# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T21:11:39+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 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
"1000459","5.7747","0.0014","8.4689","0.0011","9.923","0.003","64.77","0.02","82.75","0.02","81.43","0.02","433","","","","","","","","","","","","","5","P 1","P 1","1","","Tetracalcium dialuminium dodecahydroxide carbonate pentahydrate","","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","1","1","","Francois, M; Renaudin, G; Evrard, O","A cementitious compound with composition 3CaO . Al2O3 . CaCO3 . 11H2O","Acta Crystallographica C (39,1983-)","1998","54","","1214","1217","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001844","8.455","0.008","8.858","0.009","8.396","0.01","113.83","","116.64","","58.03","","465.2","","","","","","","","","","","","","4","P 1","P 1","1","","Trineptunium(IV) fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2 Np3 O -","- F24 H4 Np6 O2 -","2","2","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O","Acta Crystallographica C (39,1983-)","1983","39","","425","427","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004039","10.513","0.009","10.838","0.007","10.965","0.011","99.21","0.03","135.48","0.03","97.15","0.03","811.7","","","","","","","","","","","","","5","P 1","P 1","1","","Potassium tetrakis(chlorosulfato)borate","","- B Cl4 K O12 S4 -","- B Cl4 K O12 S4 -","- B2 Cl8 K2 O24 S8 -","2","2","","Mairesse, G; Drache, M","The crystal structure of potassium tetrachlorosulfatoborate, K (B (S O~3~ Cl)~4~)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1771","1776","10.1107/S0567740878006676","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007093","7.241","0.005","13.314","0.008","7.241","0.005","90.35","0.05","107.5","0.05","90.28","0.05","665.7","","","","","","","","","","","","","5","P 1","P 1","1","","Cerium diammonium catena-phosphate","","- Ce H8 N2 O15 P5 -","- Ce H8 N2 O15 P5 -","- Ce2 H16 N4 O30 P10 -","2","2","","Rzaigui, M; Ariguib, K; Averbuch-Pouchot, M T; Durif, A","Crystal Structure of Cerium(III) Diammonium Polyphosphate (N H~4~)~2~ Ce (P O3)5","Journal of Solid State Chemistry","1983","50","","240","246","10.1016/0022-4596(83)90193-7","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007133","9.227","0.005","8.89","0.005","7.219","0.004","110.12","0.05","102.68","0.05","82.13","0.05","541.2","","","","","","","","","","","","","3","P 1","P 1","1","","Cerium phyllo-14-oxopentaphosphate","","- Ce O14 P5 -","- Ce O14 P5 -","- Ce2 O28 P10 -","2","2","","Rzaigui, M; Kbir Ariguib, N; Averbuch-Pouchot, M T; Durif, A","Crystal Structure of Triclinic Ce P~5~ O~14~: A New Type of Ultraphosphate","Journal of Solid State Chemistry","1984","52","","61","65","10.1016/0022-4596(84)90198-1","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007208","9.7","0.007","9.749","0.008","6.543","0.005","107.23","0.06","106.37","0.06","75.88","0.06","558.3","","","","","","","","","","","","","5","P 1","P 1","1","","Potassium cyclo-hexaphosphate nitrate hydrate","","- H2 K7 N O22 P6 -","- H2 K7 N O22 P6 -","- H2 K7 N O22 P6 -","1","1","","Averbuch-Pouchot, M T; Durif, A","Structural characterization of a series of cyclohexaphosphate nitrates: M~6~P~6~O~18~.MNO~3~.H~2~O. (M=K, NH~4~ and Rb)","European Journal of Solid State Inorganic Chemistry","1992","29","","1161","1172","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010563","3.475","0.001","3.475","0.001","8.51","","90","","90","","120","","89","","","","","","","","","","","","","2","P 1","P 1","1","","Aluminium chloride","","- Al Cl3 -","- Al Cl3 -","- Al Cl3 -","1","1","","Laschkarew, W E","Zur Struktur Al Cl~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1930","193","","270","276","10.1002/zaac.19301930123","","","0.71","","","","","","","","","","","","","","","","","","has coordinates","202104","2020-10-21","18:00:00",""
"1100201","9.018","0.0006","9.6771","0.0008","9.974","0.0007","71.564","0.005","62.985","0.005","62.938","0.005","683.92","","","","213","","","","","","","","","5","P 1","P 1","1","","(R,R)-p-Chlorophenyl-1-chloro-2-phenylethyl sulfoxide","","- C14 H12 Cl2 O S -","- C14 H12 Cl2 O S -","- C28 H24 Cl4 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","4.37","","","4.37","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00",""
"1100202","9.1121","0.0008","9.7596","0.0007","9.9764","0.0011","84.681","0.008","62.893","0.006","63.397","0.006","699.198","","","","213","","","","","","","","","6","P 1","P 1","1","","(-)-(R,R)-p-Chlorophenyl-1-bromo-2-phenylethyl sulfoxide","","- C14 H12 Br Cl O S -","- C14 H12 Br Cl O S -","- C28 H24 Br2 Cl2 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","5.23","","","5.23","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00",""
"1100269","9.3553","0.0008","15.9882","0.0015","19.585","0.002","103.119","0.012","90.298","0.012","102.334","0.01","2782.6","0.5","193","2","193","2","","","","","","","","4","P 1","P 1","1","","1,3,5-tris(4-Methyl-5-(3-(4-butylphenyl)ureido)pent-2-yl)-perhydro-1,3,5-triazin-2,4,6-trione hemihydrate","","- C54 H82 N9 O6.5 -","- C54 H81 N9 O6.5 -","- C108 H162 N18 O13 -","2","2","","Hoffmann, Reinhard W.; Hettche, Frank; Harms, Klaus","Energies and selectivities for anion binding as a function of host conformational preorganisation","Chemical Communications (Cambridge, United Kingdom)","2002","","7","782","783","10.1039/B200605G","","","0.71073","MoKα","","0.2217","0.0575","","","0.0686","0.1017","","","","","","0.666","","","","has coordinates","177465","2020-10-21","18:00:00",""
"1100342","10.938","0.001","13.923","0.001","14.477","0.002","101.16","0.01","109.52","0.01","104.29","0.01","1919.53","","","","","","","","","","","","","5","P 1","","1","","","","- C39 H52 B N O9 -","","","2","2","","Reetz, Manfred T.; Niemeyer, Christof M.; Harms, Klaus","Heterotopic Host Molecules for Binding Two Different Guests","Angewandte Chemie, International Edition in English","1991","30","11","1474","1476","10.1002/anie.199114741","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100404","11.05","0.005","11.561","0.005","19.302","0.009","96.94","0.03","93","0.03","115.58","0.02","2192.74","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C26 H27 Li O2 -","- C13 H13.5 Li0.5 O -","- C52 H54 Li2 O4 -","4","4","","Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery","Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures","Liebigs Annalen","1995","1995","3","457","460","10.1002/jlac.199519950361","","","","","","","","","","","","","","","","","","","","","has coordinates","177966","2020-10-21","18:00:00",""
"1100503","8.766","0.001","9.673","0.001","12.647","0.001","81.71","0.01","82.07","0.01","78.91","0.01","1034.63","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","2","","Kossenjans, Michael; Soeberdt, Michael; Wallbaum, Sabine; Harms, Klaus; Martens, Jürgen; Aurich, Hans Günter","Utilization of industrial waste materials. Part 14. Synthesis of β-amino alcohols and thiols with a 2-azabicyclo[3.3.0]octane backbone and their application in enantioselective catalysis","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1999","","16","2353","2365","10.1039/a902362c","","","","","","","","","","","","","","","","","","","","","has coordinates","177431","2020-10-21","18:00:00",""
"1100594","7.796","0.002","12.429","0.003","14.599","0.006","98.94","0.03","94.67","0.03","93.15","0.02","1389.48","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C36 H33 B V3 -","- C36 H33 B V3 -","- C72 H66 B2 V6 -","2","2","","Elschenbroich, Christoph; Wolf, Matthias; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","The Mono-, Di-, and Tri([5]trovacenyl)boranes: A Study of Intermetallic Communication Across an sp^2^-Hybridized Boron Atom","European Journal of Inorganic Chemistry","1999","1999","12","2173","2185","10.1002/(sici)1099-0682(199912)1999:12<2173::aid-ejic2173>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","177587","2020-10-21","18:00:00",""
"1100692","6.985","0.002","9.045","0.002","10.256","0.003","111.87","0.02","104.25","0.02","102","0.02","549.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","hexapotassium dibismuth diphosphate","","- Bi2 K6 O21 P6 -","- Bi2 K6 O21 P6 -","- Bi2 K6 O21 P6 -","1","1","","Falah, Chiraz; Boughzala, Habib; Jouini, Tahar","Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~","Analytical Sciences: X-ray Structure Analysis Online","2004","20","","x17","x18","10.2116/analscix.20.x17","","","0.71073","MoKα","","0.077","0.0732","","","0.1715","0.1753","","","","","","1.053","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100982","10.1173","0.0006","10.4874","0.0006","12.6206","0.0006","67.012","0.005","73.738","0.005","88.769","0.005","1177.57","0.13","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H58 Co F6 N2 O2 Pd -","- C52 H58 Co F6 N2 O2 Pd -","- C52 H58 Co F6 N2 O2 Pd -","1","1","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0308","0.03","","","0.0736","0.0742","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1101105","7.152","0.001","8.83","0.001","13.783","0.001","82.024","0.001","86.155","0.001","70.9","0.001","814.3","0.2","293","","","","","","","","","","","5","P 1","P 1","1","","","","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","1","1","","Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure","X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate","Journal of Chemical Crystallography","1999","29","","1009","1013","10.1023/A:1009568616134","","","","","","","0.0309","","","0.0808","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101134","11.076","0.001","11.045","0.002","24.728","0.002","91.19","0.01","94.5","0.01","108.67","0.01","2853.7","0.6","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C15 H31.75 Cl0.88 K0.88 N3 O8.38 Pd3 S3 -","- C15 H27 Cl0.875 K0.875 N3 O8.375 Pd3 S3 -","- C60 H108 Cl3.5 K3.5 N12 O33.5 Pd12 S12 -","4","4","","G. Cervantes; V. Moreno; E. Molins; Miguel Quirós","Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II)","Polyhedron","1998","17","","3343","3350","10.1016/S0277-5387(98)00114-4","","","","","","","0.0585","","","0.1454","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1501804","8.583","0.002","9.549","0.003","11.107","0.003","73.568","0.004","69.697","0.003","67.017","0.004","774.5","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H23.5 O5 -","- C15 H23.5 O5 -","- C30 H47 O10 -","2","2","","Li, Guohong; Liu, Fangfang; Shen, Lan; Zhu, Huajie; Zhang, Keqin","Stereumins H-J, stereumane-type sesquiterpenes from the fungus Stereum sp.","Journal of natural products","2011","74","2","296","299","10.1021/np100813f","","","0.71073","MoKα","","0.2028","0.0875","","","0.1952","0.2622","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501831","6.7903","0.0006","7.0914","0.0005","14.7228","0.0013","78.885","0.007","81.171","0.007","63.15","0.008","618.86","0.1","110","2","110","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C30 H46 O3 -","1","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0849","0.0631","","","0.1479","0.1561","","","","","","0.921","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501866","8.351","0.005","10.444","0.005","13.019","0.009","105.335","0.003","97.845","0.005","105.307","0.005","1029.9","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O2 S -","- C24 H22 O2 S -","- C48 H44 O4 S2 -","2","2","","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","","0.1102","0.0764","","","0.1767","0.2089","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501923","14.2979","0.0002","14.5398","0.0002","15.7308","0.0003","71.49","0.001","87.882","0.001","65.423","0.001","2802.94","0.08","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","1","1","","Hennecke, Ulrich; Müller, Christian H; Fröhlich, Roland","Enantioselective haloetherification by asymmetric opening of meso-halonium ions.","Organic letters","2011","13","5","860","863","10.1021/ol1028805","","","0.71073","MoKα","","0.085","0.0721","","","0.1633","0.1767","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501963","8.3429","0.0002","8.7613","0.0003","9.7629","0.0003","96.9997","0.0019","101.396","0.0018","96.5153","0.0014","687.36","0.04","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","1","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0255","0.0242","","0.0558","0.0546","0.0558","","","","","","1.0144","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501997","13.5779","0.0005","13.641","0.0005","15.0542","0.0006","65.339","0.002","65.488","0.002","64.504","0.002","2191.1","0.15","90","0.1","90","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H28 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","4","","de Silva, E. Dilip; Williams, David E.; Jayanetti, Dinith R.; Centko, Ryan M.; Patrick, Brian O.; Wijesundera, Ravi L. C.; Andersen, Raymond J.","Dhilirolides A-D, meroterpenoids produced in culture by the fruit-infecting fungus Penicillium purpurogenum collected in Sri Lanka.","Organic letters","2011","13","5","1174","1177","10.1021/ol200031t","","","1.54178","CuKα","","0.042","0.0402","","","0.1047","0.1083","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502069","7.2192","0.0005","11.2843","0.0008","17.5962","0.0016","104.861","0.004","91.043","0.004","106.942","0.003","1318.66","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H27 N O4 S -","- C16 H27 N O4 S -","- C48 H81 N3 O12 S3 -","3","3","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0338","0.0294","","","0.073","0.0762","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502158","9.8593","0.0005","11.3699","0.0006","11.6474","0.0006","67.803","0.004","76.579","0.004","89.515","0.004","1171.33","0.11","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 N2 O3 S2 -","- C24 H24 N2 O3 S2 -","- C48 H48 N4 O6 S4 -","2","2","","Chen, Wen-Bing; Wu, Zhi-Jun; Hu, Jing; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic direct asymmetric aldol reactions of 3-isothiocyanato oxindoles to ketones: stereocontrolled synthesis of spirooxindoles bearing highly congested contiguous tetrasubstituted stereocenters.","Organic letters","2011","13","9","2472","2475","10.1021/ol200724q","","","1.54184","CuKα","","0.0468","0.0443","","","0.1231","0.1272","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502210","15.09","0.004","15.095","0.007","15.132","0.004","96.611","0.004","116.223","0.003","108.05","0.004","2808.6","1.7","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H84 O8 -","- C56 H84 O8 -","- C112 H168 O16 -","2","2","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A.; Chen, Xueyi; Dias, Jerry Ray","Bile Acid-Based Cage Compounds with Lipophilic Outer Shells and Inner Cavities","Organic Letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.0889","0.0756","","","0.2006","0.2132","","","","","","1.042","","","","has coordinates","210336","2020-10-21","18:00:00",""
"1502284","9.9605","0.0002","11.4468","0.0003","13.0628","0.0003","111.413","0.002","100.86","0.0019","101.302","0.002","1303.38","0.06","100.3","","100.3","","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Br Cl3 N2 O2 -","- C27 H26 Br Cl3 N2 O2 -","- C54 H52 Br2 Cl6 N4 O4 -","2","2","","Jensen, Kim L.; Dickmeiss, Gustav; Donslund, Bjarke S.; Poulsen, Pernille H.; Jørgensen, Karl Anker","Asymmetric organocatalytic synthesis of complex cyclopenta[b]quinoline derivatives.","Organic letters","2011","13","14","3678","3681","10.1021/ol201328s","","x-ray","0.7107","MoKα","Kα","0.0362","0.0324","","","0.0793","0.0827","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502295","7.4783","0.0006","11.5713","0.0008","13.3812","0.0009","107.895","0.006","90.072","0.006","93.959","0.006","1098.97","0.14","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N2 O6.5 -","- C24 H31 N2 O6.5 -","- C48 H62 N4 O13 -","2","2","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, Two New Dimeric Indolizidine Alkaloids from Flueggea virosa","Organic Letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0492","0.0441","","","0.1078","0.1172","","","","","","1.045","","","","has coordinates","210337","2020-10-21","18:00:00",""
"1502401","7.1374","0.0003","10.4915","0.0005","23.5245","0.0012","96.57","0.003","91.75","0.003","108.864","0.002","1651.72","0.14","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O7 -","- C38 H41 N3 O7 -","- C76 H82 N6 O14 -","2","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.0581","0.0504","","","0.13","0.1375","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502447","5.8722","0.0013","9.695","0.002","9.999","0.002","109.909","0.002","93.647","0.002","97.854","0.002","526.49","0.19","173","2","173","2","","","","","","","","5","P 1","P 1","1","11121z","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C23 H28 N O3 P -","1","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.0679","0.0506","","","0.0926","0.1001","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502505","7.7053","0.0004","13.2135","0.0007","13.4615","0.0008","76.246","0.002","84.746","0.002","79.465","0.002","1307.17","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H26 Br2 N4 O3 -","- C28 H26 Br2 N4 O3 -","- C56 H52 Br4 N8 O6 -","2","2","","Wanner, Benedikt; Mahatthananchai, Jessada; Bode, Jeffrey W.","Enantioselective synthesis of dihydropyridinones via NHC-catalyzed aza-Claisen reaction.","Organic letters","2011","13","19","5378","5381","10.1021/ol202272t","","","0.71073","MoKα","","0.031","0.0255","","","0.0485","0.0498","","","","","","0.981","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502565","8.185","0.002","9.222","0.002","10.247","0.002","69.237","0.008","80.106","0.008","84.347","0.009","711.9","0.3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","1","1","","Zhou, Si-Li; Li, Jun-Long; Dong, Lin; Chen, Ying-Chun","Organocatalytic sequential hetero-Diels-Alder and Friedel-Crafts reaction: constructions of fused heterocycles with scaffold diversity.","Organic letters","2011","13","21","5874","5877","10.1021/ol202492x","","","0.71073","MoKα","","0.0464","0.04","","","0.0814","0.0837","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502593","8.327","0.002","11.225","0.003","16.443","0.005","108.255","0.005","96.36","0.005","91.162","0.003","1448.1","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","4","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0629","0.0574","","","0.1133","0.1176","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502718","15.419","0.004","15.464","0.005","15.612","0.004","102.72","0.014","102.012","0.012","104.309","0.015","3380.1","1.7","200","1","200","1","","","","","","","","3","P 1","P 1","1","","","","- C98.7 H140 O96.95 -","- C98.69 H140 O96.96 -","- C98.69 H140 O96.96 -","1","1","","Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria","Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes.","The journal of physical chemistry. B","2010","114","35","11489","11495","10.1021/jp105808j","","","0.71073","MoKα","","0.1466","0.0849","","","0.1986","0.2506","","","","","","1.051","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502819","6.7943","0.0002","6.0697","0.0002","8.6532","0.0003","90.358","0.002","104.185","0.001","90.069","0.001","345.964","0.019","123","2","123","2","","","","","","","","3","P 1","P 1","1","Compound 4a","","","- C15 H22 O3 -","- C15 H22 O3 -","- C15 H22 O3 -","1","1","","Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda","Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus.","Journal of natural products","2010","73","3","388","392","10.1021/np900371j","","","1.54178","CuKα","","0.0391","0.0384","","","0.1033","0.1042","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502950","10.5785","0.0015","12.5308","0.0017","20.433","0.004","97.683","0.011","97.63","0.011","111.007","0.007","2457.6","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C85 H112 Cl3 F12 N5 O21 P2 -","- C85 H112 Cl3 F12 N5 O21 P2 -","- C85 H112 Cl3 F12 N5 O21 P2 -","1","1","","Su, Yong-Sheng; Chen, Chuan-Feng","Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.","Organic letters","2010","12","8","1888","1891","10.1021/ol100589u","","","0.71073","MoKα","","0.1061","0.0885","","","0.2157","0.2293","","","","","","1.242","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503104","5.3565","0.0001","7.6392","0.0002","10.099","0.0002","76.068","0.001","85.27","0.001","86.338","0.001","399.308","0.015","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C19 H20 O4 -","1","1","","Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes","Organic Letters","2010","12","16","3610","3613","10.1021/ol101319f","","","0.71073","MoKα","","0.0322","0.0295","","","0.074","0.0757","","","","","","1.06","","","","has coordinates","218634","2020-10-21","18:00:00",""
"1503122","11.2535","0.0009","11.6895","0.0009","19.1693","0.0015","86.46","0.001","80.779","0.001","87.428","0.001","2482.8","0.3","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","H2N-{L-Leu-L-Leu-[(S,S)-Ac5c(dOM)]}4-OMe","","- C84 H151 N13 O22 -","- C84 H151 N13 O22 -","- C84 H151 N13 O22 -","1","1","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.0885","0.0793","","","0.2193","0.2311","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503156","12.3092","0.0019","12.3128","0.0019","12.973","0.002","90.061","0.002","102.664","0.002","98.557","0.002","1895.9","0.5","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C43 H44 Cl2 N4 Ni O4 -","- C43 H44 Cl2 N4 Ni O4 -","- C86 H88 Cl4 N8 Ni2 O8 -","2","2","","Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.","Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.","Organic letters","2010","12","18","4002","4005","10.1021/ol101583v","","","0.71073","MoKα","","0.0465","0.0441","","","0.1056","0.1088","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503196","6.5748","0.0007","8.8652","0.001","10.7627","0.0012","69.163","0.001","82.406","0.001","82.35","0.001","578.64","0.11","173","","173","","","","","","","","","3","P 1","P 1","1","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C26 H24 O8 -","1","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0422","0.0355","","","0.0949","0.1","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503261","8.428","0.005","8.919","0.005","9.803","0.005","93.261","0.005","100.551","0.005","95.576","0.005","718.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H34 Cl4 N O P Pd -","- C26 H34 Cl4 N O P Pd -","- C26 H34 Cl4 N O P Pd -","1","1","","Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.","Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.","Organic letters","2010","12","20","4667","4669","10.1021/ol1020652","","","0.71069","MoKα","","0.0224","0.0208","","","0.0457","0.0463","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503271","10.006","0.003","11.099","0.003","11.923","0.003","80.594","0.006","85.493","0.007","89.428","0.007","1302.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 Cl4 N3 O2 -","- C26 H22 Cl4 N3 O2 -","- C52 H44 Cl8 N6 O4 -","2","2","","Tetlow, Daniel J.; Hennecke, Ulrich; Raftery, James; Waring, Michael J.; Clarke, David S.; Clayden, Jonathan","Sequential double α-arylation of N-allylureas by asymmetric deprotonation and N→C aryl migration.","Organic letters","2010","12","23","5442","5445","10.1021/ol102155h","","","0.71073","MoKα","","0.0993","0.0805","","","0.1775","0.1873","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503313","8.089","0.003","9.221","0.004","9.805","0.004","70.49","0.03","68.96","0.02","73.73","0.03","632.6","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H16 N2 O4 S2 -","- C8 H16 N2 O4 S2 -","- C16 H32 N4 O8 S4 -","2","2","","Wang, Yazhou; Hu, Xichao; Du, Haifeng","Vicinal-diamine-based chiral chain dienes as ligands for rhodium(I)-catalyzed highly enantioselective conjugated additions.","Organic letters","2010","12","23","5482","5485","10.1021/ol1023536","","","0.71073","MoKα","","0.1031","0.0882","","","0.2442","0.2712","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503416","13.474","0.003","13.507","0.003","14.013","0.003","103.97","0.03","99.34","0.03","118.61","0.03","2053.8","1.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Dibenzo-24-crown-8-Based Cryptand/Paraquat [2]Catenane","","- C77 H81 F24 N9 O12 P4 -","- C77 H81 F24 N9 O12 P4 -","- C77 H81 F24 N9 O12 P4 -","1","1","","Liu, Ming; Li, Shijun; Hu, Menglong; Wang, Feng; Huang, Feihe","Selectivity algorithm for the formation of two cryptand/paraquat catenanes.","Organic letters","2010","12","4","760","763","10.1021/ol9028463","","","0.71073","MoKα","","0.109","0.0689","","","0.1095","0.1228","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503456","11.6351","0.0009","16.2914","0.0012","20.4165","0.0013","75.588","0.006","87.355","0.006","77.305","0.007","3656.4","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","1","1","","Gibson, Harry W.; Wang, Hong; Niu, Zhenbin; Slebodnick, Carla; Zhakharov, Lev N.; Rheingold, Arnold L.","Rotaxanes from Tetralactams","Macromolecules","2012","45","3","1270","","10.1021/ma202373x","","x-ray","1.54178","CuKα","","0.1877","0.1011","","","0.2651","0.3075","","","","","","0.828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503465","7.7085","0.0015","9.851","0.002","10.445","0.002","80.9","0.03","69.55","0.03","67.39","0.03","685.8","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","wentilactone B","","","- C16 H18 O5 -","- C16 H18 O5 -","- C32 H36 O10 -","2","2","","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","","0.0787","0.0731","","","0.2007","0.2101","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503483","7.2402","0.0013","11.587","0.002","13.95","0.004","89.683","0.008","78.116","0.009","74.635","0.013","1102.8","0.4","100","","100","","","","","","","","LOC ETH Zurich","3","P 1","P 1","1","","","","- C55 H46 N10 -","- C55 H46 N10 -","- C55 H46 N10 -","1","1","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.2572","0.138","","","0.2811","0.3595","","","","","","1.267","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503600","7.9894","0.0002","11.0136","0.0002","14.6649","0.0003","90.994","0.001","105.668","0.001","103.389","0.001","1204.27","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H23 I N2 O8 -","- C23 H23 I N2 O8 -","- C46 H46 I2 N4 O16 -","2","2","","Shan, Mingde; Kishi, Yoshito","Concise and highly stereoselective synthesis of the C20-C26 building block of halichondrins and Eribulin","Organic Letters","2012","14","2","660","663","10.1021/ol203373d","","","0.71073","MoKα","","0.0489","0.036","","","0.0479","0.0505","","","","","","1.062","","","","has coordinates","218607","2020-10-21","18:00:00",""
