06","0.003","90","","97.36","0.04","90","","2121.5","1","293","2","293","2","","","","","","","Harstigen, Filipstad, Sweden","6","C 1 2 1","C 2y","5","","","molybdophyllite","- C3 H10 Mg9 O48 Pb8 Si10 -","- C3 H10 Mg9 O48 Pb8 Si10 -","- C6 H20 Mg18 O96 Pb16 Si20 -","2","0.5","","Kolitsch, U.; Merlino, S.; Holtstam, D.","Molybdophyllite: crystal chemistry, crystal structure, OD character and modular relationships with britvinite","Mineralogical Magazine","2012","76","3","493","516","10.1180/minmag.2012.076.3.04","","","0.71073","MoKα","","0.1018","0.096","","","0.2542","0.2678","","","","","","1.063","","","","has coordinates,has Fobs","201816","2020-10-21","18:00:00",""
"9015499","14.018","","14.133","","7.84","","90","","109.4","","90","","1465.04","","","","","","","","","","","","granite pegmatites and alkaline granites in Mongolia","8","C 1 2 1","C 2y","5","","","Armstrongite","- Ca0.91 H6 Na0.09 O18 Si6 Ti0.01 Y0.03 Zr0.96 -","- Ca0.91 H6 Na0.09 O18 Si6 Ti0.01 Y0.03 Zr0.96 -","- Ca3.64 H24 Na0.36 O72 Si24 Ti0.04 Y0.12 Zr3.84 -","4","1","","Kabalov, Y. K.; Zubkova, N. V.; Pushcharovsky, D. Y.; Schneider, J.; Sapozhnikov, A. N.","Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O","Zeitschrift fur Kristallographie","2000","215","","757","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015730","26.011","","15.048","","15.513","","90","","90.4","","90","","6071.85","","","","","","","","","","","","Odenwald, southwest Germany","5","C 1 2 1","C 2y","5","","","Fettelite","- Ag16 As4 Fe0.526 Hg0.474 S15 -","- Ag128 As32 Fe4.208 Hg3.792 S120 -","- Ag128 As32 Fe4.208 Hg3.792 S120 -","","","","Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S.","A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124","Mineralogical Magazine","2012","76","","551","566","10.1180/minmag.2012.076.3.07","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016372","5.205","","9.033","","32.077","","90","","93.49","","90","","1505.36","","","","","","","","","","","","Southern Shaanxi, China","9","C 1 2 1","C 2y","5","","","Hanjiangite","- C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 -","- C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 -","- C8 H8 Al6.8 Ba8 Ca4 F2.64 O72 Si11.92 V5.292 -","4","1","","Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X.","Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables.","American Mineralogist","2012","97","","281","290","10.2138/am.2012.3781","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016616","26.03","","15.059","","15.524","","90","","90.45","","90","","6085","","","","","","","","","","","","Odenwald, southwest Germany","5","C 1 2 1","C 2y","5","","","Fettelite","- Ag16 As4 Cu0.213 Hg0.786 S15 -","- Ag128 As32 Cu1.708 Hg6.292 S120 -","- Ag128 As32 Cu1.708 Hg6.292 S120 -","","","","Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S.","A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R110042","Mineralogical Magazine","2012","76","","551","566","10.1180/minmag.2012.076.3.07","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017353","9.036","","6.1683","","11.9601","","90","","91.433","","90","","666.409","","","","","","","","","","","","Wessels mine, Northern Cape Province, South Africa","9","C 1 2 1","C 2y","5","","","Ruizite","- Al0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06 -","- Al0.1 Ca3.8 Fe0.14 H16 Mg0.08 Mn3.76 O34 Si8 Sr0.12 -","- Al0.1 Ca3.8 Fe0.14 H16 Mg0.08 Mn3.76 O34 Si8 Sr0.12 -","","","","Fendrich, K. V.; Downs, R. T.; Origlieri, M. J.","Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O","Acta Crystallographica, Section E","2016","72","","959","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017407","11.9991","","6.9254","","6.3766","","90","","90","","90","","529.886","","","","","","","","","","","","Synthetic","4","C 1 2 1","C 2y","5","","","Bassanite","- Ca3 H3.6 O13.8 S3 -","- Ca3 H3.6 O13.8 S3 -","- Ca6 H7.2 O27.6 S6 -","2","0.5","","Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A.","Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.6H2O","Comptes Rendus de l'Academie des Sciences Paris","1991","312","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017414","12.245","","7.197","","9.305","","90","","115.16","","90","","742.224","","","","","","","","","","","","theoretical","3","C 1 2 1","C 2y","5","","","Vaterite","- C Ca O3 -","- C12 Ca12 O36 -","- C12 Ca12 O36 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:44",""
"9017513","14.576","","13.409","","9.728","","90","","96.95","","90","","1887.36","","","","","","","","","","","","Synthetic","4","C 1 2 1","C 2y","5","","","","- Al2 As3 Na3 O12 -","- Al16 As24 Na24 O96 -","- Al16 As24 Na24 O96 -","","","","Masquelier, C.; d'Yvoire F; Collin, G.","Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3","Journal of Solid State Chemistry","1995","118","","33","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""
"9017878","9.1575","","6.2857","","12.0431","","90","","91.744","","90","","692.895","","","","","","","","","","","","N'Chwaning III mine, Kalahari manganese field, South Africa","7","C 1 2 1","C 2y","5","","","Strontioruizite","- Ca0.41 Fe0.05 H8 Mn1.95 O17 Si4 Sr1.59 -","- Ca0.82 Fe0.1 H16 Mn3.9 O34 Si8 Sr3.18 -","- Ca0.82 Fe0.1 H16 Mn3.9 O34 Si8 Sr3.18 -","","","","Yang, H.; Gu, X.; Cairncross, B.; Downs, R. T.; Evans, S. H.","Taniajacoite and strontioruizite, two new minerals isostructural with ruizite from the N'Chwaning III mine, Kalahari manganese field, South Africa","The Canadian Mineralogist","2021","59","","431","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""