"1503631","5.7819","0.0011","9.6587","0.0018","13.317","0.003","79.109","0.003","82.475","0.003","86.782","0.003","723.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","1","1","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0394","0.0387","","","0.1023","0.1033","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503636","5.8138","0.0015","9.773","0.003","15.314","0.004","84.585","0.004","88.44","0.005","79.196","0.005","850.8","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0751","0.0592","","","0.1334","0.1546","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503677","8.163","0.004","8.22","0.005","11.652","0.008","100.21","0.11","101.26","0.09","91.22","0.07","753.4","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N O6 -","- C17 H17 N O6 -","- C34 H34 N2 O12 -","2","2","","Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías","Pancratium canariense as an important source of amaryllidaceae alkaloids.","Journal of natural products","2009","72","1","112","116","10.1021/np800459d","","","0.71073","MoKα","","0.0928","0.0707","","","0.1592","0.1753","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503685","6.778","0.0012","7.8277","0.0014","16.835","0.003","81.293","0.002","87.547","0.002","72.743","0.002","843.2","0.3","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H54 N2 O6 -","- C36 H54 N2 O6 -","- C36 H54 N2 O6 -","1","1","","Yan, Yu-Xin; Hu, Xiao-Dong; Chen, Jian-Chao; Sun, Yun; Zhang, Xian-Min; Qing, Chen; Qiu, Ming-Hua","Cytotoxic triterpenoid alkaloids from Buxus microphylla.","Journal of natural products","2009","72","2","308","311","10.1021/np800719h","","","0.71073","MoKα","","0.0973","0.0553","","","0.1158","0.1382","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503692","7.3556","0.0002","7.4296","0.0002","14.2899","0.0004","81.762","0.001","82.937","0.001","65.002","0.001","698.77","0.03","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H46 O5 -","- C31 H46 O5 -","- C31 H46 O5 -","1","1","","Nuanyai, Thanesuan; Sappapan, Reungrit; Teerawatananond, Thapong; Muangsin, Nongnuj; Pudhom, Khanitha","Cytotoxic 3,4-seco-cycloartane triterpenes from Gardenia sootepensis.","Journal of natural products","2009","72","6","1161","1164","10.1021/np900156k","","","0.71073","MoKα","","0.0506","0.0454","","","0.1219","0.1288","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503694","6.943","0.0008","7.2493","0.0008","15.2539","0.0017","81.411","0.002","80.394","0.002","61.762","0.002","664.71","0.13","294","2","294","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C30 H48 O4 -","1","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","","0.0429","0.0387","","","0.1161","0.1224","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503784","12.936","0.001","13.306","0.002","15.561","0.001","98.33","0.01","96.83","0.01","89.96","0.01","2631","0.5","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C56.25 H50.5 Cl1.5 N5 O19.5 -","- C56.25 H50.5 Cl1.5 N5 O19.5 -","- C112.5 H101 Cl3 N10 O39 -","2","2","","Legouin, Béatrice; Uriac, Philippe; Tomasi, Sophie; Toupet, Loïc; Bondon, Arnaud; van de Weghe, Pierre","Novel chiral molecular tweezer from (+)-usnic acid","Organic letters","2009","11","3","745","748","10.1021/ol802842m","","","0.71073","MoKα","","0.0781","0.059","","","0.161","0.1756","","","","","","0.855","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503793","8.5417","0.0002","10.2807","0.0002","12.64","0.0003","102.85","0.001","90.091","0.001","91.488","0.001","1081.78","0.04","90","2","90","2","","","","","","","","4","P 1","P 1","1","7,6-spirolactam","(1<i>R</i>,6<i>R</i>)-1-Methyl-8-azaspiro[5.6]dodecan-7-one","","- C12 H21 N O -","- C12 H21 N O -","- C48 H84 N4 O4 -","4","4","DN2350","Guéret, Stéphanie M; O'Connor, Patrick D; Brimble, Margaret A.","Synthesis of enantiopure bicyclic alpha,alpha-disubstituted spirolactams via asymmetric Birch reductive alkylation.","Organic letters","2009","11","4","963","966","10.1021/ol8029017","","","0.71073","MoKα","","0.0438","0.0396","","","0.1003","0.1038","","","","","","1.018","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1503799","13.96","0.01","14.59","0.02","15.59","0.02","115.43","0.04","94.94","0.04","96.77","0.04","2814","6","123","2","123","2","","","","","","","synthesis","4","P 1","P 1","1","Cbz-{(1S,3S)-Ac5cOM}6-OMe","","","- C54 H80 N6 O16 -","- C54 H80 N6 O16 -","- C108 H160 N12 O32 -","2","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.7107","MoKα","","0.0612","0.0529","","","0.1276","0.1328","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503802","9.995","0.016","17.515","0.003","20.382","0.003","71.492","0.003","87.501","0.003","89.647","0.004","3380","5","293","2","293","2","","","","","","","synthesis","4","P 1","P 1","1","Cbz-{(1R,3S)-Ac5cOM}8-OMe","","","- C65 H101 N8 O20.5 -","- C65 H101 N8 O20.5 -","- C130 H202 N16 O41 -","2","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71075","MoKα","","0.1192","0.08","","","0.199","0.2313","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504038","7.352","0.0015","7.365","0.0015","16.241","0.003","91.31","0.03","91.52","0.03","99.58","0.03","866.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","1-chloro-4-[(E)-2-iodoethenyl]benzene","","- C8 H6 Cl I -","- C8 H6 Cl I -","- C32 H24 Cl4 I4 -","4","4","","Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan","New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes.","Organic letters","2009","11","15","3390","3393","10.1021/ol901233j","","","0.71073","MoKα","","0.0548","0.0382","","","0.1143","0.1346","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504218","8.4452","0.0008","10.6647","0.0009","11.566","0.001","82.23","0.002","89.149","0.002","77.425","0.002","1007.26","0.15","296.1","","","","","","","","","","","3","P 1","P 1","1","","","","- C26 H21 O3 -","- C26 H21 O3 -","- C52 H42 O6 -","2","2","","Yoshida, Masahiro; Higuchi, Mariko; Shishido, Kozo","Stereoselective construction of substituted chromans by palladium-catalyzed cyclization of propargylic carbonates with 2-(2-hydroxyphenyl)acetates.","Organic letters","2009","11","20","4752","4755","10.1021/ol901964z","","","0.7107","MoKα","","","0.084","","","","0.191","","","","","","0.875","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504219","7.718","0.003","11.898","0.005","14.296","0.006","96.932","0.006","103.456","0.006","108.338","0.007","1184.9","0.8","100","0.5","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H33 N O3 Si -","- C26 H33 N O3 Si -","- C52 H66 N2 O6 Si2 -","2","2","","Tietze, Lutz F.; Tölle, Nina; Kratzert, Daniel; Stalke, Dietmar","Efficient formal total synthesis of the erythrina alkaloid (+)-erysotramidine, using a domino process.","Organic letters","2009","11","22","5230","5233","10.1021/ol901980u","","","0.71073","MoKα","","0.0373","0.0329","","","0.1008","0.104","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504515","13.1202","0.0013","16.6253","0.0016","17.5706","0.0017","78.601","0.002","81.694","0.002","89.735","0.002","3716.5","0.6","90","2","90","2","","","","","","","","4","P 1","P 1","1","","","","- C168 H191 N22 Zn2 -","- C168 H191 N22 Zn2 -","- C168 H191 N22 Zn2 -","1","1","","Maeda, Chihiro; Yamaguchi, Shigeru; Ikeda, Chusaku; Shinokubo, Hiroshi; Osuka, Atsuhiro","Dimeric assemblies from 1,2,3-triazole-appended Zn(II) porphyrins with control of NH-tautomerism in 1,2,3-triazole.","Organic letters","2008","10","4","549","552","10.1021/ol7028299","","","0.71073","MoKα","","0.0807","0.0575","","","0.158","0.1792","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504532","6.186","0.001","9.556","0.001","13.169","0.002","91.968","0.005","99.625","0.007","106.425","0.007","733.44","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H41 N O8 S -","- C27 H41 N O8 S -","- C27 H41 N O8 S -","1","1","","Hjelmgaard, Thomas; Faure, Sophie; Lemoine, Pascale; Viossat, Bernard; Aitken, David J.","Rapid assembly of the polyhydroxylated beta-amino acid constituents of microsclerodermins C, D, and E.","Organic letters","2008","10","5","841","844","10.1021/ol702962z","","","0.71073","MoKα","","0.0889","0.0522","","","0.1092","0.127","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504538","8.854","0.0002","10.1088","0.0003","11.9207","0.0003","105.763","0.002","90.439","0.002","95.36","0.002","1021.72","0.05","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C22 H28 N4 -","- C22 H28 N4 -","- C44 H56 N8 -","2","2","","Zhao, Baoguo; Du, Haifeng; Shi, Yian","Cu(I)-catalyzed cycloguanidination of olefins.","Organic letters","2008","10","6","1087","1090","10.1021/ol702974s","","","0.71073","MoKα","","0.1671","0.0542","","","0.0887","0.1195","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504587","5.731","0.0011","9.956","0.002","11.765","0.002","106.35","0.03","96.43","0.03","100.74","0.03","623.2","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","2","","Garrido, Narciso M.; García, Mercedes; Díez, David; Sánchez, M Rosa; Sanz, F.; Urones, Julio G.","Diastereoselective synthesis of delta-aminoacids through domino Ireland-Claisen rearrangement and Michael addition.","Organic letters","2008","10","9","1687","1690","10.1021/ol8001464","","","1.5418","CuKα","","0.0483","0.0441","","0.1256","0.1213","","","","1.027","1.074","1.074","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504597","11.593","0.002","11.938","0.002","14.843","0.003","103.82","0.03","93.69","0.03","108.25","0.03","1872.7","0.8","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H39 F3 N4 O7 S -","- C37 H39 F3 N4 O7 S -","- C74 H78 F6 N8 O14 S2 -","2","2","","Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng","Chiral induction in phenanthroline-derived oligoamide foldamers: an acid- and base-controllable switch in helical molecular strands.","Organic letters","2008","10","6","1275","1278","10.1021/ol8001688","","","0.71073","MoKα","","0.1726","0.0828","","","0.1642","0.1923","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504754","9.9856","0.0004","10.1967","0.0004","11.5731","0.0005","100.869","0.003","103.617","0.003","90.203","0.003","1123.29","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C27 H26 N O2 P -","- C27 H26 N O2 P -","- C54 H52 N2 O4 P2 -","2","2","","Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando","Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.","Organic letters","2008","10","15","3195","3198","10.1021/ol801027p","","x-ray","1.54184","CuKα","","0.0645","0.0494","","","0.1184","0.1243","","","","","","0.91","","","","has coordinates","287985","2023-12-04","13:26:38",""
"1504759","9.3998","0.0013","9.9414","0.0013","11.4269","0.0015","65.82","0.002","74.446","0.002","71.54","0.002","912.1","0.2","273","2","273","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 O2 P -","- C22 H19 O2 P -","- C44 H38 O4 P2 -","2","2","","Cullen, Steven C.; Rovis, Tomislav","Catalytic asymmetric stetter reaction onto vinylphosphine oxides and vinylphosphonates.","Organic letters","2008","10","14","3141","3144","10.1021/ol801047k","","","0.71073","MoKα","","0.0601","0.0533","","","0.1434","0.1537","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504791","6.3335","0.0006","7.2872","0.0007","20.5729","0.0018","91.2787","0.001","97.7238","0.0011","114.408","0.001","853.61","0.14","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","2","","Boukouvalas, John; Wang, Jian-Xin","Structure revision and synthesis of a novel labdane diterpenoid from Zingiber ottensii.","Organic letters","2008","10","16","3397","3399","10.1021/ol8011919","","","0.71073","MoKα","","0.0448","0.0348","","","0.0748","0.0798","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504817","9.1602","0.0001","9.9973","0.0002","12.4147","0.0002","79.119","0.001","81.756","0.001","72.924","0.001","1062.55","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","Bipleiophylline","","","- C49 H52 N4 O9 -","- C49 H52 N4 O9 -","- C49 H52 N4 O9 -","1","1","","Kam, Toh-Seok; Tan, Shin-Jowl; Ng, Seik-Weng; Komiyama, Kanki","Bipleiophylline, an unprecedented cytotoxic bisindole alkaloid constituted from the bridging of two indole moieties by an aromatic spacer unit.","Organic letters","2008","10","17","3749","3752","10.1021/ol801354s","","","0.71073","MoKα","","0.0694","0.0569","","","0.1569","0.1707","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504904","7.2898","0.0002","9.3886","0.0002","15.9051","0.0006","91.007","0.001","97.177","0.001","111.934","0.001","999.41","0.05","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N4 O8 -","- C18 H24 N4 O8 -","- C36 H48 N8 O16 -","2","2","","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","","0.0683","0.0476","","","0.102","0.113","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504906","10.8521","0.0004","11.1482","0.0004","21.2318","0.0007","82.573","0.002","86.637","0.002","82.618","0.002","2523.68","0.16","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H27 N5 O9 -","- C24 H27 N5 O9 -","- C96 H108 N20 O36 -","4","4","","Zhu, Di; Lu, Min; Chua, Pei Juan; Tan, Bin; Wang, Fei; Yang, Xinhao; Zhong, Guofu","A highly stereoselective organocatalytic tandem aminoxylation/aza-Michael reaction for the synthesis of tetrahydro-1,2-oxazines.","Organic letters","2008","10","20","4585","4588","10.1021/ol801864c","","","0.71073","MoKα","","0.1157","0.0574","","","0.1425","0.1874","","","","","","0.99","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505032","6.135","0.002","6.77","0.003","17.17","0.007","92.3","0.03","97.87","0.03","99.35","0.03","695.6","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","Steroid 1","Compound 1.","","- C30 H48 N2 O3 -","- C30 H48 N2 O3 -","- C30 H48 N2 O3 -","1","1","","Sauvaître, Thibault; Barlier, Mireille; Herlem, Denyse; Gresh, Nohad; Chiaroni, Angèle; Guenard, Daniel; Guillou, Catherine","New potent acetylcholinesterase inhibitors in the tetracyclic triterpene series.","Journal of medicinal chemistry","2007","50","22","5311","5323","10.1021/jm070536w","","","0.71073","MoKα","","0.057","0.0501","","","0.1343","0.1419","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505221","10.0874","0.0002","12.5229","0.0002","13.6632","0.0002","65.648","0.001","88.15","0.001","86.102","0.001","1568.77","0.05","200","2","200","2","","","","","","","Isolated from Streptomyces cyaneogriseus ssp. noncyanogenus (LL-F28249).","4","P 1","P 1","1","Wyeth CL-118,773 [ L-24525-179-8 ]","21-Hydroxyoligomycin A Bis(Chloroform) Tris(Methanol) Solvate","","- C50 H88 Cl6 O15 -","- C50 H88 Cl6 O15 -","- C50 H88 Cl6 O15 -","1","1","","Wagenaar, Melissa M.; Williamson, R. Thomas; Ho, Douglas M.; Carter, Guy T.","Structure and absolute stereochemistry of 21-hydroxyoligomycin A.","Journal of natural products","2007","70","3","367","371","10.1021/np060519u","","","0.71073","MoKα","","0.0807","0.0603","","0.1738","","0.1539","","","1.034","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505341","12.5522","0.0014","5.516","0.0005","15.9248","0.0019","89.816","0.009","87.074","0.01","89.234","0.008","1101.1","0.2","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C36 H72 N8 O12 -","4","4","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.1079","0.1028","","","0.2926","0.2992","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505512","5.7753","0.0005","14.7522","0.0014","16.0657","0.0015","116.528","0.001","91.539","0.002","94.751","0.002","1217.32","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H60 N2 O9 -","- C60 H60 N2 O9 -","- C60 H60 N2 O9 -","1","1","","Imai, Yoshitane; Murata, Katuzo; Kawaguchi, Kakuhiro; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","A solid-state fluorescence sensing system consisting of chiral (1R,2S)-2-amino-1,2-diphenylethanol and fluorescent 2-anthracenecarboxylic acid.","Organic letters","2007","9","17","3457","3460","10.1021/ol701513a","","","0.71073","MoKα","","0.0641","0.0575","","","0.1349","0.1402","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505617","6.8118","0.0001","9.889","0.0002","12.2513","0.0002","91.288","0.001","105.065","0.001","103.457","0.001","772","0.02","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C16 H14 Br2 S2 -","- C16 H14 Br2 S2 -","- C32 H28 Br4 S4 -","2","2","","Tanaka, Ken; Hori, Tomoko; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao","Rhodium-catalyzed reactions of dithiols and 1,4-bis(bromomethyl)benzenes leading to enantioenriched dithiaparacyclophanes.","Organic letters","2007","9","23","4881","4884","10.1021/ol702242x","","","1.54187","CuKα","","0.0446","0.0434","","","0.0991","0.1","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505674","4.95","0.001","5.1931","0.0009","33.2","0.007","91.997","0.01","92.826","0.011","90.042","0.013","851.9","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","2","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0856","0.0775","","","0.1973","0.2059","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505780","9.2428","0.0008","11.5764","0.001","11.4434","0.001","89.98","0.002","102.657","0.002","89.997","0.002","1194.67","0.18","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H28 Br2 N4 O2 Zn -","- C22 H28 Br2 N4 O2 Zn -","- C44 H56 Br4 N8 O4 Zn2 -","2","2","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0936","0.0581","","","0.1392","0.1602","","","","","","0.923","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505803","6.564","0.0002","15.654","0.0006","16.701","0.0006","94.618","0.0005","92.568","0.0005","100.754","0.0005","1677.32","0.1","100","","","","","","","","","","Local laboratory","4","P 1","P 1","1","","","","- C36 H38 N2 O10 -","- C36 H38 N2 O10 -","- C72 H76 N4 O20 -","2","2","","Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori","Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum.","Journal of natural products","2006","69","8","1198","1202","10.1021/np0602057","","","0.71073","MoKα","","0.1049","0.0869","","","0.2313","0.252","","","","","","1.027","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505916","6.1276","0.0003","12.1417","0.0006","15.6434","0.0008","109.99","0.002","95.395","0.002","95.643","0.002","1078.26","0.09","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C50 H48 Br2 N2 O6 -","2","2","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71073","MoKα","","0.0609","0.0539","","","0.137","0.143","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505955","8.793","0.001","10.789","0.001","16.09","0.001","109.16","0.01","90.96","0.01","112.66","0.01","1312.5","0.3","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","1","1","","Wünnemann, Stefan; Fröhlich, Roland; Hoppe, Dieter","3,3'-oxazolidinyl-substituted 2,2'-biphenyldiols: novel tropos ligands with a large induction on the chiral axis.","Organic letters","2006","8","12","2455","2458","10.1021/ol060528u","","","1.54178","CuKα","","0.0821","0.0689","","","0.1754","0.1903","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506098","8.9947","0.0008","10.8105","0.0012","13.9124","0.0015","81.632","0.01","73.88","0.009","67.096","0.007","1196.1","0.2","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C44 H72 O16 -","- C44 H72 O16 -","- C44 H72 O16 -","1","1","","Smith, 3rd, Amos B; Simov, Vladimir","Total synthesis of the marine natural product (-)-clavosolide A. A showcase for the Petasis-Ferrier union/rearrangement tactic.","Organic letters","2006","8","15","3315","3318","10.1021/ol0611752","","","0.71069","MoKα","","0.0601","0.0385","","","0.0751","0.0858","","","","","","0.838","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506107","9.6027","0.0014","10.0645","0.0016","11.093","0.0017","110.209","0.003","109.26","0.003","101.701","0.003","887","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","2","","Evans, David A.; Song, Hyun-Ji; Fandrick, Keith R.","Enantioselective nitrone cycloadditions of alpha,beta-unsaturated 2-acyl imidazoles catalyzed by bis(oxazolinyl)pyridine-cerium(IV) triflate complexes.","Organic letters","2006","8","15","3351","3354","10.1021/ol061223i","","x-ray","0.71073","MoKα","","0.0576","0.0492","","","0.1158","0.122","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506323","12.0986","0.0018","12.7138","0.0018","13.3209","0.0017","77.309","0.016","81.44","0.016","74.732","0.017","1919.4","0.5","123","","123","1","","","","","","","see text","6","P 1","P 1","1","","","","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","1","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.0919","0.0748","","","0.2015","0.2104","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506352","6.413","0.005","13.141","0.009","17.092","0.009","82.02","0.02","86.3","0.02","76.29","0.02","1385.1","1.6","263","2","263","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 N O6 P -","- C28 H38 N O6 P -","- C56 H76 N2 O12 P2 -","2","2","","Albert, Rainer; Hinterding, Klaus; Brinkmann, Volker; Guerini, Danilo; Müller-Hartwieg, Constanze; Knecht, Helmut; Simeon, Corinne; Streiff, Markus; Wagner, Trixie; Welzenbach, Karl; Zécri, Frédéric; Zollinger, Markus; Cooke, Nigel; Francotte, Eric","Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer.","Journal of medicinal chemistry","2005","48","16","5373","5377","10.1021/jm050242f","","","1.54178","CuKα","","0.1044","0.0781","","","0.1938","0.2142","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507002","6.1035","0.0003","8.9701","0.0005","9.7458","0.0005","117.015","0.001","93.643","0.001","94.915","0.001","470.44","0.04","170.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","1","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0293","","","","0.0335","","","","","","1.411","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507079","12.8996","0.0003","12.9357","0.0001","22.1831","0.0003","105.044","0.001","92.7318","0.0017","117.366","0.0013","3113.94","0.1","173","","173","","","","","","","","crystallized from diethyl ether/pentane","8","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-tert-butyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","- C62 H52 B F24 Ir N O2 P -","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0429","","","","0.0462","","","","","","1.0325","","","","has coordinates","189985","2020-10-21","18:00:00",""
"1507080","12.7425","0.0001","12.992","0.0001","23.0228","0.0002","87.9035","0.0005","74.6505","0.0005","61.9161","0.0005","3225.32","0.05","173","","173","","","","","","","","crystallized from dichloromethane/pentane","9","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-isopropyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","- C61.5 H50.5 B Cl1.5 F24 Ir N O2 P -","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0312","","","","0.0355","","","","","","1.0578","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507084","5.7296","0.0012","11.8879","0.0019","5.0674","0.0008","100.472","0.013","92.263","0.016","83.228","0.015","336.98","0.1","293","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C17 H16 N2 O -","1","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.0338","0.0312","","","0.0829","0.0887","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507221","8.592","0.01","8.845","0.01","11.192","0.01","109.64","0.05","90.56","0.05","103.92","0.05","773.7","1.5","293","2","100","5","","","","","","","","5","P 1","P 1","1","NAD+","beta-Nicotinamide Adenine Dinucleotide","","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","1","1","","Guillot, Benoît; Muzet, Nicolas; Artacho, Emilio; Lecomte, Claude; Jelsch, Christian","Experimental and Theoretical Electron Density Studies in Large Molecules: NAD+, β-Nicotinamide Adenine Dinucleotide","The Journal of Physical Chemistry B","2003","107","34","9109","","10.1021/jp034478b","","","0.7107","MoKα","","0.0127","0.0123","","","0.0126","0.0127","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507260","6.2563","0.0013","6.9299","0.0014","13.824","0.003","80.507","0.003","77.19","0.003","68.994","0.003","543.2","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","01348","","","- C25 H34 O3 -","- C25 H34 O3 -","- C25 H34 O3 -","1","1","","Demeke, Damtew; Forsyth, Craig J.","Total synthesis and stereochemistry of (-)-cacospongionolide F.","Organic letters","2003","5","7","991","994","10.1021/ol027438j","","","0.71073","MoKα","","0.0722","0.0547","","","0.1346","0.145","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507322","8.2496","0.0011","10.1013","0.0015","11.6656","0.0017","82.558","0.006","82.658","0.006","82.064","0.006","948.7","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C18 H28 O6 -","- C18 H28 O6 -","- C36 H56 O12 -","2","2","","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","","0.0693","0.047","","","0.0864","0.0947","","","","","","0.984","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507387","8.058","0.003","10.51","0.004","15.705","0.007","72.19","0.007","76.159","0.007","73.244","0.007","1195.8","0.8","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C56 H52 N4 O6 S2 -","2","2","","Jang, Doo Ok; Kim, Dwight D.; Pyun, Do Kyu; Beak, Peter","Synthesis of highly enantioenriched all-carbon quaternary centers: conjugate additions of chiral organolithium nucleophiles to alpha,alpha-dinitrile beta,beta-disubstituted olefins.","Organic letters","2003","5","22","4155","4157","10.1021/ol035601k","","","0.71073","MoKα","","0.0697","0.0515","","","0.1098","0.118","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507393","5.408","0.0011","8.242","0.002","13.494","0.003","96.4","0.03","97.35","0.03","104.99","0.03","569.6","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H24 O8 S2 -","- C21 H24 O8 S2 -","- C21 H24 O8 S2 -","1","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","","0.0913","0.0405","","0.0665","0.05","","","","0.769","0.955","0.955","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507487","13.844","0.001","13.846","0.001","18.7","0.002","71.71","0.01","71.68","0.01","60.87","0.01","2916","0.5","173.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C44 H36 Cl10 Fe2 N4 O S6 -","- C44 H32 Cl10 Fe2 N4 O S6 -","- C88 H64 Cl20 Fe4 N8 O2 S12 -","2","2","","Kozaki, M.; Yonezawa, Y.; Okada, K.","Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes.","Organic letters","2002","4","25","4535","4538","10.1021/ol027080r","","","0.7107","MoKα","","","0.088","","","","0.2452","","","","","","1.238","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507624","10.4778","0.0007","10.5926","0.0006","12.6565","0.0008","66.666","0.002","75.97","0.002","73.169","0.002","1221.46","0.13","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H24 Br N O3 S -","- C30 H24 Br N O3 S -","- C60 H48 Br2 N2 O6 S2 -","2","2","","Hao, Lin; Du, Yu; Lv, Hui; Chen, Xingkuan; Jiang, Huishen; Shao, Yaling; Chi, Yonggui Robin","Enantioselective Activation of Stable Carboxylate Esters as Enolate Equivalents via N-Heterocyclic Carbene Catalysts.","Organic letters","2012","14","8","2154","2157","10.1021/ol300676w","","","0.71073","MoKα","","0.0548","0.0387","","","0.0735","0.0776","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507712","8.3985","0.0011","11.9291","0.0015","15.318","0.002","101.135","0.002","94.64","0.002","90.106","0.002","1500.6","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O S2 -","- C16 H16 N2 O S2 -","- C64 H64 N8 O4 S8 -","4","4","","Schönherr, Heike; Leighton, James L.","Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.","Organic letters","2012","14","10","2610","2613","10.1021/ol300922b","","","0.71073","MoKα","","0.0751","0.0516","","","0.1048","0.1173","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507748","5.036","0.0002","10.9704","0.0005","11.4714","0.0005","89.596","0.002","84.698","0.002","86.513","0.002","629.88","0.05","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H28 Br N O6 -","- C27 H28 Br N O6 -","- C27 H28 Br N O6 -","1","1","","Yang, Limin; Wang, Fei; Chua, Pei Juan; Lv, Yunbo; Zhong, Liang-Jun; Zhong, Guofu","N-Heterocyclic Carbene (NHC)-Catalyzed Highly Diastereo- and Enantioselective Oxo-Diels-Alder Reactions for Synthesis of Fused Pyrano[2,3-b]indoles.","Organic letters","2012","14","11","2894","2897","10.1021/ol301175z","","","0.71073","MoKα","","0.0388","0.0315","","","0.0694","0.1022","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507994","9.058","0.002","9.824","0.002","14.734","0.003","98.499","0.002","96.322","0.002","92.204","0.003","1286.8","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H29 B2 Br N2 O4 -","- C26 H29 B2 Br N2 O4 -","- C52 H58 B4 Br2 N4 O8 -","2","2","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0401","0.0355","","","0.0955","0.0978","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508337","5.6722","0.0006","8.1511","0.0009","14.9077","0.0017","102.962","0.001","94.38","0.001","93.876","0.001","667.18","0.13","173","2","173","2","","","","","","","","6","P 1","P 1","1","12090a","","","- C24 H34 Br Cl N4 O7 -","- C24 H34 Br Cl N4 O7 -","- C24 H34 Br Cl N4 O7 -","1","1","","Kopina, Brett J.; Lauhon, Charles T.","Efficient preparation of 2,4-diaminopyrimidine nucleosides: total synthesis of lysidine and agmatidine.","Organic letters","2012","14","16","4118","4121","10.1021/ol301769j","","","0.71073","MoKα","","0.044","0.0369","","","0.0752","0.0787","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508358","5.6229","0.0003","8.7918","0.0004","12.5901","0.0006","81.487","0.004","82.616","0.004","76.535","0.004","595.75","0.05","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 N O4 -","- C24 H37 N O4 -","- C24 H37 N O4 -","1","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","1.54184","CuKα","","0.0632","0.0593","","0.1643","0.1554","0.1643","","","","","","0.9171","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508399","15.4039","0.0012","15.2813","0.0012","17.8904","0.0014","99.662","0.001","113.423","0.001","102.481","0.001","3618.4","0.5","149.8","0.5","149.8","0.5","","","","","","","","3","P 1","P 1","1","beta-cyclodextrin Aegelinol clathrate hydrate","cyclomaltoheptaose pyranocoumarin clathrate hydrate","","- C56 H102.5 O50.75 -","- C56 H102.5 O50.75 -","- C112 H205 O101.5 -","2","2","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","1.54179","CuKα","","0.071","0.0657","","","0.19","0.1966","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508615","10.1935","0.001","10.3796","0.0011","13.4375","0.0014","79.073","0.002","84","0.002","81.856","0.002","1377.5","0.2","90","","90","","","","","","","","","7","P 1","P 1","1","","","","- C62 H64 Ag F3 N4 O8 S -","- C62 H64 Ag F3 N4 O8 S -","- C62 H64 Ag F3 N4 O8 S -","1","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0795","0.0781","","","0.2013","0.2037","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508696","8.0748","0.0006","15.1323","0.0012","29.19","0.002","98.815","0.005","92.189","0.005","105.25","0.004","3388.9","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C20 H31 Br N2 O5 -","- C20 H31 Br N2 O5 -","- C120 H186 Br6 N12 O30 -","6","6","","Goldberg, Alexander F. G.; O'Connor, Nicholas R; Craig, 2nd, Robert A; Stoltz, Brian M.","Lewis acid mediated (3 + 2) cycloadditions of donor-acceptor cyclopropanes with heterocumulenes.","Organic letters","2012","14","20","5314","5317","10.1021/ol302494n","","","0.71073","MoKα","","0.0741","0.0565","","","0.1131","0.1152","","","","","","1.641","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508808","6.8088","0.0005","8.1381","0.0006","32.921","0.002","90","","90","","90","","1824.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H29 N O3 Si -","- C15 H28.5 N O3 Si -","- C60 H114 N4 O12 Si4 -","4","4","","Kashinath, K.; Vasudevan, N.; Reddy, D. Srinivasa","Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2'-amino-4'-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)","Organic Letters","2012","14","24","6222","6225","10.1021/ol303149k","","","0.71073","MoKα","","0.0819","0.0645","","","0.1756","0.1968","","","","","","1.081","","","","has coordinates","218681","2020-10-21","18:00:00",""
"1508821","6.95","0.005","7.4","0.005","17.571","0.012","92.119","0.012","96.424","0.013","90.191","0.011","897.4","1.1","183","2","183","2","","","","","","","","2","P 1","P 1","1","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","2","","Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi","Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation.","The journal of physical chemistry. A","2013","117","3","566","578","10.1021/jp306103a","","","0.71069","MoKα","","0.1226","0.0828","","","0.1965","0.2195","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508882","5.737","0.002","8.686","0.003","10.931","0.004","83.072","0.006","79.957","0.007","75.074","0.007","516.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H19 N O5 S -","- C24 H19 N O5 S -","- C24 H19 N O5 S -","1","1","","An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing","Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins.","Organic letters","2013","15","3","542","545","10.1021/ol303363r","","","0.71073","MoKα","","0.0778","0.0623","","","0.1187","0.1261","","","","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508915","10.54","0.0009","13.2962","0.0012","13.7619","0.0013","71.577","0.002","89.697","0.002","69.957","0.002","1707.4","0.3","15","2","15","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H44 N2 O8 S -","- C38 H44 N2 O8 S -","- C76 H88 N4 O16 S2 -","2","2","","Rajapaksa, Naomi S.; McGowan, Meredeth A.; Rienzo, Matthew; Jacobsen, Eric N.","Enantioselective total synthesis of (+)-reserpine.","Organic letters","2013","15","3","706","709","10.1021/ol400046n","","","0.41328","synchrotron","","0.0571","0.0447","","","0.0954","0.1015","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508932","7.649","0.0007","11.8911","0.001","12.6157","0.0011","105.779","0.001","98.658","0.001","92.067","0.001","1088.06","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H14 Cl4 N2 O5 -","- C22 H14 Cl4 N2 O5 -","- C44 H28 Cl8 N4 O10 -","2","2","","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","","","0.71073","MoKα","","0.0348","0.0334","","","0.0822","0.0839","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1510905","6.36","","9.95","","3.45","","90.83","","91.96","","105.47","","210.227","","","","","","","","","","","","","3","P 1","P 1","1","","Cd2 (B2 O5)","","- B2 Cd2 O5 -","- B2 Cd2 O5 -","- B4 Cd4 O10 -","2","2","","Belov, N.V.; Sokolova, E.V.; Simonov, M.A.","Crystal structure of cadmium pyroborate Cd2 B2 O5","Doklady Akademii Nauk SSSR","1979","247","","603","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511275","6.493","","6.499","","6.242","","107.79","","107.42","","93.33","","236.037","","","","","","","","","","","","","3","P 1","P 1","1","","Sm (B O3)","","- B O3 Sm -","- B O3 Sm -","- B4 O12 Sm4 -","4","4","","Kuznetsova, V.G.; Dzhurinskii, B.F.; Palkina, K.K.; Butman, L.A.","The crystal structure of Sm B O3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1976","2","","286","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511764","6.962","0.003","10.242","0.007","10.547","0.004","85.1","0.04","73.24","0.03","89.17","0.04","717.4","0.7","200","2","200","","","","","","","","","6","P 1","P 1","1","","trans-Dibromo-bis(inosine)-palladium(ii) trihydrate","","- C20 H30 Br2 N8 O13 Pd -","- C20 H28 Br2 N8 O13 Pd -","- C20 H28 Br2 N8 O13 Pd -","1","1","","Miguel Quirós; Juan M. Salas; M. Purificación Sánchez; André L. Beauchamp; Xavier Solans","Palladium(II)-Purine Nucleoside Complexes: Synthesis, Characterization and X-ray Determination","Inorganica Chimica Acta","1993","204","","213","220","10.1016/S0020-1693(00)82927-8","","","0.71073","MoKα","","","0.026","","","","0.026","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511765","15.681","0.004","7.406","0.003","6.846","0.003","92.99","0.02","105.25","0.03","85.48","0.02","764.3","0.5","298","2","298","","","","","","","","","6","P 1","P 1","1","","trans-Dichloro-bis(inosine)-palladium(ii) pentahydrate","","- C20 H34 Cl2 N8 O15 Pd -","- C20 H28 Cl2 N8 O15 Pd -","- C20 H28 Cl2 N8 O15 Pd -","1","1","","Miguel Quirós; Juan M. Salas; M. Purificación Sánchez; André L. Beauchamp; Xavier Solans","Palladium(II)-Purine Nucleoside Complexes: Synthesis, Characterization and X-ray Determination","Inorganica Chimica Acta","1993","204","","213","220","10.1016/S0020-1693(00)82927-8","","","","","","","0.04","","","","0.044","","","","","","1.48","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511767","6.669","0.002","9.235","0.003","10.462","0.004","67.05","0.01","73.43","0.02","69.22","0.02","546.6","0.3","291","2","","","","","","","","","","4","P 1","P 1","1","","","","- C23 H27 Br O4 -","- C23 H27 Br O4 -","- C23 H27 Br O4 -","1","1","","Alejandro F. Barrero; M. Mar Herrador; José Molina; José F. Quílez; Miguel Quirós","α-Longipinene Derivatives from Santolina Viscosa. A Conformational Analysis of the Cycloheptane Ring","Journal of Natural Products","1994","57","","873","881","10.1021/np50109a001","","","0.71073","MoKα","","0.113","0.042","","","","0.042","","","","","","1.36","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511789","8.554","0.004","8.841","0.003","12.929","0.005","93.573","0.01","108.72","0.009","114.576","0.014","820.1","0.6","110","","110","","","","","","","","","6","P 1","P 1","1","","","","- C22 H42 B2 F4 Li2 O14 -","- C22 H42 B2 F4 Li2 O14 -","- C22 H42 B2 F4 Li2 O14 -","1","1","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.1254","0.0595","","","0.1532","0.1813","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511851","15.0672","0.0003","15.6539","0.0004","17.4818","0.0004","97.737","0.001","99.263","0.001","97.544","0.001","3982.82","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36.25 H54 F3 N8 O6.25 -","- C36.25 H54 F3 N8 O6.25 -","- C145 H216 F12 N32 O25 -","4","4","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.0743","0.0653","","","0.1746","0.1832","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511909","9.2928","0.001","10.4817","0.0011","11.6022","0.0013","75.347","0.002","66.757","0.002","89.136","0.002","1000.04","0.19","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Br N4 O3 -","- C20 H19 Br N4 O3 -","- C40 H38 Br2 N8 O6 -","2","2","","Chen, Xianjie; Chen, Hui; Ji, Xun; Jiang, Hualiang; Yao, Zhu-Jun; Liu, Hong","Asymmetric One-Pot Sequential Mannich/Hydroamination Reaction by Organo- and Gold Catalysts: Synthesis of Spiro[pyrrolidin-3,2'-oxindole] Derivatives.","Organic letters","2013","15","8","1846","1849","10.1021/ol4004542","","","0.71073","MoKα","","0.0346","0.031","","","0.0709","0.0726","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512323","6.3054","0.0003","9.0002","0.0004","20.798","0.0009","97.215","0.004","92.994","0.004","98.644","0.004","1154.59","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H25 N2 O10.5 -","- C22 H25 N2 O10.5 -","- C44 H50 N4 O21 -","2","2","","Granda, Jarosław M.; Jurczak, Janusz","Sweet Anion Receptors: Recognition of Chiral Carboxylate Anions byd-Glucuronic-Acid-Decorated Diindolylmethane","Organic Letters","2013","15","18","4730","","10.1021/ol402074u","","","0.71073","MoKα","","0.0448","0.0341","","","0.0722","0.0771","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512329","5.72","0.008","11.095","0.018","15.48","0.03","83.6","0.08","88.96","0.07","80.16","0.05","962","3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H24 Br N3 O4 -","- C18 H24 Br N3 O4 -","- C36 H48 Br2 N6 O8 -","2","2","","Li, Dong Bo; Rogers-Evans, Mark; Carreira, Erick M.","Construction of Multifunctional Modules for Drug Discovery: Synthesis of Novel Thia/Oxa-Azaspiro[3.4]octanes.","Organic letters","2013","15","18","4766","4769","10.1021/ol402127b","","","1.54178","CuKα","","0.0776","0.0621","","","0.1639","0.1737","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512811","5.0612","0.0003","10.1638","0.0006","16.0051","0.0009","83.651","0.003","88.514","0.003","87.149","0.003","817.08","0.08","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H28 N4 O10 Zn -","- C34 H28 N4 O10 Zn -","- C34 H28 N4 O10 Zn -","1","1","","Devendra Singh; Jubaraj B. Baruah","Hydroxy-carboxylates of manganese, zinc and cadmium","Inorganica Chimica Acta","2013","394","","703","709","10.1016/j.ica.2012.09.025","","","0.71073","MoKα","","0.0377","0.0348","","","0.0946","0.1101","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512812","5.5897","0.0004","16.5961","0.001","16.6125","0.0011","73.622","0.004","85.665","0.004","82.482","0.004","1464.64","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H39 Mn2 N4 O28 -","- C48 H39 Mn2 N4 O28 -","- C48 H39 Mn2 N4 O28 -","1","1","","Devendra Singh; Jubaraj B. Baruah","Hydroxy-carboxylates of manganese, zinc and cadmium","Inorganica Chimica Acta","2013","394","","703","709","10.1016/j.ica.2012.09.025","","","0.71073","MoKα","","0.0832","0.0724","","","0.2075","0.2162","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512989","7.5389","0.0012","10.1054","0.0016","13.185","0.002","69.441","0.002","81.181","0.003","69.029","0.002","877.8","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N6 O15 S2 Zn2 -","- C26 H36 N6 O15 S2 Zn2 -","- C26 H36 N6 O15 S2 Zn2 -","1","1","","Amal Cherian Kathalikkattil; P.S. Subramanian; Eringathodi Suresh","Structural diversity in two dimensional chiral coordination polymers involving 4,4'bipyridine and l-cysteate as bridging ligands with Zn and Cd metal centres: Synthesis, characterization and X-ray crystallographic studies","Inorganica Chimica Acta","2011","365","1","363","370","10.1016/j.ica.2010.09.049","","","0.71073","MoKα","","0.0297","0.0289","","","0.0748","0.0765","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513025","13.9081","0.0011","13.9147","0.0013","14.0033","0.0017","113.529","0.002","111.7","0.002","102.769","0.001","2081.3","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H92 Co8 N12 O45 -","- C54 H92 Co8 N12 O45 -","- C54 H92 Co8 N12 O45 -","1","1","","Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang","Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities","Inorganica Chimica Acta","2013","397","","48","59","10.1016/j.ica.2012.11.018","","","0.71073","MoKα","","0.1066","0.0806","","","0.1906","0.2073","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513062","4.8102","0.0019","5.795","0.002","13.462","0.005","84.048","0.011","87.302","0.012","83.256","0.012","370.4","0.2","199","2","199","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","1","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.0555","0.0481","","","0.1125","0.1169","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513360","10.1848","0.0002","10.362","0.0002","10.3848","0.0002","71.742","0.001","67.38","0.001","60.647","0.001","871.11","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H48 N4 O9 -","- C19 H24 N2 O4.5 -","- C38 H48 N4 O9 -","2","2","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0618","0.0562","","","0.1177","0.1185","","","","","","2.562","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513374","10.4726","0.006","11.2226","0.0026","11.4289","0.0021","60.65","0.017","89.832","0.034","67.745","0.036","1055.4","0.8","298","2","298","2","","","","","","","synthesis as described","3","P 1","P 1","1","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","2","","Andrioli, Willian J.; Conti, Raphael; Araújo, Magali J; Zanasi, Riccardo; Cavalcanti, Bruno C.; Manfrim, Viviane; Toledo, Juliano S.; Tedesco, Daniele; de Moraes, Manoel O.; Pessoa, Cláudia; Cruz, Angela K.; Bertucci, Carlo; Sabino, José; Nanayakkara, Dhammika N. P.; Pupo, Mônica T; Bastos, Jairo K.","Mycoleptones A-C and Polyketides from the Endophyte Mycoleptodiscus indicus.","Journal of natural products","2014","77","1","70","78","10.1021/np4006822","","x-ray","1.54184","CuKα","","0.114","0.0913","","","0.2989","0.322","","","","","","1.416","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513446","14.078","0.002","15.968","0.003","16.71","0.003","107.796","0.004","101.993","0.005","90.015","0.005","3490.3","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","14_2_hb","","","- C74 H78 F8 I2 N2 -","- C74 H78 F8 I2 N2 -","- C148 H156 F16 I4 N4 -","2","2","","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","0.71073","MoKα","","0.1306","0.0745","","","0.1756","0.208","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513483","9.3592","0.0004","9.858","0.0007","13.1796","0.0007","86.612","0.005","87.077","0.004","84.894","0.004","1207.77","0.12","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","2","","Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters","Organic Letters","2014","16","3","776","779","10.1021/ol403480v","","","0.71073","MoKα","","0.0708","0.049","","","0.1064","0.1199","","","","","","1.019","","","","has coordinates","218609","2020-10-21","18:00:00",""
"1513520","8.665","0.005","8.848","0.005","10.375","0.006","74.678","0.012","79.658","0.01","83.356","0.011","752.7","0.7","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","2","","Wu, Kui; Fan, Zhoulong; Xue, Yu; Yao, Qizheng; Zhang, Ao","Rh(III)-catalyzed intermolecular C-H amination of 1-aryl-1H-pyrazol-5(4H)-ones with alkylamines.","Organic letters","2014","16","1","42","45","10.1021/ol402965d","","","0.71073","MoKα","","0.1369","0.1075","","","0.2938","0.3161","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513746","11.2226","0.0006","14.6368","0.0007","14.7457","0.0007","82.159","0.002","68.326","0.002","88.858","0.003","2228.66","0.19","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H37 F6 N3 O2 S2 -","- C49 H37 F6 N3 O2 S2 -","- C98 H74 F12 N6 O4 S4 -","2","2","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","1.54178","CuKα","","0.0918","0.0873","","","0.2335","0.2442","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513747","11.203","0.0008","14.6411","0.0009","14.7813","0.0009","82.469","0.004","68.116","0.004","89.224","0.004","2228.7","0.3","98","2","98","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H37 F6 N3 O2 S2 -","- C49 H37.5 F6 N3 O2 S2 -","- C98 H75 F12 N6 O4 S4 -","2","2","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","1.54178","CuKα","","0.1601","0.1413","","","0.3994","0.4275","","","","","","1.704","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513752","4.9526","0.0003","10.2028","0.0006","10.7011","0.0007","92.352","0.004","94.615","0.004","96.777","0.004","534.51","0.06","120","0.1","120","0.1","","","","","","","","4","P 1","P 1","1","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C24 H27 N O6 -","1","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0588","0.0523","","","0.1505","0.1619","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513799","4.9116","0.0006","8.8528","0.0014","13.96","0.0017","105.332","0.006","93.529","0.004","91.847","0.003","583.54","0.14","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C22 H26 N10 O10 -","2","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0732","0.0515","","","0.1172","0.1289","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513829","9.2285","0.0004","12.5843","0.0005","12.7057","0.0005","99.428","0.002","109.693","0.002","94.741","0.002","1355.32","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H40 I N O5 Si2 -","- C23 H40 I N O5 Si2 -","- C46 H80 I2 N2 O10 Si4 -","2","2","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.0185","0.0173","","","0.043","0.0607","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514212","6.5131","0.0013","7.9315","0.0016","9.954","0.002","90.89","0.03","94.28","0.03","112.44","0.03","473.4","0.2","297","","297","","","","","","","","","4","P 1","P 1","1","","","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C18 H25 N O6 -","1","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","","x-ray","1.54178","CuKα","","0.0679","0.0526","","","0.1394","0.1529","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514515","10.1595","0.0009","10.386","0.001","12.0283","0.0011","73.962","0.002","69.049","0.001","71.477","0.002","1104.74","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","1","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0439","0.0367","","","0.0806","0.0849","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514536","8.7254","0.0017","9.5176","0.0019","12.415","0.003","89.65","0.03","80.46","0.03","70.65","0.03","958","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C38 H62 O9 -","- C38 H62 O9 -","- C38 H62 O9 -","1","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0486","0.048","","","0.1401","0.1413","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514550","9.4188","0.0002","9.7589","0.0001","15.1515","0.0003","96.812","0.001","97.849","0.001","109.187","0.001","1282.95","0.04","150","2","150","2","","","","","","","synthesis as described","3","P 1","P 1","1","RajanBabu 1916","","","- C27 H32 O11 -","- C27 H32 O11 -","- C54 H64 O22 -","2","2","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.08","0.0849","","","","","","1.032","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1514581","9.552","0.005","10.569","0.006","13.458","0.007","71.185","0.011","76.497","0.011","77.422","0.011","1235.4","1.2","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1279","0.0524","","","0.1175","0.1617","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514677","11.3782","0.0002","12.8716","0.0002","13.5328","0.0003","103.493","0.0016","91.2746","0.0016","90.1766","0.0016","1926.7","0.06","180","2","180","","","","","","","","","6","P 1","P 1","1","","","","- C40 H54 I N3 O Pd -","- C40 H54 I N3 O Pd -","- C80 H108 I2 N6 O2 Pd2 -","2","2","","Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter","Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study","Chemical Science","2013","4","5","1995","","10.1039/c3sc00098b","","","0.7107","MoKα","","0.0295","0.0265","","","0.0596","0.0618","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514715","6.0479","0.0004","8.1021","0.0005","14.5564","0.001","81.543","0.006","83.748","0.005","72.375","0.006","670.83","0.08","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N O2 S -","- C16 H12 N O2 S -","- C32 H24 N2 O4 S2 -","2","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.1016","0.0796","","","0.2035","0.2322","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514777","13.7346","0.001","16.0038","0.0011","17.3585","0.0013","100.01","0.001","92.214","0.001","108.59","0.001","3543.2","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C32.33 H36.66 Cl0.66 N4 O10 S Si -","- C32.3305 H36.661 Cl0.661 N4 O10 S Si -","- C129.322 H146.644 Cl2.644 N16 O40 S4 Si4 -","4","4","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.094","0.0751","","","0.2013","0.2202","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514822","8.5274","0.0004","12.4106","0.0005","13.0776","0.0005","98.754","0.001","96.004","0.001","90.074","0.002","1360.17","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","[(NO2)Ni(Medoen)Zn(Me3TACN)]ClO4","","","- C19 H37 Cl N8 Ni O8 Zn -","- C19 H37 Cl N8 Ni O8 Zn -","- C38 H74 Cl2 N16 Ni2 O16 Zn2 -","2","2","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0687","0.0493","","","0.1084","0.1169","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514975","12.6553","0.0003","13.0092","0.0005","15.1663","0.0004","104.239","0.003","112.9","0.003","99.765","0.003","2128.75","0.14","150.1","","150.1","","","","","","","","","8","P 1","P 1","1","","","","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","1","1","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0413","0.0391","","","0.1015","0.1045","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515178","7.7512","0.0003","8.1381","0.0003","8.4256","0.0003","69.558","0.003","79.669","0.003","74.031","0.003","476.75","0.03","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C23 H22 O5 -","1","1","","Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels‒Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity","Chemical Science","2012","3","6","1879","","10.1039/c2sc20096a","","","1.54184","CuKα","","0.0279","0.0278","","","0.0736","0.0737","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515268","11.3125","0.0002","12.0218","0.0002","13.7304","0.001","102.179","0.007","107.108","0.008","93.227","0.007","1730.44","0.17","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","4","","Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A.","Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis","Chemical Science","2012","3","1","121","","10.1039/c1sc00441g","","","1.54187","CuKα","","","0.0562","","","","0.1611","","","","","","1.088","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515275","15.8942","0.0005","16.2322","0.0005","17.6688","0.0006","89.748","0.001","72.741","0.002","63.537","0.001","3853.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C14 H21 N9 O6 -","- C14 H21 N9 O6 -","- C112 H168 N72 O48 -","8","8","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0536","0.044","","","0.1069","0.1117","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515278","6.6138","0.0004","16.3922","0.001","23.9598","0.0014","101.113","0.003","92.328","0.003","95.176","0.003","2534","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","1","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0893","0.0766","","","0.1888","0.1971","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515320","10.232","0.006","12.112","0.007","12.792","0.008","76.697","0.014","79.053","0.019","81.737","0.019","1506.4","1.6","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C35 H38 N4 Ni O5 -","- C35 H38 N4 Ni O5 -","- C70 H76 N8 Ni2 O10 -","2","2","","Tamiaki, Hitoshi; Okamoto, Yukihiro; Mikata, Yuji; Shoji, Sunao","Photooxidative cleavage of zinc 20-substituted chlorophyll derivatives: conformationally P-helix-favored formation of regioselectively 19-20 opened linear tetrapyrroles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","898","907","10.1039/c1pp05301a","","","0.7107","MoKα","","","0.0579","","","","0.1461","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515345","6.1385","0.0002","14.6387","0.0005","37.9634","0.0009","83.436","0.002","86","0.003","80.353","0.003","3336.63","0.18","123","0.1","123","0.1","","","","","","","","4","P 1","P 1","1","","","","- C142 H226 N10 O16 -","- C142 H226 N10 O16 -","- C142 H226 N10 O16 -","1","1","","Svobodová, Hana; Nonappa,; Lahtinen, Manu; Wimmer, Zdeněk; Kolehmainen, Erkki","A steroid-based gelator of A(LS)2 type: tuning gel properties by metal coordination","Soft Matter","2012","8","30","7840","","10.1039/c2sm25259g","","","1.5418","CuKα","","0.0979","0.0716","","","0.1819","0.2056","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515556","11.009","0.007","17.213","0.01","25.06","0.016","73.3","0.02","82.6","0.03","79.77","0.03","4461","5","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C96 H102 Cl N5 O20 -","- C96 H102 Cl N5 O20 -","- C192 H204 Cl2 N10 O40 -","2","2","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1273","0.12","","0.3295","0.3229","0.3295","","","","","","1.0058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515785","8.932","0.0001","12.45","0.0002","22.583","0.0004","93.679","0.0009","100.549","0.0012","98.64","0.0011","2429.96","0.07","120","2","120","2","","","","","","","Phil Gale","4","P 1","P 1","1","","","","- C104 H151 N11 O10 -","- C104 H151 N11 O10 -","- C104 H151 N11 O10 -","1","1","","Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.","Acyclic indole and carbazole-based sulfate receptors","Chemical Science","2010","1","2","215","","10.1039/c0sc00202j","","","0.71073","MoKα","","0.0811","0.0613","","","0.1183","0.1288","","","","","","1.229","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515870","12.8218","0.0004","14.836","0.0005","18.8757","0.0006","96.898","0.002","99.557","0.002","95.874","0.002","3487.6","0.2","123","","123","","","","","","","","","8","P 1","P 1","1","","","","- C77 H56 B F24 Ir N O P -","- C77 H56 B F24 Ir N O P -","- C154 H112 B2 F48 Ir2 N2 O2 P2 -","2","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","","0.0334","0.0273","","0.0445","0.0307","0.0304","","","","","","0.9675","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515871","7.6503","0.0002","12.8616","0.0004","18.8654","0.0006","106.228","0.001","98.815","0.002","101.265","0.001","1704.86","0.09","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","4","","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","","0.0446","0.0408","","0.0636","0.0472","0.0472","","","","","","1.1103","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515999","9.356","0.002","10.965","0.002","12.863","0.003","75.982","0.007","74.937","0.007","78.025","0.007","1221.5","0.4","123.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C61 H48 Cl Fe O3 P2 Rh -","- C61 H48 Cl Fe O3 P2 Rh -","- C61 H48 Cl Fe O3 P2 Rh -","1","1","","Tanaka, Kenichi; Kinbara, Kazushi","Toward autonomously operating molecular machines driven by transition-metal catalyst.","Molecular bioSystems","2008","4","6","512","514","10.1039/b801621f","","","0.7107","MoKα","","","0.0264","","","","0.0266","","","","","","1.254","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516022","7.1558","0.0003","12.8203","0.0004","21.033","0.0007","85.657","0.002","88.636","0.002","77.863","0.002","1880.95","0.12","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C36.5 H68 O15.5 -","- C36.5 H62 O15.5 -","- C73 H124 O31 -","2","2","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0479","0.0477","","","0.1226","0.123","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516269","15.1204","0.0004","16.1764","0.0005","16.4479","0.0005","112.966","0.002","96.391","0.002","115.286","0.002","3157","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C73 H48 B F15 O7 U -","- C73 H48 B F15 O7 U -","- C146 H96 B2 F30 O14 U2 -","2","2","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0736","0.0468","","","0.095","0.1062","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516334","8.187","0.0008","9.207","0.0009","27.256","0.003","90.044","0.008","89.948","0.01","106.384","0.008","1971.1","0.4","122","","122","","","","","","","","","4","P 1","P 1","1","4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline","4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline","","- C24 H21 Br2 N -","- C24 H21 Br2 N -","- C96 H84 Br8 N4 -","4","4","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.1037","0.058","","","0.1592","0.209","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516351","8.538","0.005","10.605","0.004","11.064","0.006","67.828","0.001","81.864","0.005","85.056","0.001","917.8","0.8","293","2","293","2","","","","","","","","6","P 1","P 1","1","","trans-Palladium(II)-bis(tributylphosphine)-bis(kS-thioacetate)","","- C28 H60 O2 P2 Pd S2 -","- C28 H60 O2 P2 Pd S2 -","- C28 H60 O2 P2 Pd S2 -","1","1","","Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria","Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization.","The journal of physical chemistry. A","2009","113","52","14730","14740","10.1021/jp904865k","","","0.71069","MoKα","","0.0841","0.0513","","","0.1319","0.1536","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516526","6.63","0.018","8.27","0.02","22.07","0.1","89.6","0.3","87.7","0.3","80","0.2","1191","7","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(4R,5S)-1-((S)-4-hydroxy-3-methyl-4,4-diphenylbutanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.0682","0.0448","","","0.1019","0.1095","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516734","18.071","0.004","15.375","0.003","15.554","0.003","104.07","0.03","113.02","0.03","98.53","0.03","3711.9","1.9","270","2","271","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O100 -","- C108 H88 N2 O98.27 -","- C108 H88 N2 O98.27 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.5608","AgKα","","0.101","0.0896","","","0.236","0.2514","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516735","18.025","0.004","15.364","0.003","15.541","0.003","103.83","0.03","113.06","0.03","98.61","0.03","3699.8","1.9","265","2","265","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O97 -","- C106.2 H96 N1.85 O94.12 -","- C106.2 H96 N1.85 O94.12 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.1031","0.0991","","","0.2473","0.2524","","","","","","1.19","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516736","17.97","0.004","15.393","0.003","15.514","0.003","103.18","0.03","113.22","0.03","98.91","0.03","3693.4","1.9","260","2","260","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O99 -","- C98.652 H98 N1.221 O95.153 -","- C98.652 H98 N1.221 O95.153 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.0951","0.0925","","","0.2223","0.2263","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516737","17.915","0.002","15.405","0.003","15.542","0.002","103.04","0.01","113.35","0.01","99.15","0.01","3685.5","1.1","220","2","220","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O102 -","- C108 H98 N2 O101 -","- C108 H98 N2 O101 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.1064","0.0832","","","0.22","0.2503","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516738","17.896","0.002","15.389","0.003","15.519","0.002","103.01","0.01","113.43","0.01","99.07","0.01","3672","1.1","220","2","220","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O100 -","- C105.2 H103 N1.85 O99.74 -","- C105.2 H103 N1.85 O99.74 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.0826","0.0741","","","0.2002","0.2143","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516739","17.78","0.06","15.31","0.06","15.35","0.06","102.76","0.06","113.31","0.06","99.24","0.06","3596","2","20","2","20","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H154 N2 O101 -","- C104 H103 N1.75 O100.336 -","- C104 H103 N1.75 O100.336 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.5608","AgKα","","0.0934","0.0859","","","0.2206","0.2304","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516764","6.208","0.002","7.7318","0.0013","14","0.003","100.602","0.015","91.28","0.02","104.16","0.02","638.8","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 N O S -","- C13 H17 N O S -","- C26 H34 N2 O2 S2 -","2","2","","Guntreddi, Tirumaleswararao; Vanjari, Rajeshwer; Singh, Krishna Nand","Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides.","Organic letters","2014","16","14","3624","","10.1021/ol501482g","","","0.71073","MoKα","","0.0634","0.042","","","0.0968","0.114","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516961","6.683","0.004","15.639","0.007","15.685","0.007","88.127","0.016","84.123","0.018","79.058","0.019","1600.9","1.4","173","2","173","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C38 H32 N2 O2 Pd -","- C38 H32 N2 O2 Pd -","- C76 H64 N4 O4 Pd2 -","2","2","","Takashi Tsuno; Haruka Iwabe; Henri Brunner","Synthesis and structural characterization of isomeric palladium(II) complexes with chiral N,O-bidentate ligands","Inorganica Chimica Acta","2013","400","","262","266","","","x-ray","0.71073","MoKα","","0.0999","0.0769","","","0.1976","0.2172","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516968","8.0129","0.0019","8.8764","0.0018","14.284","0.003","75.661","0.009","88.56","0.011","73.636","0.007","943.3","0.4","173.15","","173.15","","","","","","","","","4","P 1","P 1","1","","","","- C23 H19 Br O4 -","- C23 H19 Br O4 -","- C46 H38 Br2 O8 -","2","2","","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","","0.0563","0.0496","","","0.0966","0.1017","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517178","10.0479","0.0008","10.4624","0.0008","10.6624","0.0008","93.078","0.004","90.52","0.004","118.662","0.004","981.34","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H19 Cl N2 O2 S -","- C22 H19 Cl N2 O2 S -","- C44 H38 Cl2 N4 O4 S2 -","2","2","","Wang, Hui; Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed highly enantioselective arylation of cyclic diketimines: efficient synthesis of chiral tetrasubstituted 1,2,5-thiadiazoline 1,1-dioxides.","Organic letters","2014","16","15","3962","3965","10.1021/ol501770q","","","0.71073","MoKα","","0.065","0.042","","","0.0851","0.1094","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517195","6.3154","0.0005","8.1371","0.0007","14.3362","0.0012","85.222","0.003","78.52","0.003","70.043","0.003","678.53","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C32 H24 Br2 N2 O2 -","2","2","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0675","0.0552","","","0.1339","0.1434","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517210","10.3348","0.0008","10.8803","0.0008","13.2532","0.0011","113.176","0.003","96.805","0.004","91.083","0.003","1356.84","0.19","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","1","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0298","0.0254","","","0.0562","0.0573","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517233","7.176","0.002","10.859","0.003","12.059","0.004","100.648","0.005","106.125","0.005","95.565","0.005","876.2","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C38 H42 N2 O6 S2 -","2","2","","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","","0.039","0.0344","","","0.0828","0.085","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517266","11.0003","0.0002","11.3149","0.0002","11.9224","0.0002","88.459","0.001","75.604","0.001","82.956","0.001","1426.49","0.04","140","2","140","2","","","","","","","","4","P 1","P 1","1","","","","- C65 H87 N O14 -","- C65 H87 N O14 -","- C65 H87 N O14 -","1","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0439","0.0432","","","0.1166","0.1195","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517364","13.826","0.0005","14.0301","0.0005","14.8023","0.0005","108.714","0.001","109.969","0.001","96.491","0.001","2474.82","0.15","150","","150","","","","","","","","","8","P 1","P 1","1","","[(Ph,Me-PNP)Mn(CO(bppm)][B(C6F5)4]","","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","1","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0491","0.042","","","0.1123","0.1174","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517403","9.18695","0.00015","9.48126","0.00017","21.1713","0.0003","82.38","0.0014","83.5029","0.0013","79.8305","0.0014","1791.47","0.05","120","0.2","120","0.2","","","","","","","","4","P 1","P 1","1","","","","- C35 H35 O17.5 S1.5 -","- C35 H35 O17.5 S1.5 -","- C70 H70 O35 S3 -","2","2","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.0531","0.0496","","","0.1394","0.1451","","","","","","1.057","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1517804","12.9465","0.0004","14.7156","0.0005","15.0171","0.0005","89.616","0.003","73.336","0.003","78.252","0.003","2679.35","0.16","97.5","","97.5","","","","","","","","","3","P 1","P 1","1","","","","- C30 H48 O7 -","- C30 H48 O7 -","- C120 H192 O28 -","4","4","","Li, Man-Man; Su, Xiao-Qin; Sun, Jing; Gu, Yu-Fan; Huang, Zheng; Zeng, Ke-Wu; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Li, Jun; Tu, Peng-Fei","Anti-inflammatory Ursane- and Oleanane-Type Triterpenoids from Vitex negundo var. cannabifolia.","Journal of natural products","2014","77","10","2248","2254","10.1021/np500509q","","","1.5418","CuKα","","0.0635","0.0625","","","0.1654","0.1672","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517814","7.58","0.005","12.228","0.007","20.041","0.013","97.8","0.03","97","0.02","107.58","0.04","1728.1","1.9","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C36 H40 Br2 O6 -","- C36 H40 Br2 O6 -","- C72 H80 Br4 O12 -","2","2","","Kanoh, Naoki; Kawamata, Ayano; Itagaki, Tomohiro; Miyazaki, Yuta; Yahata, Kenzo; Kwon, Eunsang; Iwabuchi, Yoshiharu","A Concise and Unified Strategy for Synthesis of the C1-C18 Macrolactone Fragments of FD-891, FD-892 and Their Analogues: Formal Total Synthesis of FD-891.","Organic letters","2014","16","19","5216","5219","10.1021/ol502633j","","","0.71075","MoKα","","","0.0518","","","","0.1085","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517959","7.0512","0.0008","8.2526","0.0009","10.6656","0.0019","73.101","0.013","82.494","0.012","86.39","0.009","588.55","0.15","294.67","0.1","294.67","0.1","","","","","","","","5","P 1","P 1","1","","","","- C11 H9 Cl N4 O2 -","- C11 H9 Cl N4 O2 -","- C22 H18 Cl2 N8 O4 -","2","2","","Wu, Xiu-Ping; Su, Yan; Gu, Peiming","Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.","Organic letters","2014","16","20","5339","5341","10.1021/ol502608d","","","0.71","MoKα","","0.0634","0.0509","","","0.1154","0.1356","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518071","5.0198","0.0003","9.5967","0.0006","10.9206","0.0007","84.776","0.002","82.397","0.002","83.744","0.002","516.78","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H26 N2 O9 -","- C17 H26 N2 O9 -","- C17 H26 N2 O9 -","1","1","","Blériot, Yves; Auberger, Nicolas; Jagadeesh, Yerri; Gauthier, Charles; Prencipe, Giuseppe; Tran, Anh Tuan; Marrot, Jérôme; Désiré, Jérôme; Yamamoto, Arisa; Kato, Atsushi; Sollogoub, Matthieu","Synthesis of 1,2-cis-Homoiminosugars Derived from GlcNAc and GalNAc Exploiting a β-Amino Alcohol Skeletal Rearrangement.","Organic letters","2014","16","21","5512","5515","10.1021/ol502926f","","","0.71073","MoKα","","0.0534","0.0428","","","0.1172","0.1269","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518131","5.8126","0.0009","12.6069","0.0019","13.068","0.002","102.911","0.002","92.604","0.002","90.251","0.002","932.3","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H29 N O3 -","- C18 H29 N O3 -","- C36 H58 N2 O6 -","2","2","","Arai, Kenzo; Buonamici, Silvia; Chan, Betty; Corson, Laura; Endo, Atsushi; Gerard, Baudouin; Hao, Ming-Hong; Karr, Craig; Kira, Kazunobu; Lee, Linda; Liu, Xiang; Lowe, Jason T.; Luo, Tuoping; Marcaurelle, Lisa A.; Mizui, Yoshiharu; Nevalainen, Marta; O'Shea, Morgan Welzel; Park, Eun Sun; Perino, Samantha A.; Prajapati, Sudeep; Shan, Mingde; Smith, Peter G.; Tivitmahaisoon, Parcharee; Wang, John Yuan; Warmuth, Markus; Wu, Kuo-Ming; Yu, Lihua; Zhang, Huiming; Zheng, Guo-Zhu; Keaney, Gregg F.","Total Synthesis of 6-Deoxypladienolide D and Assessment of Splicing Inhibitory Activity in a Mutant SF3B1 Cancer Cell Line.","Organic letters","2014","16","21","5560","5563","10.1021/ol502556c","","x-ray","0.71073","MoKα","","0.067","0.0502","","","0.1173","0.1286","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518344","6.25441","0.00012","12.592","0.0002","13.61853","0.00018","100.755","0.0012","92.7028","0.0013","95.0674","0.0014","1047.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","1,4-dibenzyl-6-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)piperazine-2,3,5-trione","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C48 H52 N4 O10 -","2","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0314","0.0302","","","0.0778","0.0785","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518416","7.4957","0.0003","12.0298","0.0004","17.8347","0.0007","87.387","0.0012","87.555","0.0011","74.708","0.001","1548.85","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H35 N O14 -","- C34 H35 N O14 -","- C68 H70 N2 O28 -","2","2","","Moon, Kyuho; Chung, Beomkoo; Shin, Yoonho; Rheingold, Arnold L.; Moore, Curtis E.; Park, Sung Jean; Park, Sunghyouk; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan","Pentacyclic antibiotics from a tidal mud flat-derived actinomycete.","Journal of natural products","2015","78","3","524","529","10.1021/np500736b","","","1.54178","CuKα","","0.0334","0.0327","","","0.0882","0.0889","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518484","9.1948","0.0011","12.5947","0.0014","13.668","0.0016","79.379","0.003","77.83","0.003","78.547","0.003","1499.6","0.3","100","2","100","2","","","","","","","synthesis","5","P 1","P 1","1","Ac-UgF(D)A-(S,S)gTS-UgFU-CONH2","Ac-UgF(D)A-(S,S)gTS-UgFU-CONH2","","- C54 H75 N8 O16 S -","- C54 H75 N8 O16 S -","- C54 H75 N8 O16 S -","1","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Raja, K. Muruga Poopathi; Gopi, Hosahudya N.","Design of Stable β-Hairpin Mimetics through Backbone Disulfide Bonds.","Organic letters","2015","17","2","230","233","10.1021/ol503310r","","","0.71073","MoKα","","0.0586","0.0492","","","0.1307","0.1388","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518546","6.453","0.0002","6.544","0.0002","6.7851","0.0002","107.752","0.001","97.132","0.001","107.192","0.001","253.356","0.014","123","","123","","","","","","","","see text","5","P 1","P 1","1","","","","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","1","1","","Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.","Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation","Catal. Sci. Technol.","2015","5","4","2282","","10.1039/C4CY01604A","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0381","0.0381","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518618","9.8359","0.0019","10.161","0.002","10.307","0.002","76.557","0.012","73.136","0.013","64.754","0.01","884.6","0.3","173.15","","173.15","","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Br N2 O -","- C20 H17 Br N2 O -","- C40 H34 Br2 N4 O2 -","2","2","","Fu, Niankai; Zhang, Long; Luo, Sanzhong","Chiral Primary Amine Catalyzed Asymmetric Michael Addition of Malononitrile to α-Substituted Vinyl Ketone.","Organic letters","2015","17","2","382","385","10.1021/ol503566a","","","0.71073","MoKα","","0.0349","0.032","","","0.0718","0.0739","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518777","11.4359","0.0002","12.0538","0.0002","13.8956","0.0002","69.152","0.001","82.96","0.001","81.651","0.001","1765.86","0.05","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H36 F36 Mg2 N8 O26 S12 -","- C28 H36 F36 Mg2 N8 O26 S12 -","- C28 H36 F36 Mg2 N8 O26 S12 -","1","1","","Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano","Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes","The Journal of Physical Chemistry C","2015","119","11","5878","","10.1021/jp512895h","","","0.71073","MoKα","","0.0348","0.0334","","","0.0892","0.0927","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518820","9.9575","0.0004","10.7208","0.0005","16.4862","0.0008","91.531","0.002","105.749","0.003","104.208","0.003","1633.82","0.13","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","4","","Yang, Xiao-Fei; Hu, Xu-Hong; Loh, Teck-Peng","Expedient Synthesis of Pyrroloquinolinones by Rh-Catalyzed Annulation of N-Carbamoyl Indolines with Alkynes through a Directed C-H Functionalization/C-N Cleavage Sequence.","Organic letters","2015","17","6","1481","1484","10.1021/acs.orglett.5b00355","","","0.71073","MoKα","","0.0722","0.0518","","","0.1226","0.1427","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519161","11.276","0.002","12.833","0.003","12.915","0.003","99.7","0.03","112.31","0.03","115.53","0.03","1431.4","1","","","295","","","","","","","","","3","P 1","P 1","1","","","","- C24 H12 N6 -","","","3","3","","Janczak, Jan; Kubiak, Ryszard","Tris(2-cyanophenyl)-1,3,5-triazine: a By-product of Metallophthalocyanine Synthesis","Acta Chemica Scandinavica","1999","53","","602","610","","","x-ray","0.71069","MoKα","","","0.0563","","","0.1043","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1519350","9.1615","0.0001","10.1143","0.0002","18.1371","0.0005","88.586","0.001","80.238","0.001","70.995","0.002","1565.16","0.06","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H51 Na3 O15 Si3 -","- C18 H51 Na3 O15 Si3 -","- C36 H102 Na6 O30 Si6 -","2","2","","Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.","C36H102Na6O30Si6","Crystal Structure Report Archive","2001","","","826","","","","","0.71073","MoKα","","0.0389","0.0338","","","0.0866","0.0895","","","","","","0.935","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1519496","6.134","0.003","7.123","0.004","10.777","0.006","102.328","0.008","106.299","0.008","90.659","0.007","440.2","0.4","173.15","","173.15","","","","","","","","","4","P 1","P 1","1","","","","- C22 H20 Br N -","- C22 H20 Br N -","- C22 H20 Br N -","1","1","","Zhang, Zhenhua; Du, Haifeng","Cis-selective and highly enantioselective hydrogenation of 2,3,4-trisubstituted quinolines.","Organic letters","2015","17","11","2816","2819","10.1021/acs.orglett.5b01240","","","0.71073","MoKα","","0.0418","0.0404","","","0.0902","0.0911","","","","","","1.093","","","","has coordinates","140285","2020-10-21","18:00:00",""
"1519904","6.1782","0.0003","7.5786","0.0003","8.0969","0.0003","100.526","0.002","91.585","0.002","107.06","0.002","355","0.03","120","2","120","2","","","","","","","","4","P 1","P 1","1","","1,1,3,3-Tetramethylbutylammonium malate","","- C12 H25 N O5 -","- C12 H25 N O5 -","- C12 H25 N O5 -","1","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium malate","Crystal Structure Report Archive","2008","","","560","","","","","0.71073","MoKα","","0.0407","0.0378","","","0.0813","0.0836","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519956","7.4774","0.0006","7.7071","0.0007","16.2943","0.0016","88.321","0.008","86.355","0.006","89.778","0.006","936.72","0.15","120","2","120","2","","","","","","","","4","P 1","P 1","1","","1-Methylpiperazinium di(L-tartrate) dihydrate","","- C13 H28 N2 O14 -","- C13 H28 N2 O14 -","- C26 H56 N4 O28 -","2","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","1-Methylpiperazinium di(L-tartrate) dihydrate","Crystal Structure Report Archive","2008","","","583","","","","","0.71073","MoKα","","0.0511","0.0377","","","0.0747","0.08","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519975","5.158","0.0005","5.3261","0.0007","7.5218","0.0006","78.735","0.008","83.33","0.01","79.077","0.011","198.31","0.04","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Methylammonium L-tartrate","","- C5 H11 N O6 -","- C5 H11 N O6 -","- C5 H11 N O6 -","1","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Methylammonium L-tartrate","Crystal Structure Report Archive","2008","","","579","","","","","0.71073","MoKα","","0.0381","0.033","","","0.0743","0.0779","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520139","9.631","0.003","10.027","0.003","15.551","0.004","86.83","0.02","87.67","0.02","78.27","0.02","1467.5","0.7","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C68 H76 N8 O4 -","2","2","","Faggi, Enrico; Gavara, Raquel; Bolte, Michael; Fajarí, Lluís; Juliá, Luís; Rodríguez, Laura; Alfonso, Ignacio","Copper(ii) complexes of macrocyclic and open-chain pseudopeptidic ligands: synthesis, characterization and interaction with dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12700","12710","10.1039/c5dt01496d","","","0.71073","MoKα","","0.2342","0.1479","","","0.3701","0.4177","","","","","","1.064","","","","has coordinates","143677","2020-10-21","18:00:00",""
"1520481","6.3923","0.0012","7.4769","0.001","21.635","0.004","90","","90.03","0.007","90","","1034","0.3","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H0 F3 N -","- C13 H8 F3 N -","- C52 H32 F12 N4 -","4","4","","Tizzard, G.; Threlfall, T.; Ling, S.; Coles, S.","(E)-2,4-difluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1426","","","","","0.71073","MoKα","","0.2783","0.0935","","","0.2229","0.3505","","","","","","0.856","","","","has coordinates","139002","2020-10-21","18:00:00",""
"1520534","7.9466","0.0005","14.9541","0.001","16.2556","0.0011","78.9198","0.0008","79.5663","0.0009","82.7612","0.0009","1856","0.2","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C80 H80 N16 O16 -","4","4","","Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M.","Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","4479","4483","10.1039/C5SC01553G","","","0.71073","MoKα","","0.0413","0.0377","","","0.0925","0.0955","","","","","","1.025","","","","has coordinates","170999","2020-10-21","18:00:00",""
"1521026","7.531","","9.24","","9.546","","98.07","","109.55","","102.19","","595.586","","","","","","","","","","","","","3","P 1","P 1","1","","Sr3 Te4 O11","","- O11 Sr3 Te4 -","- O11 Sr3 Te4 -","- O22 Sr6 Te8 -","2","2","","Dytyatev, O.A.; Dolgikh, V.A.","On the crystal structure of a new binary oxide Sr3 Te4 O11","Materials Research Bulletin","1999","34","","733","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","140653","2020-10-21","18:00:00",""
"1521822","14.69","","7.535","","6.372","","90.07","","85.9","","97.1","","698.091","","","","","","","","","","","","","4","P 1","P 1","1","","(U O2) ((Mo O4) (H2 O)) (H2 O)1.45","","- H4.9 Mo O8.45 U -","- Mo O8.45 U -","- Mo4 O33.8 U4 -","4","4","","Rastsvetaeva, R.K.; Barinova, A.V.; Sidorenko, G.A.; Pushcharovskii, D.Yu.","Crystal structure of triclinic umohoite (U Mo O6 (H2 O)) . (H2 O)","Doklady Akad. Nauk","2000","373","","202","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522058","9.026","","9.338","","9.508","","95.1","","104.1","","96.6","","766.381","","","","","","","","","","","","","4","P 1","P 1","1","","Al (P O4) (H2 O)2","","- Al H4 O6 P -","- Al O6 P -","- Al6 O36 P6 -","6","6","","Tuel, A.; Baerlocher, C.; Meden, A.; Caldarelli, S.; McCusker, L.B.; Kaucic, V.; Ristic, A.; Rajic, N.; Mali, G.","NMR characterization and Rietveld refinement of the structure of rehydrated (Al P O4)-34","J. Phys. Chem. B","2000","104","","5697","5705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523329","8.144","","6.22","","5.758","","117.54","","89.99","","111.24","","236.065","","","","","","","","","","","","","3","P 1","P 1","1","","Na4 (Co O3)","","- Co Na4 O3 -","- Co Na4 O3 -","- Co2 Na8 O6 -","2","2","","Burow, W.; Hoppe, R.","Zur Kenntnis der Oxocobaltate(II) Na4 (Co O3), ein Nesocobaltat(II)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","459","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524300","5.431","","5.431","","17.73999","","124.14","","95.86","","120","","317.125","","","","","","","","","","","","","3","P 1","P 1","1","","Fe Si4 O9.5","","- Fe O6 Si4 -","- Fe O6 Si4 -","- Fe O6 Si4 -","1","1","","Eggleton, R.A.; Bailey, S.W.","The crystal structure of stilpnomelane. Part I. The subcell","Clays and Clay Minerals (-28,1980)","1966","13","","49","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525883","5.359","","11.614","","11.861","","113.16","","103.04","","94.56","","649.457","","","","","","","","","","","","","7","P 1","P 1","1","","Fe6.314 K1.875 Na (Ti2 Si8 O24) (O3 (O H)4)","","- Fe6.314 H4 K1.875 Na O31 Si8 Ti2 -","- Fe6.314 H4 K1.875 Na O31 Si8 Ti2 -","- Fe6.314 H4 K1.875 Na O31 Si8 Ti2 -","1","1","","Ma, Z.-S.; Li, G.-W.; Zhou, H.-Y.; Shi, N.-C.; Pushcharovskii, D.Yu.; Ye, D.-I.","Structure refinement of astrophyllite","Science in China Series D","2001","44","","508","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525950","5.125","","6.559","","8.173","","75.06","","89.25","","69.62","","247.938","","","","","","","","","","","","","3","P 1","P 1","1","","Ga2 Te4 O11","","- Ga2 O11 Te4 -","- Ga2 O11 Te4 -","- Ga2 O11 Te4 -","1","1","","Dutreilh, M.; Thomas, P.; Frit, B.; Champarnaud-Mesjard, J.C.","Crystal structure of a new gallium tellurite: Ga2 Te4 O11","Solid State Sciences","2001","3","","423","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","147032","2020-10-21","18:00:00",""
"1526013","6.5732","","6.4445","","6.3693","","60.995","","61.257","","77.191","","206.872","","","","","","","","","","","","","6","P 1","P 1","1","","Ca Sr (B5 O9) Cl (H2 O)","","- B5 Ca Cl H2 O10 Sr -","- B5 Ca Cl H2 O10 Sr -","- B5 Ca Cl H2 O10 Sr -","1","1","","Ferro, O.; Pekov, I.V.; Pushcharovskii, D.Yu.; Lovskaya, E.V.; Teat, S.; Vinogradova, S.A.","Crystal structure of strontian hilgardite","Kristallografiya","2000","45","","452","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526063","7.65","","10.336","","10.509","","114.34","","93.29","","107.53","","705.998","","","","","","","","","","","","","4","P 1","P 1","1","","(N D4)4 D2 (Se O4)3","","- D18 N4 O12 Se3 -","- D18 N4 O12 Se3 -","- D36 N8 O24 Se6 -","2","2","","Fukami, T.; Chen, R.H.","Structural phase transition and crystal structure for (N D4)4 D2 (Se O4)3 at low temperature","Acta Physica Polonica, A","2001","100","","53","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","147169","2020-10-21","18:00:00",""
"1526340","4.9646","","5.4023","","4.9154","","90.32","","119.31","","63.93","","99.496","","","","","","","","","","","","","3","P 1","P 1","1","","Cu V O3","","- Cu O3 V -","- Cu O3 V -","- Cu O3 V -","1","1","","Rea, J.R.; Bless, P.W.; Kostiner, E.","The Crystal Structure of Cu V O3, a Distorted Ilmenite-Type Derivative","Journal of Solid State Chemistry","1972","5","","446","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526580","6.57","","4.056","","3.7288","","89.48","","90.53","","88.84","","99.336","","","","","","","","","","","","","3","P 1","P 1","1","","Li Na5 N2","","- Li N2 Na5 -","- Li N2 Na5 -","- Li N2 Na5 -","1","1","","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",""
"1527052","6.075","","4.384","","6.124","","84.4","","93.25","","94.55","","161.612","","","","","","","","","","","","","3","P 1","P 1","1","","Pb2.667 V1.333 O5.96","","- O5.96 Pb2.667 V1.333 -","- O5.96 Pb2.6648 V1.33 -","- O5.96 Pb2.6648 V1.33 -","1","1","","Zyryanov, V.V.; Lapina, O.B.","Mechanochemical synthesis and structure of new phases in the Pb - V - O system","Neorganicheskie Materialy","2001","37","","331","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","148343","2020-10-21","18:00:00",""
"1528084","18.5","","6.8","","6.858","","87.88","","91.52","","94.55","","859.188","","","","","","","","","","","","","3","P 1","P 1","1","","Gd2 (Ge2 O7)","","- Gd2 Ge2 O7 -","- Gd2 Ge2 O7 -","- Gd12 Ge12 O42 -","6","6","","Smolin, Yu.I.; Butikova, I.K.; Shepelev, Yu.F.","Determination of the crystal structure of Gd2 Ge2 O7","Kristallografiya","1971","16","","911","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","149970","2020-10-21","18:00:00",""
"1528470","15.325","","21.014","","22.173","","83.639","","89.636","","84.175","","7059.89","","","","","","","","","","","","","7","P 1","P 1","1","","((C H3)2 N H2)12 (Zr (P2 W15 O54 (H2 O)2)2) (H2 O)21","","- C13 H52 N6.5 O129.125 P4 W30 Zr -","- C13 H52 N6.5 O129.125 P4 W30 Zr -","- C26 H104 N13 O258.25 P8 W60 Zr2 -","2","2","","Fang Xikui; Hill, C.L.","Multiple reversible protonation of polyoxoaniom surfaces: direct observation of dynamic structural effects from proton transfer","Angewandte Chemie (Edition international)","2007","46","","3877","3880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528767","7.08021","","7.23058","","7.25535","","88.7669","","84.7333","","75.9047","","358.727","","","","","","","","","","","","","4","P 1","P 1","1","","Sr1.02 Si2 O2 N2","","- N2 O2 Si2 Sr1.02 -","- N2 O2 Si2 Sr1.0295 -","- N8 O8 Si8 Sr4.118 -","4","4","","Oeckler, O.; Stadler, F.; Schnick, W.; Rosenthal, T.","Real structure of Sr Si2 O2 N2","Solid State Sciences","2007","9","","205","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","151421","2020-10-21","18:00:00",""
"1528811","15.1","","15.11","","15.092","","90.06","","90.01","","89.93","","3443.4","","","","","","","","","","","","","7","P 1","P 1","1","","Ca16 (Mg2 (Si7 Al) (O31 (O H))) Cl4","","- Al Ca16 Cl4 H Mg2 O32 Si7 -","- Al Ca16 Cl4 Mg2 O32 Si7 -","- Al4 Ca64 Cl16 Mg8 O128 Si28 -","4","4","","Rastsvetaeva, R.K.; Zadov, A.E.; Chukanov, N.V.","Crystal structure of low-symmetry rondorfite","Kristallografiya","2008","53","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529313","10.2391","0.0006","11.4922","0.0006","24.9637","0.0012","91.304","0.0013","98.318","0.0017","114.935","0.0014","2624.1","0.2","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H29 Br N O6 P -","- C27 H29 Br N O6 P -","- C108 H116 Br4 N4 O24 P4 -","4","4","","Horwitz, Matthew A.; Tanaka, Naoya; Yokosaka, Takuya; Uraguchi, Daisuke; Johnson, Jeffrey S.; Ooi, Takashi","Enantioselective reductive multicomponent coupling reactions between isatins and aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","11","6086","6090","10.1039/C5SC02170G","","","0.71073","MoKα","","0.0453","0.0399","","","0.1044","0.1249","","","","","","1.077","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529799","4.356","","6.701","","7.385","","116.79","","106.78","","90.71","","181.654","","","","","","","","","","","","","3","P 1","P 1","1","","Te2 Se2 O8","","- O8 Se2 Te2 -","- O8 Se2 Te2 -","- O8 Se2 Te2 -","1","1","","Delage, C.; Goursolle, M.; Carpy, A.","The Te O2 - Se O2 system. Crystal structure of Te2 Se2 O8.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1982","295","","981","983","","","","","","","","","","","","","","","","","","","","","","has coordinates","154429","2020-10-21","18:00:00",""
"1530014","8.216","","8.454","","10.794","","109.09","","89.89","","111.18","","654.867","","","","","","","","","","","","","5","P 1","P 1","1","","Rb Te F4 (N O3)","","- F4 N O3 Rb Te -","- F4 N O3 Rb Te -","- F16 N4 O12 Rb4 Te4 -","4","4","","Gorbunova, Yu.E.; Linde, S.A.; Kokunov, Yu.V.; Pakhomov, V.I.; Buslaev, Yu.A.; Gustyakova, M.P.","Synthesis and structure of Te(IV) fluoride nitrates and chloride fluorides","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","340","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530118","7.71","","7.701","","7.698","","109.06","","109.27","","109.29","","355.253","","","","","","","","","","","","","3","P 1","P 1","1","","K (I O3)","","- I K O3 -","- I K O3 -","- I4 K4 O12 -","4","4","","Kalinin, V.P.; Ilyukhin, V.V.; Belov, N.V.","About the crystal structure of the triclinic modification of potassium iodate","Doklady Akademii Nauk SSSR","1978","239","","590","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530127","6.473","","6.473","","12.439","","103.58","","101.77","","104.04","","472.293","","","","","","","","","","","","","3","P 1","P 1","1","","Rb Sb S2","","- Rb S2 Sb -","- Rb S2 Sb -","- Rb4 S8 Sb4 -","4","4","","Kanishcheva, A.S.; Kuznetsov, V.G.; Lazarev, V.B.; Tarasova, T.G.","Crystal structure of Rb Sb S2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1977","18","","1069","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530347","5.445","","7.346","","9.473","","85.89","","83.92","","82.13","","372.601","","","","","","","","","","","","","5","P 1","P 1","1","","S3 N2 N H2 B F4","","- B F4 H2 N3 S3 -","- B F4 H2 N3 S3 -","- B F4 H2 N3 S3 -","1","1","","Marcellus, C.G.; Oakley, R.T.; Cordes, A.W.; Pennington, W.T.","The preparation and the crystal and molecular structure of (S3 N2 N H2)(+) (B F4)(-); a molecular orbital study of the protonation of the trisulphur trinitride anion","Canadian Journal of Chemistry","1984","62","","1822","1827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530392","7.357","0.0003","11.5004","0.0005","15.8083","0.0006","101.789","0.002","102.383","0.002","90.228","0.001","1277.24","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","2","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0967","0.0954","","","0.2396","0.2429","","","","","","1.183","","","","has coordinates","160562","2020-10-21","18:00:00",""
"1530486","5.416","","5.517","","6.858","","104.89","","102.05","","106.8","","180.495","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Ca Ge2 O5 -","- Ca Ge2 O5 -","- Ca2 Ge4 O10 -","2","2","","Nevskii, N.N.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of Ca Ge2 O5 -a germanium analog of sphene","Doklady Akademii Nauk SSSR","1979","246","","1123","1126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530575","16.56","","17.69","","3.982","","91.09","","96.46","","96.77","","1150.41","","","","","","","","","","","","","3","P 1","P 1","1","","Pb4 Sb6 S13","","- Pb4 S13 Sb6 -","- Pb4 S13 Sb6 -","- Pb8 S26 Sb12 -","2","2","","Petrova, I.V.; Belov, N.V.; Bortnikov, N.S.; Pobedimskaya, E.A.; Kaplunnik, L.N.","The crystal structure of synthetic robinsonite","Doklady Akademii Nauk SSSR","1978","241","","88","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","155706","2020-10-21","18:00:00",""
"1530579","10.35","","12.17","","7.05","","91","","99.33","","92.5","","875.162","","","","","","","","","","","","","7","P 1","P 1","1","","Na K2 Ca2 Ti (Si7 O18 (O H)) O","","- Ca2 H K2 Na O20 Si7 Ti -","- Ca2 K2 Na O20 Si7 Ti -","- Ca4 K4 Na2 O40 Si14 Ti2 -","2","2","","Petrunina, A.A.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of tinaksite Na K2 Ca2 Ti Si7 O19 (O H)","Doklady Akademii Nauk SSSR","1971","198","","575","578","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530758","7.57","","13.98","","5.03","","101.5","","70.417","","101.5","","486.368","","","","","","","","","","","","","6","P 1","P 1","1","","Na2 Ce4 Ti2 (Si O4)2 O6 (O H)2 (H2 O)8","","- Ce4 H18 Na2 O24 Si2 Ti2 -","- Ce4 Na1.998 O24 Si2 Ti2 -","- Ce4 Na1.998 O24 Si2 Ti2 -","1","1","","Shumyatskaya, N.G.; Voronkov, A.A.; Ilyukhin, V.V.; Belov, N.V.","Crystal structure of tundrite","Doklady Akademii Nauk SSSR","1969","185","","1289","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530810","7.473","","8.392","","13.574","","89.93","","87.62","","63.58","","761.563","","","","","","","","","","","","","4","P 1","P 1","1","","Al (I O3)3 (H2 O)8","","- Al H16 I3 O17 -","- Al I3 O17 -","- Al2 I6 O34 -","2","2","","Sorokina, N.I.; Ilyukhin, V.V.; Kalinin, V.R.; Belov, N.V.","The crystal structure of aluminium iodate octahydrate","Doklady Akademii Nauk SSSR","1979","247","","360","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530953","7.08","","7.101","","6.928","","87.74","","91.25","","115.81","","313.312","","","","","","","","","","","","","3","P 1","P 1","1","","La2 Ge2 O7","","- Ge2 La2 O7 -","- Ge2 La2 O7 -","- Ge4 La4 O14 -","2","2","","Vetter, G.; Queyroux, F.","Determination structurale de la forme de haute temperature du compose La4 (Ge3 O10) (Ge O4): Analyse comparative des structures tricliniques des germanates de terres rares de formule globale Ln2 Ge2 O7","Journal of Solid State Chemistry","1988","73","","287","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","156188","2020-10-21","18:00:00",""
"1531039","14.3767","0.0009","24.3477","0.0016","24.5528","0.0014","90.131","0.002","93.427","0.003","91.09","0.003","8577.5","0.9","100","2","100","2","","","","","","","","5","P 1","P 1","1","","NR443-B","","- C70.45 H104.45 Cl13.38 N8 O12.05 -","- C70.4595 H104.46 Cl13.3785 N8 O12.053 -","- C281.838 H417.838 Cl53.514 N32 O48.212 -","4","4","","Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R.","Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties","Chem. Sci.","2016","7","1","183","","10.1039/C5SC03187G","","x-ray","0.71073","MoKα","","0.1402","0.0823","","","0.1987","0.2339","","","","","","1.016","","","","has coordinates,has disorder","175932","2020-10-21","18:00:00",""
"1531687","7.997","","11.146","","11.328","","60.89","","73.96","","83.62","","847.506","","","","","","","","","","","","","5","P 1","P 1","1","","Na7 (V W6 O24) (H2 O)14","","- H28 Na7 O38 V W6 -","- Na7 O38 V W6 -","- Na7 O38 V W6 -","1","1","","Kin'ones, S.O.; Kaziev, G.Z.; Volodina, V.A.; Zavodnik, V.E.; de Ita, A.; Bel'skii, V.K.","Synthesis and study of sodium hexatungstovanadate(V)","Zhurnal Neorganicheskoi Khimii","2001","46","","1076","1080","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531993","9.1851","","9.464","","9.5281","","94.511","","102.89","","95.751","","798.953","","","","","","","","","","","","","4","P 1","P 1","1","","Al (P O4) (H2 O)2","","- Al H4 O6 P -","- Al O6 P -","- Al6 O36 P6 -","6","6","","Poulet, G.; Sautet, P.; Tuel, A.","Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principlescalculations","J. Phys. Chem. B","2002","106","","8599","8608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532192","6.71","","13.985","","10.032","","89.96","","111.14","","90.01","","878.042","","","","","","","","","","","","","5","P 1","P 1","1","","Ca (Al2 Si6 O16) (H2 O)4","","- Al2 Ca H8 O20 Si6 -","- Al2 Ca O20 Si6 -","- Al4 Ca2 O40 Si12 -","2","2","","Tanaka, T.; Kimura, R.; Akizuki, M.; Kudoh, Y.","Origin of low-symmetry growth sectors in edingtonite and yugawaralite, and crystal structure of the k(011) and v(120) sectors of yugawaralite","Mineralogical Magazine (1969-)","2002","66","","409","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533364","14.408","","9.723","","10.592","","90","","96.205","","90","","1475.13","","","","","","","","","","","","","2","P 1","P 1","1","","Sm2.78 C70","","- C70 Sm2.78 -","- C70 Sm2.78 -","- C140 Sm5.56 -","2","2","","Chi Dam Hieu; Iwasa, Y.; Uehara, K.; Ohishi, Y.; Kato, K.; Takenobu, T.; Takata, M.; Nishibori, E.; Mitani, T.; Sakata, M.; Ito, T.; Kubozono, Y.","Pressure-induced structural phase transition in fullerides doped with rare-earth metals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2003","67","","094101-1","094101-9","","","","","","","","","","","","","","","","","","","","","","has coordinates","159511","2020-10-21","18:00:00",""
"1533461","9.134","","10.748","","11.762","","114.32","","90.33","","90.46","","1052.15","","","","","","","","","","","","","6","P 1","P 1","1","","(Np O2 (O C (N H2)2)5) (Cl O4) (H2 O)","","- C5 H22 Cl N10 Np O12 -","- C5 H20 Cl N10 Np O12 -","- C10 H40 Cl2 N20 Np2 O24 -","2","2","","Grigor'ev, M.S.; Antipin, M.Yu.; Garnov, A.Yu.; Krot, N.N.","Synthesis and structure of complexes of Np(V) perchlorate and Np(V) chloride with urea","Radiokhimiya","2002","44","","415","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534438","6.385","","8.242","","9.83","","85.91","","102.62","","96.7","","500.799","","","","","","","","","","","","","3","P 1","P 1","1","","Fe Se Cl7","","- Cl7 Fe Se -","- Cl7 Fe Se -","- Cl14 Fe2 Se2 -","2","2","","Rybakov, V.B.; Aslanov, L.A.; Volkov, S.V.; Fokina, Z.A.; Timoshchenko, N.I.","X-ray investigation of iron(III) halogenchalcogenide complexes","Zhurnal Neorganicheskoi Khimii","1991","36","","2541","2548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534442","6.539","","8.388","","9.966","","86.12","","102.72","","97.46","","528.266","","","","","","","","","","","","","3","P 1","P 1","1","","Fe Te Cl7","","- Cl7 Fe Te -","- Cl7 Fe Te -","- Cl14 Fe2 Te2 -","2","2","","Rybakov, V.B.; Aslanov, L.A.; Timoshchenko, N.I.; Volkov, S.V.; Fokina, Z.A.","X-ray investigation of iron(III) halogenchalcogenide complexes","Zhurnal Neorganicheskoi Khimii","1991","36","","2541","2548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534445","6.796","","8.769","","10.435","","85.71","","102.63","","97.06","","601.478","","","","","","","","","","","","","3","P 1","P 1","1","","Fe Te Br7","","- Br7 Fe Te -","- Br7 Fe Te -","- Br14 Fe2 Te2 -","2","2","","Rybakov, V.B.; Aslanov, L.A.; Fokina, Z.A.; Volkov, S.V.; Timoshchenko, N.I.","X-ray investigation of iron(III) halogenchalcogenide complexes","Zhurnal Neorganicheskoi Khimii","1991","36","","2541","2548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534661","6.675","","6.922","","10.732","","83.96","","82.29","","89.44","","488.65","","","","","","","","","","","","","5","P 1","P 1","1","","Na5.5 (U O2)3 (H0.5 P O4) (P O4)3","","- H0.5 Na5.5 O22 P4 U3 -","- Na5.55 O22 P4 U3 -","- Na5.55 O22 P4 U3 -","1","1","","Gorbunova, Yu.E.; Linde, S.A.; Lavrov, A.V.; Pobedina, A.B.","Synthesis and structure of Na6-x(UO2)3(HxPO4)(PO4)3 (x=0.5)","Doklady Akademii Nauk SSSR","1980","251","","385","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","161580","2020-10-21","18:00:00",""
"1534803","6.1072","","6.1071","","8.671","","90.02","","89.98","","90.04","","323.405","","","","","","","","","","","","","3","P 1","P 1","1","","Ba3 W O6","","- Ba3 O6 W -","- Ba3 O6 W -","- Ba6 O12 W2 -","2","2","","Balashov, V.L.; Kharlanov, A.A.; Kondratov, O.I.; Fomichev, V.V.","Model of crystal structure and analysis of oscillation in Ba3WO6","Zhurnal Neorganicheskoi Khimii","1991","36","","456","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535346","9.843","","15.155","","15.289","","104.51","","97.63","","99.55","","2140.71","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cs10 K6 Pb36 -","- Cs10 K6 Pb36 -","- Cs10 K6 Pb36 -","1","1","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535858","3.72911","","8.092","","10.1222","","71.2085","","80.5242","","86.6534","","285.216","","","","","","","","","","","","","5","P 1","P 1","1","","K3 (C6 N9) (H2 O)","","- C6 H2 K3 N9 O -","- C6 H2 K3 N9 O -","- C6 H2 K3 N9 O -","1","1","","Irran, E.; Juergens, B.; Schnick, W.","Synthesis, crystal structure determination from X-ray powder diffractometry and vibrational spectroscopy of the tricyanomelaminate monohydrates M3 (C6 H9) * (H2 O) (M = K, Rb)","Solid State Sciences","2002","4","","1305","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535862","3.93168","","8.26477","","10.36279","","70.7984","","81.8717","","87.5042","","314.803","","","","","","","","","","","","","5","P 1","P 1","1","","Rb3 (C6 N9) (H2 O)","","- C6 H2 N9 O Rb3 -","- C6 H2 N9 O Rb3 -","- C6 H2 N9 O Rb3 -","1","1","","Irran, E.; Juergens, B.; Schnick, W.","Synthesis, crystal structure determination from X-ray powder diffractometry and vibrational spectroscopy of the tricyanomelaminate monohydrates M3 (C6 H9) * (H2 O) (M = K, Rb)","Solid State Sciences","2002","4","","1305","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535873","6.665","","13.301","","6.665","","89.92","","91.52","","89.99","","590.652","","","","","","","","","","","","","5","P 1","P 1","1","","Mg (N H4) Cl3 (H2 O)6","","- Cl3 H16 Mg N O6 -","- Cl3 H16 Mg N O6 -","- Cl6 H32 Mg2 N2 O12 -","2","2","","Nakayasu, M.; Suzukawa, Y.; Kobayashi, W.","Crystal structure of Mg Cl2 * (N H4) Cl * (H2 O)6","Denki Kagaku Oyobi Kogyo Butsuri Kagaku (= Electro-Chemistry and Industrial Physical-Chemistry)","1983","51","","419","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536384","7.519","","9.722","","26.759","","89.97","","90.1","","90.11","","1956.07","","","","","","","","","","","","","3","P 1","P 1","1","","Cs2 (Hg Cl4)","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl32 Cs16 Hg8 -","8","8","","Pakhomov, V.I.; Goryunov, A.V.; Gladkii, V.V.; Kallaev, S.N.; Ivanova-Korfini, I.N.","Structure of low temperature (170 K) phase and piezoelectric properties of cesium tetrachloromercurate.","Zhurnal Neorganicheskoi Khimii","1992","37","","1447","1454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536389","4.916","","4.917","","5.407","","90","","90","","120","","113.188","","","","","","","","","","","","","2","P 1","P 1","1","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","3","","Pakhomov, V.I.; Goryunov, A.V.; Pakhomov, P.V.; Chibiskova, N.T.","On the structure of alpha-Si O2 crystals doped with Fe3+","Zhurnal Neorganicheskoi Khimii","1993","38","","44","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536429","12.188","","14.74","","14.847","","60.87","","66.35","","77.54","","2133.53","","","","","","","","","","","","","5","P 1","P 1","1","","La3 Cs15 (P O3)24 (H2 O)6","","- Cs15 H12 La3 O78 P24 -","- Cs15 La3 O78 P24 -","- Cs15 La3 O78 P24 -","1","1","","Palkina, K.K.; Kuz'mina, N.E.; Sazhenkov, A.Yu.; Masloboev, V.A.","Structure of La3 Cs15 P24 O72 6(H2 O) crystals","Zhurnal Neorganicheskoi Khimii","1995","40","","374","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536545","5.351","","7.131","","14.488","","102.1","","95.24","","90","","538.188","","","","","","","","","","","","","6","P 1","P 1","1","","Na7.23 Ti4 (Si2 O7)2 O2 (O H)2 (H P O4)2","","- H4 Na7.23 O26 P2 Si4 Ti4 -","- Na7.23 O26 P2 Si4 Ti4 -","- Na7.23 O26 P2 Si4 Ti4 -","1","1","","Khalilov, A.D.","Refinement of crystal structure of betalomonosovite from Lovozerskii alkaline mine","Mineralogiceskij Zhurnal","1990","12","","10","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","164292","2020-10-21","18:00:00",""
"1536585","14.024","","23.778","","25.48","","90.44","","90.26","","107.03","","8123.62","","","","","","","","","","","","","4","P 1","P 1","1","","Ba45 Cu28 Al17 F197","","- Al17 Ba45 Cu28 F197 -","- Al17 Ba45 Cu28 F197 -","- Al34 Ba90 Cu56 F394 -","2","2","","Dupont, N.; Gredin, P.; Samouel, M.; de Kozak, A.","The ternary system (Ba F2)/(Cu F2)/(Al F3) and the crystal structure of Ba45 Cu28 Al17 F197","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","191","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","164351","2020-10-21","18:00:00",""
"1536629","6.334","","4.0463","","3.7255","","90","","107.3","","90.5","","91.158","","","","","","","","","","","","","3","P 1","P 1","1","","V0.95 Mo0.97 O5","","- Mo0.97 O5 V0.95 -","- Mo0.97 O5 V0.95 -","- Mo0.97 O5 V0.95 -","1","1","","Plyasova, L.M.; Kryukova, G.N.; Solov'eva, L.P.; Zabolotnyi, V.A.; Olen'kova, I.P.","The study of atomic structure of polycrystalline vanadium molybdate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","110","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","164414","2020-10-21","18:00:00",""
"1536716","4.885","","5.074","","8.627","","104.7","","100.25","","116.5","","174.317","","","","","","","","","","","","","3","P 1","P 1","1","","Ba (Sb F6)2","","- Ba F12 Sb2 -","- Ba F12 Sb2 -","- Ba F12 Sb2 -","1","1","","Popov, A.I.; Val'kovskii, M.D.; Sukhoverkhov, V.F.","Structure of fluoroantimonates(V) and fluorobismuthates(V) of alkaline earth metals","Zhurnal Neorganicheskoi Khimii","1990","35","","2831","2836","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536883","9.584","","7.267","","5.708","","89.85","","101.22","","101.03","","382.496","","","","","","","","","","","","","10","P 1","P 1","1","","Na2 Ca4 (Ca0.7 Mn0.1 Fe0.1 Ce0.1) (Ti O (O H) (Si2 O7)2) F2","","- Ca4.7 Ce0.1 F2 Fe0.1 H Mn0.1 Na2 O16 Si4 Ti -","- Ca4.7 Ce0.1 F2 Fe0.1 Mn0.1 Na2 O16 Si4 Ti -","- Ca4.7 Ce0.1 F2 Fe0.1 Mn0.1 Na2 O16 Si4 Ti -","1","1","","Rastsvetaeva, R.K.; Pushcharovskii, D.Yu.; Atencio, D.","Crystal structure of giannetite","Kristallografiya","1995","40","","626","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536900","6.245","","6.298","","7.838","","105.39","","65.15","","108.63","","261.975","","","","","","","","","","","","","4","P 1","P 1","1","","Sr (Zn (O H)4) H2 O","","- H6 O5 Sr Zn -","- O5 Sr Zn -","- O5 Sr Zn -","1","1","","Zaitsev, B.E.; Ivanov-Emin, B.N.; Petrishcheva, L.P.; Il'inets, A.M.; Baturin, N.A.; Regel', L.L.","IK spectrum of sodium and alkali-earth metals hydroxozincates and crystal structure of SrZn(OH)4 H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1255","1259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539580","5.569","","7.12","","8.865","","97.55","","112.34","","108.5","","295.326","","","","","","","","","","","","","2","P 1","P 1","1","","Ti5 O9","","- O9 Ti5 -","- O9 Ti5 -","- O18 Ti10 -","2","2","","Andersson, S.","The crystal structure of Ti5 O9","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","1161","1172","","","","","","","","","","","","","","","","","","","","","","has coordinates","168527","2020-10-21","18:00:00",""
"1539962","7.77","","5.97","","6.93","","135.1","","105.8","","67.4","","209.486","","","","","","","","","","","","","4","P 1","P 1","1","","Pb2 H P3 O10","","- H O10 P3 Pb2 -","- O10 P3 Pb2 -","- O10 P3 Pb2 -","1","1","","Worzala, H.; Jost, K.H.","Die Kristallstruktur des Bleimonohydrogentriphosphats, Pb2 H P3 O10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","445","","36","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540608","9.9554","0.0003","13.0776","0.0004","14.9103","0.0004","75.045","0.001","78.893","0.001","69.659","0.001","1747.12","0.09","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C32 H37 Br Cl N3 O6 S2 -","- C32 H37 Br Cl N3 O6 S2 -","- C64 H74 Br2 Cl2 N6 O12 S4 -","2","2","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0409","0.0404","","","0.1053","0.1058","","","","","","1.052","","","","has coordinates,has disorder","170758","2020-10-21","18:00:00",""
"1540626","10.0435","0.0008","10.3143","0.0008","12.8862","0.0011","74.5019","0.0014","87.313","0.0014","78.6415","0.0014","1261.15","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","1","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.6861","synchrotron","","0.0381","0.0376","","","0.0934","0.0938","","","","","","1.015","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540720","7.234","0.001","10.321","0.001","19.308","0.002","85.37","0.01","79.85","0.02","69.87","0.01","1332","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C27 H38 O4 -","- C27 H38 O4 -","- C54 H76 O8 -","2","2","","Cimmino, Alessio; Mathieu, Veronique; Masi, Marco; Baroncelli, Riccardo; Boari, Angela; Pescitelli, Gennaro; Ferderin, Marlène; Lisy, Romana; Evidente, Marco; Tuzi, Angela; Zonno, Maria Chiara; Kornienko, Alexander; Kiss, Robert; Evidente, Antonio","Higginsianins A and B, Two Diterpenoid α-Pyrones Produced by Colletotrichum higginsianum, with in Vitro Cytostatic Activity.","Journal of natural products","2016","79","1","116","125","10.1021/acs.jnatprod.5b00779","","","0.71073","MoKα","","0.2219","0.1026","","","0.2105","0.2528","","","","","","0.896","","","","has coordinates","175794","2020-10-21","18:00:00",""
"1540955","6.558","","12.628","","6.554","","100.43","","107.53","","100.48","","492.567","","","","","","","","","","","","","3","P 1","P 1","1","","K (As Se2)","","- As K Se2 -","- As K Se2 -","- As4 K4 Se8 -","4","4","","Sheldrick, W.S.; Haeusler, H.J.","Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und Kristallstrukturen von M As Se2, M = K, Rb, Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","561","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541620","18.9","","7.47","","5.68","","90","","90","","101.33","","786.292","","","","","","","","","","","","","6","P 1","P 1","1","","Na Ca2 Ti (Si2 O7) O F","","- Ca2 F Na O8 Si2 Ti -","- Ca2 F Na O8 Si2 Ti -","- Ca8 F4 Na4 O32 Si8 Ti4 -","4","4","","Kheirov, M.B.; Mamedov, Kh.S.; Belov, N.V.","Crystal structure of rinkite Na (Ca, Ce)2 (Ti, Ce) O (Si2 O7) F","Doklady Akademii Nauk SSSR","1963","150","","162","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541907","5.385","0.008","9.274","0.013","25.69","0.04","92.65","0.02","95.509","0.019","93.348","0.02","1273","3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C55 H82 N2 O8 S -","- C55 H82 N2 O8 S -","- C55 H82 N2 O8 S -","1","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.2437","0.1082","","","0.2511","0.3229","","","","","","1.001","","","","has coordinates,has disorder","177883","2020-10-21","18:00:00",""
"1541908","5.4174","0.0005","9.3296","0.0009","24.033","0.002","95.858","0.002","92.994","0.002","93.33","0.002","1204.23","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H74 N2 O8 S -","- C51 H74 N2 O8 S -","- C51 H74 N2 O8 S -","1","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.0918","0.0676","","","0.1557","0.17","","","","","","1.054","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1541909","8.671","0.007","11.183","0.009","27.36","0.02","94.389","0.014","97.977","0.016","109.553","0.014","2454","3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C50.5 H79.5 N2.5 O9.5 -","- C50.5 H79.5 N2.5 O9.5 -","- C101 H159 N5 O19 -","2","2","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.2949","0.0725","","","0.1467","0.2409","","","","","","0.643","","","","has coordinates","177883","2020-10-21","18:00:00",""
"1541910","8.615","0.003","11.124","0.004","25.315","0.009","101.343","0.007","91.424","0.007","109.601","0.006","2229.9","1.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C46.5 H71.5 N2.5 O9.5 -","- C46.5 H71.5 N2.5 O9.5 -","- C93 H143 N5 O19 -","2","2","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.1361","0.0652","","","0.1124","0.1372","","","","","","0.958","","","","has coordinates","177883","2020-10-21","18:00:00",""
"1542283","6.9927","0.0003","8.3025","0.0003","8.4128","0.0003","76.086","0.003","83.924","0.003","87.628","0.003","471.36","0.03","100","0.3","100","0.3","","","","","","","","4","P 1","P 1","1","","","","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","1","1","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0172","0.0158","","","0.0392","0.0398","","","","","","1.064","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542333","8.4358","0.0004","8.6021","0.0004","9.8323","0.0004","104.212","0.003","98.226","0.003","96.026","0.003","677.2","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H32 O6 P2 -","- C32 H32 O6 P2 -","- C32 H32 O6 P2 -","1","1","","Bigler, Raphael; Mezzetti, Antonio","Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts","Organic Process Research & Development","2016","20","2","253","","10.1021/acs.oprd.5b00391","","x-ray","0.71073","MoKα","","0.062","0.0509","","","0.111","0.1154","","","","","","0.973","","","","has coordinates","177428","2020-10-21","18:00:00",""
"1542352","11.4197","0.0002","15.8645","0.0003","16.2611","0.0004","66.72","0.001","86.95","0.001","71.548","0.001","2558.26","0.09","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C52 H72 N4 O19 -","- C52 H72 N4 O19 -","- C104 H144 N8 O38 -","2","2","","Widlicka, Daniel W.; Murray, John C.; Coffman, Karen J.; Xiao, Chunguang; Brodney, Michael A.; Rainville, Joseph P.; Samas, Brian","Two Routes to 4-Fluorobenzisoxazol-3-one in the Synthesis of a 5-HT4Partial Agonist","Organic Process Research & Development","2016","20","2","233","","10.1021/acs.oprd.5b00389","","","1.54178","CuKα","","0.0468","0.0442","","","0.1139","0.1168","","","","","","1.05","","","","has coordinates,has disorder","177427","2020-10-21","18:00:00",""
"1542484","5.0283","0.0004","5.058","0.0004","20.8394","0.0018","86.645","0.002","83.338","0.003","68.908","0.005","491.08","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","<i>L</i>-Methionine‒succinic acid (2/1)","","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","1","1","","Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P.","<small>L</small>-Methionine‒succinic acid (2/1)","IUCrData","2016","1","1","x152459","","10.1107/S2414314615024591","","","0.71073","MoKα","","0.066","0.0634","","","0.1697","0.1711","","","","","","1.114","","","","has coordinates,has Fobs","177533","2020-10-21","18:00:00",""
"1542538","8.3731","0.0003","8.6907","0.0003","11.7281","0.0005","68.851","0.003","81.968","0.003","82.401","0.003","785.04","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.71073","MoKα","","0.0331","0.0304","","","0.0525","0.0539","","","","","","0.966","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542542","6.778","0.003","6.953","0.003","9.458","0.004","109.182","0.006","93.369","0.006","98.437","0.006","413.7","0.3","173","","173","","","","","","","","","4","P 1","P 1","1","","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","1","1","RZ4001","Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","IUCrData","2016","1","2","x160252","","10.1107/S2414314616002522","","","0.71073","MoKα","","0.0394","0.0383","","","0.1009","0.1025","","","","","","1.031","","","","has coordinates,has Fobs","176886","2020-10-21","18:00:00",""
"1542570","7.02512","0.00015","8.17982","0.00017","10.0807","0.0002","104.135","0.0018","104.019","0.0018","91.6954","0.0018","542.58","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","(R)-7-chloro-1-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a] quinoline-4-carbaldehyde","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","2","","Sanchez-Diez, Eduardo; Vesga, Diana L.; Reyes, Efraim; Uria, Uxue; Carrillo, Luisa; Vicario, Jose L.","Organocatalytically Generated Donor-Acceptor Cyclopropanes in Domino Reactions. One-Step Enantioselective Synthesis of Pyrrolo[1,2-a]quinolines.","Organic letters","2016","18","6","1270","1273","10.1021/acs.orglett.6b00173","","","1.54184","CuKα","","0.0327","0.0318","","","0.0852","0.0861","","","","","","1.065","","","","has coordinates","181449","2020-10-21","18:00:00",""
"1542738","6.061","0.017","3.384","0.013","11.575","0.006","90","","90","","90","","237.4","1.1","","","","","","","","","","","","4","P 1","P 1","1","","","","- C14 H6 N2 O2 -","- C14 H6 N2 O2 -","- C14 H6 N2 O2 -","1","1","","Fratini, Albert V.; Cross, Elisa M.; O'brien, Joseph F.; Adams, W. Wade","The structure of poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) fibers by X-ray diffraction","Journal of Macromolecular Science, Part B","1985","24","1-4","159","179","10.1080/00222348508248023","","","","","","","0.208","","","","","","","","","","","","","","has coordinates","178018","2020-10-21","18:00:00",""
"1542739","6.044","0.006","3.417","0.007","12.194","0.018","90","","90","","90","","251.8","0.7","","","","","","","","","","","","4","P 1","P 1","1","","","","- C14 H6 N2 S2 -","- C14 H6 N2 S2 -","- C14 H6 N2 S2 -","1","1","","Fratini, Albert V.; Cross, Elisa M.; O'brien, Joseph F.; Adams, W. Wade","The structure of poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) fibers by X-ray diffraction","Journal of Macromolecular Science, Part B","1985","24","1-4","159","179","10.1080/00222348508248023","","","","","","","0.095","","","","","","","","","","","","","","has coordinates","178019","2020-10-21","18:00:00",""
"1542862","8.8284","0.0018","10.076","0.002","14.925","0.003","76.39","0.03","78.81","0.03","66.84","0.03","1178.7","0.5","150","","150","","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C19 H20 Cl2 Cu N4 O9 -","- C19 H20 Cl2 Cu N4 O9 -","- C38 H40 Cl4 Cu2 N8 O18 -","2","2","","Hallett, Andrew J.; O'Brien, Thomas M.; Carter, Emma; Kariuki, Benson M.; Murphy, Damien M.; Ward, Benjamin D.","Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: Coordination chemistry, ligand stability, and catalysis","Inorganica Chimica Acta","2016","441","","86","94","10.1016/j.ica.2015.10.032","","","0.71073","MoKα","","0.0669","0.0578","","0.1464","0.1376","0.1464","","","","","","0.9905","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1542911","8.914","0.0008","10.559","0.0007","10.6874","0.0007","82.779","0.006","72.066","0.007","70.261","0.007","900.55","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H17 N O7 -","- C21 H17 N O7 -","- C42 H34 N2 O14 -","2","2","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Removing the superfluous: a supported squaramide catalyst with a minimalistic linker applied to the enantioselective flow synthesis of pyranonaphthoquinones","Catal. Sci. Technol.","2016","6","13","4686","","10.1039/C6CY00473C","","","0.7107","MoKα","","0.0657","0.0522","","","0.1289","0.1363","","","","","","1.004","","","","has coordinates","185082","2020-10-21","18:00:00",""
"1543030","5.8323","0.0004","6.989","0.0004","13.7431","0.0009","97.28","0.002","98.85","0.002","91.576","0.002","548.43","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 B N O4 S -","- C10 H12 B N O4 S -","- C20 H24 B2 N2 O8 S2 -","2","2","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast and selective labeling of N-terminal cysteines at neutral pH via thiazolidino boronate formation.","Chemical science","2016","7","7","4589","4593","10.1039/C6SC00172F","","","1.54178","CuKα","","0.0261","0.026","","","0.0701","0.0703","","","","","","1.033","","","","has coordinates","190060","2020-10-21","18:00:00",""
"1543066","9.9172","0.0005","10.001","0.0005","10.4124","0.0005","86.863","0.004","84.173","0.004","66.037","0.004","938.73","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","","- C18 H26 Cl2 N2 O -","- C18 H26 Cl2 N2 O -","- C36 H52 Cl4 N4 O2 -","2","2","SU4028","Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","IUCrData","2016","1","4","x160554","","10.1107/S241431461600554X","","","0.71073","MoKα","","0.0554","0.0534","","","0.1432","0.1456","","","","","","1.063","","","","has coordinates,has Fobs","182001","2020-10-21","18:00:00",""
"1543124","9.8056","0.0009","10.1342","0.0009","13.2604","0.0013","106.4","0.002","94.409","0.002","93.758","0.002","1255.1","0.2","130","","130","","","","","","","","","6","P 1","P 1","1","","","","- C29 H21 Br N2 O3 S -","- C29 H21 Br N2 O3 S -","- C58 H42 Br2 N4 O6 S2 -","2","2","","Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia","Rhodium(III)-Catalyzed Cascade Cyclization/Electrophilic Amidation for the Synthesis of 3-Amidoindoles and 3-Amidofurans.","Organic letters","2016","18","9","2058","2061","10.1021/acs.orglett.6b00689","","","0.71073","MoKα","","0.0931","0.0517","","","0.1041","0.1182","","","","","","0.946","","","","has coordinates","185002","2020-10-21","18:00:00",""
"1543218","7.8503","0.0014","11.0271","0.0019","17.767","0.003","75.302","0.007","81.673","0.008","89.125","0.008","1471.6","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C66 H69 N3 O15 -","3","3","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1733","0.0574","","","0.1226","0.1674","","","","","","0.928","","","","has coordinates","184956","2020-10-21","18:00:00",""
"1543317","11.3141","0.0002","13.0066","0.0003","13.3059","0.0003","107.027","0.0007","97.7315","0.0007","113.173","0.0007","1650.25","0.06","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C24 H19 Br N2 O2 S -","- C24 H19 Br N2 O2 S -","- C72 H57 Br3 N6 O6 S3 -","3","3","","Kikuchi, Jun; Momiyama, Norie; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Diastereo- and Enantioselective Mannich-Type Reaction between Enamides and Thiazolones.","Organic letters","2016","18","11","2521","2523","10.1021/acs.orglett.6b00857","","","0.71075","MoKα","","0.0532","0.0323","","","0.0701","0.0975","","","","","","1.143","","","","has coordinates","184975","2020-10-21","18:00:00",""
"1543335","17.138","0.002","9.7525","0.0005","13.831","0.002","90","","134.45","0.03","90","","1650.2","0.9","","","","","","","","","","","","4","P 1","P 1","1","","","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C18 H17 N O6 -","1","1","","Yu, Xuelong; Guo, Qiang; Su, Guozhu; Yang, Ailin; Hu, Zhongdong; Qu, Changhai; Wan, Zhe; Li, Ruoyu; Tu, Pengfei; Chai, Xingyun","Usnic Acid Derivatives with Cytotoxic and Antifungal Activities from the Lichen Usnea longissima.","Journal of natural products","2016","79","5","1373","1380","10.1021/acs.jnatprod.6b00109","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543336","11.6293","0.0002","9.9961","0.0002","16.9428","0.0002","90","","93.84","0.001","90","","1965.14","0.06","","","","","","","","","","","","4","P 1","P 1","1","","","","- C20 H23 N O7 -","- C10 H11.5 N0.5 O3.5 -","- C40 H46 N2 O14 -","4","4","","Yu, Xuelong; Guo, Qiang; Su, Guozhu; Yang, Ailin; Hu, Zhongdong; Qu, Changhai; Wan, Zhe; Li, Ruoyu; Tu, Pengfei; Chai, Xingyun","Usnic Acid Derivatives with Cytotoxic and Antifungal Activities from the Lichen Usnea longissima.","Journal of natural products","2016","79","5","1373","1380","10.1021/acs.jnatprod.6b00109","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","183586","2020-10-21","18:00:00",""
"1543356","5.105","0.0001","9.985","0.0002","11.8359","0.0002","65.909","0.001","85.15","0.001","82.591","0.001","545.829","0.018","173","2","173","2","","","","","","","","3","P 1","P 1","1","YA375-F1","YA375-F1","","- C29 H22 O4 -","- C29 H22 O4 -","- C29 H22 O4 -","1","1","","Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Unsymmetrical 1,2-Disubstituted Alkenes.","Organic letters","2016","18","11","2672","2675","10.1021/acs.orglett.6b01116","","","1.54186","CuKα","","0.044","0.0406","","","0.1047","0.121","","","","","","1.222","","","","has coordinates","184974","2020-10-21","18:00:00",""
"1543772","5.559","0.005","11.24","0.005","13.638","0.005","75.767","0.005","83.93","0.005","81.445","0.005","814.7","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","1","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1104","0.0661","","","0.157","0.1861","","","","","","1.042","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543791","9.7657","0.0013","12.7259","0.0016","26.975","0.003","86.183","0.007","83.556","0.007","70.327","0.007","3135.3","0.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H68 Cl F14 N7 O2 S2 -","- C56.0005 H68 Cl F14.0015 N7 O2 S2 -","- C112.001 H136 Cl2 F28.003 N14 O4 S4 -","2","2","","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","","0.0861","0.069","","","0.1756","0.1886","","","","","","1.036","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543829","7.2748","0.0002","12.323","0.0003","13.1676","0.0003","114.212","0.001","90.277","0.001","91.395","0.001","1076.14","0.05","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","2","","Liu, Cui-Ping; Wang, Guo-Cai; Gan, Li-She; Xu, Cheng-Hui; Liu, Qun-Fang; Ding, Jian; Yue, Jian-Min","Ciliatonoids A and B, Two Limonoids from Toona ciliata.","Organic letters","2016","18","12","2894","2897","10.1021/acs.orglett.6b01213","","","1.54178","CuKα","","0.0648","0.0628","","","0.1622","0.1693","","","","","","1.023","","","","has coordinates","184912","2020-10-21","18:00:00",""
"1544035","5.3047","0.0003","9.4281","0.0005","10.3733","0.0006","73.857","0.003","79.443","0.004","83.488","0.003","488.84","0.05","299","2","299","2","","","","","","","","5","P 1","P 1","1","phthalonitrile","","","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","1","1","","Alpugan, Serkan; Ekineker, Gülçin; Ahsen, Vefa; Berber, Savaş; Önal, Emel; Dumoulin, Fabienne","Bisphthalonitrile with a Disulfide-Based Linker and its Dimethylene Analogue: Comparative Structural Insights","Crystals","2016","6","8","89","","10.3390/cryst6080089","","","0.71073","MoKα","","0.0403","0.0353","","","0.0874","0.0906","","","","","","1.031","","","","has coordinates","186267","2020-10-21","18:00:00",""
"1544242","8.164","0.005","8.507","0.005","19.437","0.009","90.22","0.03","90.11","0.03","90.19","0.02","1349.9","1.3","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C16 H17 N O2 -","- C16 H16 N O2 -","- C64 H64 N4 O8 -","4","4","","Maeda, Hajime; Takenaka, Hiroki; Mizuno, Kazuhiko","Intermolecular hydrogen bonding controlled stereoselective photocycloaddition of vinyl ethers to 1-cyanonaphthalenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","11","1385","1392","10.1039/c6pp00281a","","","0.71075","MoKα","","0.1888","0.1534","","","0.3799","0.3958","","","","","","2.467","","","","has coordinates","190279","2020-10-21","18:00:00",""
"1544495","4.924","0.002","5.683","0.003","5.685","0.003","75.4","0.009","89.974","0.009","81.261","0.009","152.04","0.13","","","","","","","","","","","","3","P 1","P 1","1","Ca0.47CoO2","","","- Ca0.47 Co O2 -","- Ca1.868 Co4 O8 -","- Ca1.868 Co4 O8 -","1","1","","Miyazaki, Y.; Huang, X.; Kajiwara, T.; Yamane, H.; Kajitani, T.","Synthesis, crystal structure and physical properties of layered cobalt oxide CaxCoO2 (x~0.47)","Journal of the Ceramic Society of Japan","2009","117","","42","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","187858","2020-10-21","18:00:00",""
"1544941","7.5065","0.0004","8.2625","0.0003","12.1071","0.0005","93.086","0.003","105.999","0.004","96.045","0.004","715.11","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","1","1","","Wallbaum, Jan; Garve, Lennart K. B.; Jones, Peter G.; Werz, Daniel B.","Ring-Opening 1,3-Halochalcogenation of Cyclopropane Dicarboxylates.","Organic letters","2017","19","1","98","101","10.1021/acs.orglett.6b03375","","","1.54184","CuKα","","0.0295","0.029","","","0.0749","0.0758","","","","","","1.027","","","","has coordinates,has disorder","191400","2020-10-21","18:00:00",""
"1545020","5.5512","0.0002","8.9374","0.0003","19.4754","0.0006","102.143","0.003","93.557","0.003","90.362","0.003","942.61","0.06","293.2","0.5","293.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C44 H44 O10 -","2","2","","Fu, Kai; Zhang, Jingchuan; Lin, Lili; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-Dioxide/Lanthanide(III) Complex Catalyzed Asymmetric Bisvinylogous Mukaiyama Aldol Reactions","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03470","","x-ray","1.54184","CuKα","","0.05","0.0483","","","0.1265","0.1292","","","","","","1.071","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545029","8.8456","0.0007","13.4959","0.0012","17.587","0.0017","92.181","0.004","98.685","0.004","106.652","0.003","1981.1","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 N O5.5 P -","- C20 H24 N O5.5 P -","- C80 H96 N4 O22 P4 -","4","4","","Suneja, Arun; Unhale, Rajshekhar A.; Singh, Vinod K.","Enantioselective Hydrophosphonylation of in Situ Generated N-Acyl Ketimines Catalyzed by BINOL-Derived Phosphoric Acid.","Organic letters","2017","19","3","476","479","10.1021/acs.orglett.6b03623","","","0.71073","MoKα","","0.0582","0.0492","","","0.1131","0.1175","","","","","","1.041","","","","has coordinates","191385","2020-10-21","18:00:00",""
"1545091","5.2533","0.0002","12.0015","0.0005","16.3874","0.0007","74.879","0.002","84.088","0.002","80.148","0.002","980.85","0.07","100","2","100","2","","","","","","","","6","P 1","P 1","1","","isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-D-alaninate","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0368","0.0351","","","0.0865","0.0877","","","","","","0.989","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545093","10.9092","0.0006","12.5543","0.0004","15.2599","0.0009","86.71","0.004","83.989","0.005","89.249","0.004","2074.99","0.18","100","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C54 H51 Cl O2 Ru -","- C54 H51 Cl O2 Ru -","- C108 H102 Cl2 O4 Ru2 -","2","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","","0.0629","0.0535","","","0.1404","0.1545","","","","","","1.09","","","","has coordinates,has disorder","193750","2020-10-21","18:00:00",""
"1545162","9.302","0.0002","9.7698","0.0002","16.9249","0.0004","84.505","0.001","86.765","0.001","71.597","0.001","1452.19","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","1","1","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.54178","CuKα","","0.0513","0.0503","","","0.1414","0.1423","","","","","","1.289","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545180","8.0883","0.0002","10.9716","0.0003","16.0771","0.0004","72.07","0.001","80.273","0.001","86.279","0.002","1337.78","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H15.5 N4 O6.75 S -","- C10 H15.5 N4 O6.75 S -","- C40 H62 N16 O27 S4 -","4","4","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0311","0.0286","","","0.0758","0.0773","","","","","","1.025","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545299","7.881","0.002","8.61","0.002","10.582","0.003","101.612","0.003","110.925","0.002","103.559","0.002","619","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","1","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.0315","0.0309","","","0.082","0.0822","","","","","","1.093","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545431","9.239","0.003","9.369","0.002","13.014","0.003","69.214","0.006","85.843","0.009","82.923","0.011","1044.6","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H9.5 F1.5 O2 S -","- C11 H9.5 F1.5 O2 S -","- C44 H38 F6 O8 S4 -","4","4","","Zhao, Bo-Liang; Du, Da-Ming","Enantioselective Squaramide-Catalyzed Trifluoromethylthiolation-Sulfur-Michael/Aldol Cascade Reaction: One-Pot Synthesis of CF3S-Containing Spiro Cyclopentanone-Thiochromanes.","Organic letters","2017","19","5","1036","1039","10.1021/acs.orglett.6b03846","","","0.71073","MoKα","","0.0353","0.0327","","","0.0695","0.0708","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545571","11.5223","0.0005","11.5593","0.0005","14.854","0.0006","109.544","0.002","94.088","0.002","113.055","0.002","1668.16","0.13","170","2","170","","","","","","","","","3","P 1","P 1","1","","","","- C63 H101 O23 -","- C63 H101 O23 -","- C63 H101 O23 -","1","1","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","1.54178","CuKα","","0.0422","0.0363","","","0.0906","0.0942","","","","","","1.026","","","","has coordinates","196136","2020-10-21","18:00:00",""
"1545773","8.7678","0.0002","10.7305","0.0002","10.8657","0.0002","67.757","0.001","88.911","0.001","87.411","0.001","945.24","0.03","130","","130","","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 F3 O3 -","- C22 H19 F3 O3 -","- C44 H38 F6 O6 -","2","2","","Zhang, Junliang; Zhou, Wei; Wang, Hua-Min; Tao, Mengna; Zhu, Chao-Ze; Lin, Tao-Yan","Phosphine-catalyzed Enantioselective [3+2] Cycloadditions of -Substituted Allenoates with β-Perfluoroalkyl Enones","Chem. Sci.","2017","","","","","10.1039/C7SC01432E","","","1.54178","CuKα","","0.0391","0.0383","","","0.1088","0.1102","","","","","","0.898","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545887","7.3394","0.0005","12.4108","0.0008","14.7998","0.0013","107.312","0.005","100.068","0.005","91.14","0.005","1263.48","0.17","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 N2 O10 -","- C28 H28 N2 O10 -","- C56 H56 N4 O20 -","2","2","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","1.54178","CuKα","","0.051","0.0466","","","0.1219","0.1261","","","","","","1.037","","","","has coordinates","195826","2020-10-21","18:00:00",""
"1546200","14.9136","0.0006","14.9888","0.0006","22.7918","0.0009","97.926","0.002","93.125","0.002","114.454","0.002","4558.1","0.3","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C30.5 H60.33333 O5.83333 -","- C30.6667 H54.3333 O5.66667 -","- C184 H326 O34 -","6","6","","Niu, Biao; Ke, Chang-Qiang; Li, Bo-Han; Li, Yuanyuan; Yi, Yongji; Luo, Yongwei; Shuai, Lin; Yao, Sheng; Lin, Li-Gen; Li, Jia; Ye, Yang","Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity.","Journal of natural products","2017","80","5","1428","1435","10.1021/acs.jnatprod.6b01086","","","1.54178","CuKα","","0.0896","0.0824","","","0.213","0.2199","","","","","","1.066","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1546516","5.0215","0.0005","8.6681","0.0009","12.6928","0.0013","80.344","0.001","83.072","0.001","88.4","0.001","540.66","0.1","90","","90","","","","","","","","","5","P 1","P 1","1","","","","- C11 H12 F3 N O -","- C11 H12 F3 N O -","- C22 H24 F6 N2 O2 -","2","2","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0211","0.021","","","0.0544","0.0545","","","","","","1.087","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546664","12.8083","0.0008","14.637","0.001","18.9082","0.0012","106.916","0.002","98.406","0.002","110.635","0.002","3048.9","0.4","147","2","147","2","","","","","","","","8","P 1","P 1","1","","Chloridocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(diphenylphosphanyl)ethyl]-<i>N</i>'-[2-(dicyclohexylphosphanyl)ethylidenyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","","- C67 H72 B Br Fe N2 O P2 -","- C67 H72 B Br Fe N2 O P2 -","- C134 H144 B2 Br2 Fe2 N4 O2 P4 -","2","2","HB4129","Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Bromidocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(dicyclohexylphosphanyl)ethylidenyl]-<i>N</i>'-[2-(diphenylphosphanyl)ethyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","IUCrData","2017","2","3","x170452","","10.1107/S2414314617004527","","","0.71073","MoKα","","0.0544","0.0403","","","0.0834","0.0892","","","","","","1.039","","","","has coordinates,has Fobs","199258","2020-10-21","18:00:00",""
"1546750","11.301","0.002","14.448","0.003","19.278","0.004","110.941","0.005","97.709","0.006","101.33","0.005","2809.8","1","151","2","151","2","","","","","","","","8","P 1","P 1","1","","","","- C71 H60 B Br Fe N2 O P2 -","- C71 H60 B Br Fe N2 O P2 -","- C142 H120 B2 Br2 Fe2 N4 O2 P4 -","2","2","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","0.71073","MoKα","","0.134","0.0543","","","0.0715","0.0881","","","","","","0.939","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546779","6.6282","0.00013","12.7871","0.0002","29.3443","0.0005","81.5019","0.0014","84.6748","0.0015","75.0869","0.0016","2373.02","0.07","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C100 H148 F4 O20 -","4","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0396","0.0375","","","0.1066","0.1087","","","","","","1.031","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546958","5.088","0.0001","11.946","0.0002","23.4043","0.0003","90","","90","","90","","1422.54","0.04","","","","","","","","","","","","3","P 1","P 1","1","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C18 H16 O5 -","1","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547020","7.3804","0.0017","9.68","0.002","16.898","0.004","87.64","0.02","86.23","0.02","89.091","0.019","1203.5","0.5","290.92","0.1","290.92","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","2","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.1574","0.0652","","","0.1866","0.2182","","","","","","0.912","","","","has coordinates","200529","2020-10-21","18:00:00",""
"1547024","10.9576","0.0003","10.9859","0.0003","13.5339","0.0005","99.194","0.003","98.907","0.003","102.923","0.002","1536.48","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","4","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.069","0.0683","","","0.1722","0.1736","","","","","","1.06","","","","has coordinates","200533","2020-10-21","18:00:00",""
"1547081","8.8973","0.0005","10.3854","0.0006","10.5682","0.0005","113.149","0.002","92.819","0.002","112.907","0.002","803.17","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","2","","Bernar, Ivan; Fiser, Béla; Blanco-Ania, Daniel; Gómez-Bengoa, Enrique; Rutjes, Floris P. J. T.","Pd-Catalyzed Hydroamination of Alkoxyallenes with Azole Heterocycles: Examples and Mechanistic Proposal.","Organic letters","2017","19","16","4211","4214","10.1021/acs.orglett.7b01826","","","0.71073","MoKα","","0.0476","0.0429","","","0.1156","0.12","","","","","","1.027","","","","has coordinates","200599","2020-10-21","18:00:00",""
"1547089","5.8603","0.0002","8.7507","0.0003","19.9834","0.0006","95.115","0.002","90.454","0.002","97.456","0.002","1011.87","0.06","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H25 N3 O7 S -","- C19 H25 N3 O7 S -","- C38 H50 N6 O14 S2 -","2","2","","Prasad, Sure Siva; Senthilkumar, Soundararasu; Srivastava, Akriti; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycosides and Divergent Synthesis of Bicyclic Iminosugars.","Organic letters","2017","19","16","4403","4406","10.1021/acs.orglett.7b02175","","","0.71073","MoKα","","0.0412","0.0377","","","0.0948","0.0976","","","","","","1.048","","","","has coordinates,has disorder","200607","2020-10-21","18:00:00",""
"1547093","7.5","0.007","10.984","0.01","12.966","0.012","79.535","0.012","87.356","0.011","75.611","0.01","1017.4","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H22 N2 O7 -","- C21 H22 N2 O7 -","- C42 H44 N4 O14 -","2","2","","Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.","Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.","Organic letters","2017","19","13","3346","3349","10.1021/acs.orglett.7b01161","","","0.71073","MoKα","","0.1368","0.0722","","","0.1502","0.1833","","","","","","1.016","","","","has coordinates","200611","2020-10-21","18:00:00",""
"1547125","7.2089","0.0018","8.081","0.002","20.594","0.006","81.103","0.009","84.522","0.012","84.478","0.011","1175.8","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H26 N4 O5 -","- C26 H26 N4 O5 -","- C52 H52 N8 O10 -","2","2","","Kadam, Abhishek A.; Ellern, Arkady; Stanley, Levi M.","Enantioselective, Palladium-Catalyzed Conjugate Additions of Arylboronic Acids to Form Bis-benzylic Quaternary Stereocenters.","Organic letters","2017","19","15","4062","4065","10.1021/acs.orglett.7b01825","","","1.54178","CuKα","","0.0399","0.034","","","0.0889","0.0927","","","","","","1.038","","","","has coordinates","200643","2020-10-21","18:00:00",""
"1547230","8.4979","0.0012","9.606","0.0013","9.7613","0.0013","90.716","0.002","105.714","0.002","100.679","0.002","752.1","0.18","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","2","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0329","0.0312","","","0.0845","0.0873","","","","","","1.001","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547565","8.198","0.003","10.441","0.004","13.934","0.005","101.832","0.007","96.687","0.009","104.041","0.008","1115","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","1","1","","Panchal, Santosh P.; Anand, Venkataramanarao G.","Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation.","Organic letters","2017","19","18","4854","4857","10.1021/acs.orglett.7b02317","","","0.71073","MoKα","","0.1227","0.0843","","","0.2099","0.2298","","","","","","1.342","","","","has coordinates","201716","2020-10-21","18:00:00",""
"1547567","7.8451","0.0004","8.3042","0.0004","11.06","0.0006","76.583","0.002","88.533","0.002","75.925","0.002","679.46","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C30 H28 O6 S2 -","2","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0451","0.0414","","","0.1217","0.1269","","","","","","1.032","","","","has coordinates","201718","2020-10-21","18:00:00",""
"1547576","7.04","0.009","7.063","0.009","10.762","0.013","83.24","0.02","79.64","0.02","79.5","0.02","515.6","1.1","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","1","1","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0835","0.077","","","0.2095","0.2247","","","","","","1.062","","","","has coordinates","201727","2020-10-21","18:00:00",""
"1547701","5.8465","0.0001","9.7587","0.0002","9.8846","0.0002","89.343","0.0011","87.738","0.0012","86.3034","0.0012","562.324","0.019","100","","100","","","","","","","","","5","P 1","P 1","1","166HC","","","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","1","1","","Horwitz, Matthew A.; Fulton, Jennifer L.; Johnson, Jeffrey S.","Enantio- and Diastereoselective Organocatalytic Conjugate Additions of Nitroalkanes to Enone Diesters.","Organic letters","2017","19","21","5783","5785","10.1021/acs.orglett.7b02735","","","0.71073","MoKα","","0.028","0.0253","","","0.0493","0.05","","","","","","0.879","","","","has coordinates","202851","2020-10-21","18:00:00",""
"1547853","9.0112","0.0003","9.8045","0.0005","10.2163","0.0004","89.964","0.003","78.459","0.003","76.61","0.004","859.33","0.06","145","1","145","1","","","","","","","","4","P 1","P 1","1","(-)-Eburnamine","","","- C19.5 H27 N2 O2 -","- C19.5 H27 N2 O2 -","- C39 H54 N4 O4 -","2","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.033","0.0327","","","0.0887","0.0891","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547893","11.0081","0.001","11.0439","0.0011","20.174","0.002","81.37","0.006","78.531","0.005","80.367","0.006","2352.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H72.5 N7 O13.25 -","- C41 H61 N7 O13.25 -","- C82 H122 N14 O26.5 -","2","2","","Sudipta Mondal; Maxim Varenik; Daniel Nir Bloch; Yoav Atsmon-Raz; Guy Jacoby; Lihi Adler-Abramovich; Linda J.W. Shimon; Roy Beck; Yifat Miller; Oren Regev; Ehud Gazit","A minimal length rigid helical peptide motif allows rational design of modular surfactants","Nature Communications","2017","8","","14018","","10.1038/ncomms14018","","","0.71073","MoKα","","0.0826","0.0556","","","0.1123","0.1266","","","","","","1.028","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547898","12.3498","0.0008","16.4651","0.0011","35.607","0.002","80.016","0.003","81.571","0.003","85.031","0.003","7039.7","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H50 Al2 Cl12 Mg3 O10 -","- C20 H50 Al2 Cl12 Mg3 O10 -","- C120 H300 Al12 Cl72 Mg18 O60 -","6","6","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.1419","0.1387","","","0.3562","0.3586","","","","","","1.049","","","","has coordinates,has disorder","203992","2020-10-21","18:00:00",""
"1547925","6.1157","0.0005","7.6877","0.0007","35.725","0.003","88.193","0.009","85.251","0.006","82.371","0.005","1658.7","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","60473-70","gene596","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","4","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.2116","0.1609","","","0.3742","0.4076","","","","","","1.08","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1548037","4.9205","0.001","11.812","0.002","14.637","0.003","99.369","0.007","93.376","0.007","98.82","0.007","826.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","1","1","","Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit","Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides","Nature Communications","2016","7","","13482","","10.1038/ncomms13482","","","0.7","synchrotron","","0.0472","0.047","","","0.1255","0.1257","","","","","","1.029","","","","has coordinates,has disorder","203162","2020-10-21","18:00:00",""
"1548075","10.9738","0.0004","11.9313","0.0004","12.6146","0.0006","118.021","0.003","108.361","0.004","96.476","0.003","1315.07","0.12","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H80 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","1","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0494","0.0454","","","0.1157","0.1189","","","","","","1.076","","","","has coordinates,has disorder","203258","2020-10-21","18:00:00",""
"1548294","4.6598","0.0001","11.2839","0.0003","12.0321","0.0003","115.307","0.002","97.601","0.002","94.255","0.002","560.85","0.03","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H26 O5 S -","- C27 H26 O5 S -","- C27 H26 O5 S -","1","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.0318","0.0278","","","0.0573","0.0591","","","","","","1.029","","","","has coordinates","203756","2020-10-21","18:00:00",""
"1548328","7.3007","0.0019","10.496","0.007","10.861","0.001","70.26","0.08","77","0.06","81.658","0.01","761.1","0.7","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","2","","Zhang, Dewu; Guo, Jiamei; Zhang, Min; Liu, Xiao; Ba, Mingyu; Tao, Xiaoyu; Yu, Liyan; Guo, Ying; Dai, Jungui","Oxazole-Containing Diterpenoids from Cell Cultures of Salvia miltiorrhiza and Their Anti-HIV-1 Activities.","Journal of natural products","2017","80","12","3241","3246","10.1021/acs.jnatprod.7b00659","","","1.54178","CuKα","","0.0457","0.0455","","","0.1175","0.1184","","","","","","1.043","","","","has coordinates","204790","2020-10-21","18:00:00",""
"1548358","6.315","0.0002","9.3352","0.0003","11.1622","0.0005","104.386","0.002","95.464","0.002","107.774","0.002","596.44","0.04","173","2","173","2","","","","","","","","4","P 1","P 1","1","2-methoxyestradiol chloroform solvate 1:2","17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol chloroform solvate 1:2'","","- C21 H28 Cl6 O3 -","- C21 H28 Cl6 O3 -","- C21 H28 Cl6 O3 -","1","1","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.037","0.0296","","","0.0682","0.0715","","","","","","1.023","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1548386","12.278","0.003","25.145","0.005","12.408","0.003","90","0.03","117.31","0.03","90","0.03","3403.7","1.6","173.15","","173.15","","","","","","","","","7","P 1","P 1","1","","","","- C58 H53 Ag5 F6 N17 O6 S2 -","- C58 H53 Ag5 F6 N17 O6 S2 -","- C116 H106 Ag10 F12 N34 O12 S4 -","2","2","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0954","0.0889","","","0.218","0.226","","","","","","1.027","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548394","27.72","","27.72","","39.4","","90","","90","","120","","26218.8","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi441 Mn273 O987 -","1","1","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203972","2020-10-21","18:00:00",""
"1548395","27.72","","27.72","","78.8","","90","","90","","120","","52437.7","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi882 Mn546 O1974 -","2","2","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203973","2020-10-21","18:00:00",""
"1548480","5.0728","0.0003","14.5938","0.0007","15.1058","0.0008","83.648","0.003","81.203","0.003","83.714","0.003","1093.47","0.1","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H16 N O3 -","- C10 H16 N O3 -","- C40 H64 N4 O12 -","4","4","","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","","","1.54178","CuKα","","0.0708","0.0664","","","0.2111","0.2158","","","","","","1.112","","","","has coordinates","204348","2020-10-21","18:00:00",""
"1548513","9.3123","0.0002","11.7835","0.0002","11.8236","0.0002","117.449","0.002","110.752","0.002","94.972","0.002","1026.64","0.05","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C44 H60 O10 -","2","2","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0336","0.0327","","","0.0899","0.0906","","","","","","1.033","","","","has coordinates","204420","2020-10-21","18:00:00",""
"1548563","10.6277","0.001","11.3209","0.0011","15.3086","0.0015","70.82","0.002","77.972","0.002","66.025","0.002","1583.5","0.3","","","140","","","","","","","","","6","P 1","P 1","1","","","","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","1","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.04","","","0.134","","","","","","","1.02","","","","has coordinates","204654","2020-10-21","18:00:00",""
"1548657","4.681","0.0005","6.1091","0.0007","14.2048","0.0016","100.603","0.008","92.652","0.008","94.55","0.009","397.25","0.08","100","2","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","1","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0517","0.0485","","","0.1197","0.1266","","","","","","1.111","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548693","7.988","0.002","9.116","0.003","11.625","0.003","86.69","0.006","73.837","0.014","80.279","0.012","801.3","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C22 H42 Br4 Cu2 N6 O2 S2 -","- C22 H42 Br4 Cu2 N6 O2 S2 -","- C22 H42 Br4 Cu2 N6 O2 S2 -","1","1","","Musabbir A. Saeed; Douglas R. Powell; Md. Alamgir Hossain","Fluorescent detection of phosphate anion by a highly selective chemosensor in water","Tetrahedron Letters","2010","51","","4904","4907","10.1016/j.tetlet.2010.07.078","","","0.71073","MoKα","","0.0644","0.0474","","","0.1008","0.106","","","","","","1.005","","","","has coordinates,has disorder","205255","2020-10-21","18:00:00",""
"1548838","7.4225","0.0005","16.5812","0.001","21.1102","0.0014","82.789","0.003","85.375","0.003","84.403","0.003","2559.1","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C18 H26 N4 O6 S -","- C18 H26 N4 O6 S -","- C72 H104 N16 O24 S4 -","4","4","","Lee, Jisun; Joullié, Madeleine M","Total synthesis of the reported structure of ceanothine D <i>via</i> a novel macrocyclization strategy.","Chemical science","2018","9","9","2432","2436","10.1039/c8sc00234g","","","0.71073","MoKα","","0.0702","0.0659","","","0.167","0.1696","","","","","","1.073","","","","has coordinates","228799","2020-10-21","18:00:00",""
"1549283","10.4248","0.0007","12.9027","0.0009","15.4799","0.0011","101.302","0.002","105.089","0.002","113.446","0.002","1735.7","0.2","100","2","100","2","","","","","","","","9","P 1","P 1","1","","[CoTptBuPhIO][BArF4]","","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","1","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.029","0.0256","","","0.0518","0.0528","","","","","","1.036","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549395","10.5005","0.001","10.5156","0.001","11.1246","0.001","83.611","0.002","66.854","0.002","74.875","0.002","1090.31","0.18","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","1","1","","Li, Xi-Li; Zhu, Cancan; Rong, Qixiang; Wei, Jiahao; Li, Ruixue; Liu, Cai-Ming","A pair of mononuclear Dy(iii) enantiomers showing single-ion magnetic and ferroelectric properties","New Journal of Chemistry","2018","42","13","10906","","10.1039/C8NJ01659C","","","0.71073","MoKα","","0.0282","0.0279","","","0.0761","0.0835","","","","","","1.021","","","","has coordinates","230393","2020-10-21","18:00:00",""
"1549396","10.4994","0.001","10.5083","0.001","11.1201","0.001","83.608","0.002","66.819","0.001","74.881","0.002","1088.75","0.18","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","1","1","","Li, Xi-Li; Zhu, Cancan; Rong, Qixiang; Wei, Jiahao; Li, Ruixue; Liu, Cai-Ming","A pair of mononuclear Dy(iii) enantiomers showing single-ion magnetic and ferroelectric properties","New Journal of Chemistry","2018","42","13","10906","","10.1039/C8NJ01659C","","","0.71073","MoKα","","0.0293","0.0275","","","0.0756","0.0966","","","","","","1.045","","","","has coordinates","230393","2020-10-21","18:00:00",""
"1549425","8.8976","0.0003","9.7399","0.0003","15.4155","0.0005","93.972","0.001","99.602","0.001","107.215","0.001","1248.19","0.07","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C26 H40 N2 O6 -","- C26 H40 N2 O6 -","- C52 H80 N4 O12 -","2","2","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","","1.54178","CuKα","","0.0342","0.034","","","0.0939","0.0941","","","","","","1.03","","","","has coordinates","228827","2020-10-21","18:00:00",""
"1549588","6.7562","0.0004","7.5182","0.0005","8.7692","0.0005","107.83","0.0018","98.976","0.0017","113.06","0.0018","370.28","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C17 H16 O2 Se -","1","1","","García-López, Diego; Civit, Marc G.; Vogels, Christopher M.; Ricart, Josep M.; Westcott, Stephen A.; Fernández, Elena; Carbó, Jorge J.","Understanding the mechanism of transition metal-free anti addition to alkynes: the selenoboration case","Catalysis Science & Technology","2018","8","14","3617","","10.1039/C7CY02295F","","","0.71073","MoKα","","0.0198","0.0187","","","0.0573","0.0729","","","","","","1.303","","","","has coordinates","227973","2020-10-21","18:00:00",""
"1549842","8.8042","0.0017","13.872","0.003","15.012","0.003","113.273","0.004","91.702","0.004","108.265","0.004","1574.4","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0908","0.068","","","0.1582","0.1702","","","","","","1.04","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549843","8.933","0.01","14.009","0.016","15.07","0.016","113.024","0.014","91.175","0.016","108.218","0.015","1627","3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1236","0.1365","","","","","","1.023","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549844","8.7198","0.0004","13.8688","0.0007","15.15","0.0008","112.076","0.001","90.143","0.001","106.456","0.001","1615.99","0.14","450","2","450","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0577","0.0495","","","0.141","0.1499","","","","","","1.049","","","","has coordinates,has disorder","228665","2020-10-21","18:00:00",""
"1549845","8.6715","0.0005","13.689","0.0008","15.1994","0.0008","112.725","0.002","90.764","0.002","106.662","0.002","1578.49","0.16","300","2","300","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.046","0.0379","","","0.0917","0.0956","","","","","","1.046","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549846","8.8606","0.0007","13.9125","0.001","14.9455","0.0011","65.422","0.002","87.897","0.002","71.56","0.002","1579.8","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0523","0.0457","","","0.1108","0.115","","","","","","1.001","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549847","8.6306","0.0004","13.5529","0.0007","15.2106","0.0008","113.16","0.001","91.252","0.001","106.863","0.001","1546.66","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0799","0.0721","","","0.1842","0.2117","","","","","","1.089","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549849","6.25857","0.00015","10.36","0.0006","11.9013","0.0006","64.561","0.005","87.812","0.003","84.16","0.003","693.22","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","1","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0522","0.0466","","","0.1286","0.1324","","","","","","1.046","","","","has coordinates,has disorder","228696","2020-10-21","18:00:00",""
"1549899","5.859","0.005","7.479","0.006","16.329","0.014","93.818","0.012","91.29","0.03","94.252","0.01","711.7","1","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C30 H28 N8 O6 -","2","2","TK4050","Wang, Zhaodong; Ni, Haitao","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","IUCrData","2018","3","9","x181230","","10.1107/S2414314618012300","","","0.71073","MoKα","","0.0705","0.0501","","","0.099","0.106","","","","","","1.118","","","","has coordinates,has Fobs","210559","2020-10-21","18:00:00",""
"1550004","11.6429","0.0004","11.6834","0.0004","12.0655","0.0004","97.981","0.002","101.382","0.002","98.8","0.002","1565.64","0.09","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","1","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0918","0.0539","","","0.1199","0.1377","","","","","","1.023","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550211","10.235","0.002","10.796","0.002","20.224","0.005","92.916","0.007","103.825","0.007","90.9","0.006","2166.2","0.8","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C23 H26 B F2 N O4 -","- C23 H26 B F2 N O4 -","- C92 H104 B4 F8 N4 O16 -","4","4","","Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi","Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters","Chemical Science","2019","","","","","10.1039/C8SC04026E","","","0.71075","MoKα","","0.2796","0.1338","","","0.3003","0.3931","","","","","","0.956","","","","has coordinates","211872","2020-10-21","18:00:00",""
"1550336","4.8011","0.0002","6.5522","0.0003","7.5052","0.0003","93.618","0.002","107.044","0.002","95.658","0.002","223.575","0.017","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C9 H11 N O3 -","1","1","FY2132","Baillargeon, Pierre; Rahem, Tarik; Amigo, Carl; Fortin, Daniel; Dory, Yves L.","Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group","IUCrData","2018","3","12","x181630","","10.1107/S2414314618016309","","","1.54178","CuKα","","0.0548","0.0515","","","0.1447","0.154","","","","","","1.115","","","","has coordinates,has Fobs","212403","2020-10-21","18:00:00",""
"1550423","9.1177","0.001","10.6349","0.0006","13.6347","0.0015","84.797","0.007","86.884","0.009","73.337","0.007","1260.8","0.2","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C60 H46 N8 O7 -","- C60 H46 N8 O7 -","- C60 H46 N8 O7 -","1","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.1785","0.1382","","","0.3522","0.3942","","","","","","1.378","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550449","8.7929","0.0001","12.6645","0.0001","23.7867","0.0002","82.3345","0.0007","81.4117","0.0007","89.9824","0.0007","2595.2","0.04","160","","160","","","","","","","","","6","P 1","P 1","1","","","","- C22 H32 N2 O9.5 P S -","- C22 H32 N2 O9.5 P S -","- C88 H128 N8 O38 P4 S4 -","4","4","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0519","0.0488","","0.1283","0.1259","0.1283","","","","","","0.9968","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550455","5.8213","0.00007","7.27088","0.00008","15.90214","0.00013","94.7215","0.0008","96.6693","0.0008","109.525","0.0011","624.781","0.012","159.99","0.1","159.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C24 H38 N2 O8 -","- C24 H38 N2 O8 -","- C24 H38 N2 O8 -","1","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0275","0.027","","","0.0733","0.0735","","","","","","1.063","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550598","5.17375","","8.98502","","7.35224","","91.6843","","105.128","","89.7549","","329.789","","","","","","","","","","","","","4","P 1","P 1","1","","","Kaolinite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","2","","Richard, D.; Rendtorff, N. M.","First principles study of structural properties and electric field gradients in kaolinite","Applied Clay Science","2019","169","","67","73","10.1016/j.clay.2018.12.013","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","213663","2020-10-21","18:00:00",""
"1550837","10.1957","0.0004","12.2494","0.0005","23.2226","0.001","92.193","0.003","93.573","0.003","106.021","0.003","2777.6","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N4 O2 -","- C32 H40 N4 O2 -","- C128 H160 N16 O8 -","4","4","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.0849","0.0735","","","0.1941","0.2046","","","","","","1.057","","","","has coordinates","214492","2020-10-21","18:00:00",""
"1550876","12.7","0.003","12.756","0.003","43.4","0.009","81.58","0.03","88.39","0.03","60.36","0.03","6037","3","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C56 H56 Li2 N4 P2 -","- C56 H56 Li2 N4 P2 -","- C280 H280 Li10 N20 P10 -","5","5","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0594","0.037","","","0.0759","0.0817","","","","","","0.962","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1551315","8.583","0.0004","39.2492","0.0005","12.5425","0.0011","90","","90","","90","","4225.3","0.4","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe4 O5 -","- Fe48 O60 -","- Fe192 O240 -","4","4","","Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky","Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation","Nature Chemistry","2016","8","","501","508","10.1038/nchem.2478","","","","","","","","","","","","","","","","","","","","","has coordinates","215812","2020-10-21","18:00:00",""
"1551345","18.008","0.004","18.419","0.004","30.513","0.006","78.68","0.03","88.33","0.03","65.83","0.03","9039","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","1","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85001","","","0.1212","0.1019","","","0.2438","0.2527","","","","","","1.824","","","","has coordinates,has disorder","215842","2020-10-21","18:00:00",""
"1551346","25.286","0.005","26.901","0.005","27.418","0.006","108.71","0.03","107.77","0.03","109.81","0.03","14718","10","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 N18 O21 -","- C112 H104 N18 O21 -","- C448 H416 N72 O84 -","4","4","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1282","0.1021","","","0.2517","0.2747","","","","","","0.949","","","","has coordinates","215843","2020-10-21","18:00:00",""
"1551384","17.018","0.003","19.782","0.004","33.512","0.007","81.76","0.03","88.25","0.03","82.41","0.03","11067","4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C206 H209 N40 O40 -","- C205.5 H208.5 N40.5 O40 -","- C411 H417 N81 O80 -","2","2","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.8","synchrotron","","0.2522","0.1217","","","0.2979","0.4099","","","","","","1.135","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551582","6.914","0.0005","7.7202","0.0005","8.7383","0.0007","79.467","0.006","73.033","0.005","67.106","0.005","409.71","0.05","138","","138","","","","","","","","","4","P 1","P 1","1","","","","- C12 H25 N O13 -","- C12 H25 N O13 -","- C12 H25 N O13 -","1","1","","FUJIMOTO, Takashi; NISHIO, Toshiyuku; HOSAKA, Hiroki; MIZOGUCHI, Saori; TASHIRO, Mitsuru","Crystal Structure of β-D-Fructofuranosyl-[2↔1]-6-amido-6-deoxy-α-D-glucopyranoside","X-ray Structure Analysis Online","2017","33","0","63","","10.2116/xraystruct.33.63","","","0.71075","MoKα","","","0.0264","","","","0.0836","","","","","","1.013","","","","has coordinates","216192","2020-10-21","18:00:00",""
"1551593","9.6898","0.0002","10.4576","0.0003","21.0199","0.0003","83.6336","0.0017","89.3963","0.0015","73.819","0.002","2032.53","0.08","119.98","0.1","119.98","","","","","","","","","6","P 1","P 1","1","","","","- C18 H21 Cl3 N3 O2.202 P -","- C18 H21 Cl3 N3 O2.2025 P -","- C72 H84 Cl12 N12 O8.81 P4 -","4","4","","ARIANI, Maral; POURAYOUBI, Mehrdad; DUŠEK, Michal; VAHDANI ALVIRI, Banafsheh; EIGNER, Václav; DAMODARAN, Krishnan","Synthesis, Spectroscopic Study and Crystal Structure of a New Single-Enantiomer C(O)NHP(O)-based Phosphoric Triamide, CCl<sub>3</sub>C(O)NHP(O)[(R)-(+)-NHCH(CH<sub>3</sub>)(C<sub>6</sub>H<sub>5</sub>)]<sub>2</sub>·0.25H<sub>2</sub>O","X-ray Structure Analysis Online","2017","33","0","17","","10.2116/xraystruct.33.17","","x-ray","1.54184","CuKα","","0.0655","0.0578","","","0.1435","0.1511","","","","2.02","2.02","1.9","","","","has coordinates","216203","2020-10-21","18:00:00",""
"1551641","12.2123","0.0015","12.5684","0.0016","12.9841","0.0016","100.526","0.002","107.424","0.0019","116.156","0.0019","1587.4","0.3","100","","100","","","","","","","","","6","P 1","P 1","1","","Bis(acetone-κO)-1,4,8,11-tetraazacyclotetradecane Copper(II) Ditetraphenylborate Acetone Disolvate","","- C70 H88 B2 Cu N4 O4 -","- C70 H88 B2 Cu N4 O4 -","- C70 H88 B2 Cu N4 O4 -","1","1","","MATSUI, Chihiro; OKAWARA, Toru; NAGAMURA, Toshihiko; TAKEHARA, Kenji","Crystal Structure of Bis(acetone-<i>&kappa;</i><i>O</i>)-1,4,8,11-tetraazacyclotetradecane Copper(II) Ditetraphenylborate Acetone Disolvate","X-ray Structure Analysis Online","2015","31","0","53","","10.2116/xraystruct.31.53","","","0.71073","MoKα","","0.0471","0.0392","","","0.0941","0.0999","","","","","","1.039","","","","has coordinates,has disorder","216252","2020-10-21","18:00:00",""
"1551889","8.6241","0.0001","9.7969","0.0002","18.9232","0.0003","80.469","0.002","83.314","0.001","76.243","0.002","1526.55","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H31 F14 N O Si -","- C29 H31 F14 N O Si -","- C58 H62 F28 N2 O2 Si2 -","2","2","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.0439","0.0413","","","0.122","0.1242","","","","","","1.059","","","","has coordinates","216531","2020-10-21","18:00:00",""
"1552063","8.0123","0.0004","9.5367","0.0005","12.5723","0.0007","76.698","0.004","83.324","0.004","77.616","0.004","910.87","0.09","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","1","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","","","1.54178","CuKα","","0.0465","0.0401","","","0.0962","0.1031","","","","","","1.072","","","","has coordinates","216881","2020-10-21","18:00:00",""
"1552277","6.189","","12.221","","12.196","","86.03","","75.35","","79.55","","877.396","","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","1","1","","Bisceglie, Franco; Orsoni, Nicolò; Pioli, Marianna; Bonati, Beatrice; Tarasconi, Pieralberto; Rivetti, Claudio; Amidani, Davide; Montalbano, Serena; Buschini, Annamaria; Pelosi, Giorgio","Cytotoxic activity of copper(ii), nickel(ii) and platinum(ii) thiosemicarbazone derivatives: interaction with DNA and the H2A histone peptide.","Metallomics : integrated biometal science","2019","11","10","1729","1742","10.1039/c9mt00166b","","","0.71073","MoKα","","0.0357","0.0352","","","0.0798","0.08","","","","","","1.051","","","","has coordinates,has disorder","224650","2020-10-21","18:00:00",""
"1552374","9.6336","0.0002","10.4764","0.0003","16.8374","0.0004","81.433","0.002","73.486","0.001","63.371","0.001","1455.95","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 Al F36 O4 Tl -","- C16 Al F36 O4 Tl -","- C32 Al2 F72 O8 Tl2 -","2","2","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0325","0.0305","","","0.0725","0.0738","","","","","","1.028","","","","has coordinates,has disorder","219136","2020-10-21","18:00:00",""
"1552489","5.0591","0.0001","10.9615","0.0002","13.2","0.0003","103.037","0.0011","90.846","0.0009","90.3108","0.001","713.03","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H30 F3 N7 O9 -","- C26 H30 F3 N7 O9 -","- C26 H30 F3 N7 O9 -","1","1","","Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.","High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01238","","","1.54178","CuKα","","0.0276","0.0273","","","0.0731","0.0734","","","","","","1.025","","","","has coordinates,has disorder","219593","2020-10-21","18:00:00",""
"1552492","8.9167","0.0007","11.8688","0.0012","14.75","0.0015","68.987","0.006","73.43","0.007","77.232","0.007","1384.3","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28.5 H33 F3 N O6.5 -","- C28.5 H33 F3 N O6.5 -","- C57 H66 F6 N2 O13 -","2","2","","Tshitenge, Dieudonné Tshitenge; Bruhn, Torsten; Feineis, Doris; Schmidt, David; Mudogo, Virima; Kaiser, Marcel; Brun, Reto; Würthner, Frank; Awale, Suresh; Bringmann, Gerhard","Ealamines A-H, a Series of Naphthylisoquinolines with the Rare 7,8'-Coupling Site, from the Congolese Liana <i>Ancistrocladus ealaensis</i>, Targeting Pancreatic Cancer Cells.","Journal of natural products","2019","","","","","10.1021/acs.jnatprod.9b00755","","","1.54178","CuKα","","0.0278","0.0277","","","0.0744","0.0745","","","","","","1.051","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1552558","8.6537","0.0003","8.8678","0.0003","16.7811","0.0008","77.756","0.004","82.545","0.004","68.655","0.003","1170.2","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1","P 1","1","","BGB-3111","","- C27 H29 N5 O3 -","- C27 H29 N5 O3 -","- C54 H58 N10 O6 -","2","2","","Guo, Yunhang; Liu, Ye; Hu, Nan; Yu, Desheng; Zhou, Changyou; Shi, Gongyin; Zhang, Bo; Wei, Min; Liu, Junhua; Luo, Lusong; Tang, Zhiyu; Song, Huipeng; Guo, Yin; Liu, Xuesong; Su, Dan; Zhang, Shuo; Song, Xiaomin; Zhou, Xing; Hong, Yuan; Chen, Shuaishuai; Cheng, Zhenzhen; Young, Steve; Wei, Qiang; Wang, Haisheng; Wang, Qiuwen; Lv, Lei; Wang, Fan; Xu, Haipeng; Sun, Hanzi; Xing, Haimei; Li, Na; Zhang, Wei; Wang, Zhongbo; Liu, Guodong; Sun, Zhijian; Zhou, Dongping; Li, Wei; Liu, Libin; Wang, Lai; Wang, Zhiwei","Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.","Journal of medicinal chemistry","2019","62","17","7923","7940","10.1021/acs.jmedchem.9b00687","","x-ray","1.54178","CuKα","","0.0293","0.0288","","","0.0786","0.0789","","","","","","1.031","","","","has coordinates,has disorder","222068","2020-10-21","18:00:00",""
"1552571","7.3195","0.0002","16.8609","0.0004","21.8814","0.0005","69.35","0.002","87.717","0.002","83.935","0.002","2512.8","0.11","292.4","0.2","292.4","0.2","","","","","","","","4","P 1","P 1","1","","","","- C36 H55 N O4 -","- C36 H55 N O4 -","- C108 H165 N3 O12 -","3","3","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0453","0.0432","","","0.1153","0.1178","","","","","","1.023","","","","has coordinates","222092","2020-10-21","18:00:00",""
"1552585","9.3591","0.0004","12.5274","0.0005","12.547","0.0005","74.614","0.004","88.037","0.003","88.948","0.003","1417.45","0.1","173","0.1","173","0.1","","","","","","","Euphorbia helioscopia","3","P 1","P 1","1","euphoscopin L","euphoscopin L","","- C29.75 H38.75 O7.75 -","- C29.75 H38.75 O7.75 -","- C59.5 H77.5 O15.5 -","2","2","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.037","0.0366","","","0.1046","0.1053","","","","","","1.082","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1552597","7.43158","0.0001","12.64114","0.00017","16.6155","0.0002","68.6576","0.0004","84.8142","0.0004","83.4169","0.0004","1442.29","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C32 H38 O10 -","- C32 H38 O10 -","- C64 H76 O20 -","2","2","","Solipeta, Divya Reddy; Bandi, Siva; Vemulapalli, Sahithya Phani Babu; Pallavi, Preethi M. C.; Vemireddy, Sravanthi; Balasubramania, Sridhar; Mahabalarao, Sampath Kumar H.; Katragadda, Suresh Babu","Secophragmalin-Type Limonoids from <i>Trichilia connaroides</i>: Isolation, Semisynthesis, and Their Cytotoxic Activities.","Journal of natural products","2019","82","10","2731","2743","10.1021/acs.jnatprod.9b00346","","","0.71073","MoKα","","0.0344","0.0336","","","0.0874","0.088","","","","","","1.043","","","","has coordinates","222118","2020-10-21","18:00:00",""
"1552682","6.5325","0.0003","7.8576","0.0005","8.6225","0.0005","109.428","0.006","94.781","0.004","113.321","0.005","371.29","0.05","100.2","0.9","100.2","0.9","","","","","","","","3","P 1","P 1","1","Arbophyllidine","","","- C19 H20 N2 -","- C19 H20 N2 -","- C19 H20 N2 -","1","1","","Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from <i>Kopsia arborea</i>.","Journal of natural products","2019","82","7","1902","1907","10.1021/acs.jnatprod.9b00255","","","0.71073","MoKα","","0.0471","0.0427","","","0.1052","0.1102","","","","","","1.058","","","","has coordinates","222207","2020-10-21","18:00:00",""
"1552705","6.4002","0.0003","7.3244","0.0004","15.8163","0.0009","76.713","0.001","85.687","0.001","65.123","0.001","654.44","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H51 N O2 -","- C31 H51 N O2 -","- C31 H51 N O2 -","1","1","","Kazakova, Oxana B.; Khusnutdinova, Elmira F.; Petrova, Anastasiya V.; Yamansarov, Emil Yu; Lobov, Alexander N.; Fedorova, Alexandra A.; Suponitsky, Kyrill Yu","Diastereoselective Synthesis of Triterpenoid 1,2,4-Trioxolanes by Griesbaum Co-ozonolysis.","Journal of natural products","2019","82","9","2550","2558","10.1021/acs.jnatprod.9b00393","","","0.71073","MoKα","","0.0513","0.0429","","","0.1055","0.1125","","","","","","1.038","","","","has coordinates","222231","2020-10-21","18:00:00",""
"1552712","7.3973","0.0005","11.0738","0.0008","12.082","0.0009","69.81","0.001","77.629","0.001","77.212","0.001","895.52","0.11","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C40 H40 O10 -","2","2","","Paguigan, Noemi D.; Rivera-Chávez, José; Stempin, Justin J.; Augustinović, Mario; Noras, Aleksandra I.; Raja, Huzefa A.; Todd, Daniel A.; Triplett, Kathleen D.; Day, Cynthia; Figueroa, Mario; Hall, Pamela R.; Cech, Nadja B.; Oberlies, Nicholas H.","Prenylated Diresorcinols Inhibit Bacterial Quorum Sensing.","Journal of natural products","2019","82","3","550","558","10.1021/acs.jnatprod.8b00925","","","0.71073","MoKα","","0.0607","0.0463","","","0.1151","0.123","","","","","","1.04","","","","has coordinates","222238","2020-10-21","18:00:00",""
"1552944","6.0631","0.0001","9.7279","0.0002","11.3631","0.0002","89.483","0.001","87.316","0.002","77.462","0.002","653.51","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C30 H45 N4 O2 -","- C30 H44 N4 O2 -","- C30 H44 N4 O2 -","1","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","","1.54178","CuKα","","0.0408","0.0403","","","0.1063","0.1072","","","","","","1.051","","","","has coordinates","231092","2020-10-21","18:00:00",""
"1552945","8.4347","0.0001","8.6934","0.0001","9.8006","0.0001","101.982","0.001","95.217","0.001","96.552","0.001","693.518","0.014","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C31 H48 N4 O3 -","- C31 H48 N4 O3 -","- C31 H48 N4 O3 -","1","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","","1.54184","CuKα","","0.0618","0.0617","","","0.1656","0.1657","","","","","","1.048","","","","has coordinates","231093","2020-10-21","18:00:00",""
"1552972","6.4951","0.0015","9.549","0.002","15.501","0.004","81.333","0.005","86.707","0.005","74.351","0.005","915","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H21 B Br O P -","- C17 H21 B Br O P -","- C34 H42 B2 Br2 O2 P2 -","2","2","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0789","0.0552","","","0.1448","0.1598","","","","","","1.019","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1553294","6.3429","0.0001","7.2295","0.0001","22.835","0.0004","86.897","0.001","87.866","0.001","68.166","0.001","970.42","0.03","170","2","170","2","","","","","","","","4","P 1","P 1","1","celastrusin A","29-O-caffeoyl-friedelin","","- C45 H63 N O7 -","- C45 H63 N O7 -","- C45 H63 N O7 -","1","1","","Li, Jin-Long; Wu, Lei; Wu, Jian; Feng, Hong-Xuan; Wang, Hong-Min; Fu, Yan; Zhang, Ru-Jun; Zhang, Hai-Yan; Zhao, Wei-Min","Caffeoyl Triterpenoid Esters as Potential Anti-ischemic Stroke Agents from Celastrus orbiculatus.","Journal of natural products","2016","79","11","2774","2779","10.1021/acs.jnatprod.6b00314","","","1.54178","CuKα","","0.0405","0.0379","","","0.1002","0.1024","","","","","","1.065","","","","has coordinates","234065","2020-10-21","18:00:00",""
"1553299","6.3082","0.0004","7.5108","0.0005","8.11","0.0005","88.911","0.004","85.044","0.004","77.888","0.005","374.29","0.04","120","2","120","2","","","","","","","","3","P 1","P 1","1","Pestalotioprolide B hydrate","","","- C14 H22 O6 -","- C14 H22 O6 -","- C14 H22 O6 -","1","1","","Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter","Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora.","Journal of natural products","2016","79","9","2332","2340","10.1021/acs.jnatprod.6b00473","","","1.54178","CuKα","","0.0349","0.0342","","","0.0869","0.0878","","","","","","1.026","","","","has coordinates","234071","2020-10-21","18:00:00",""
"1553335","5.0238","0.0004","5.5679","0.0004","12.8812","0.0014","99.395","0.007","94.679","0.008","105.645","0.007","339.31","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H15 Cl O7 -","- C13 H15 Cl O7 -","- C13 H15 Cl O7 -","1","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","","0.0798","0.0779","","","0.217","0.2196","","","","","","1.097","","","","has coordinates","234121","2020-10-21","18:00:00",""
"1553342","4.9","0.001","12.5","0.003","14.55","0.003","86.4","0.03","88.07","0.03","80.31","0.03","876.5","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C17 H22 O9 -","- C17 H22 O9 -","- C34 H44 O18 -","2","2","","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","0.71073","MoKα","","0.054","0.0509","","","0.1358","0.1392","","","","","","1.058","","","","has coordinates,has disorder","234134","2020-10-21","18:00:00",""
"1553348","6.5706","0.0002","7.0972","0.0002","13.8873","0.0005","103.479","0.001","90.068","0.001","105.91","0.001","604.17","0.03","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C26 H34 O8 -","1","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0458","0.0322","","","0.0826","0.0994","","","","","","1.148","","","","has coordinates","234145","2020-10-21","18:00:00",""
"1553360","8.054","0.0005","12.548","0.0007","14.0945","0.0008","115.86","0.001","94.702","0.001","102.435","0.001","1226.37","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H39 N O7 -","- C24 H35 N O7 -","- C48 H70 N2 O14 -","2","2","","Wang, Wenjing; Gong, Jiaojiao; Liu, Xiaorui; Dai, Chong; Wang, Yanyan; Li, Xiao-Nian; Wang, Jianping; Luo, Zengwei; Zhou, Yuan; Xue, Yongbo; Zhu, Hucheng; Chen, Chunmei; Zhang, Yonghui","Cytochalasans Produced by the Coculture of Aspergillus flavipes and Chaetomium globosum.","Journal of natural products","2018","81","7","1578","1587","10.1021/acs.jnatprod.8b00110","","","1.54178","CuKα","","0.0569","0.0559","","","0.1587","0.1626","","","","","","1.072","","","","has coordinates","234167","2020-10-21","18:00:00",""
"1553376","6.2785","0.0002","10.5538","0.0004","14.393","0.0004","100.197","0.003","100.924","0.003","91.722","0.003","919.64","0.05","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C42 H64 O6 -","2","2","","Zhang, Shasha; Wang, Xia; Hao, Jin; Li, Dangdang; Csuk, René; Li, Shengkun","Expediently Scalable Synthesis and Antifungal Exploration of (+)-Yahazunol and Related Meroterpenoids.","Journal of natural products","2018","81","9","2010","2017","10.1021/acs.jnatprod.8b00310","","x-ray","1.54184","CuKα","","0.0386","0.0359","","","0.0994","0.1077","","","","","","1.016","","","","has coordinates","234194","2020-10-21","18:00:00",""
"1553750","9.0047","0.0003","9.2247","0.0003","9.4826","0.0003","109.875","0.003","108.593","0.003","107.103","0.003","626.45","0.05","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","1","1","","Guo, Jing; Lin, Zi-Hui; Chen, Kai-Bin; Xie, Ying; Chan, Albert S. C.; Weng, Jiang; Lu, Gui","Asymmetric amination of 2-substituted indolin-3-ones catalyzed by natural cinchona alkaloids","Organic Chemistry Frontiers","2017","4","7","1400","","10.1039/C7QO00129K","","x-ray","1.54184","CuKα","","0.0421","0.0417","","","0.121","0.122","","","","","","1.0608","","","","has coordinates","235974","2020-10-21","18:00:00",""
"1553817","8.5679","0.0012","12.3701","0.0014","18.181","0.003","83.843","0.007","89.595","0.012","80.871","0.009","1891.4","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H16 F3 N O3 S -","- C20 H15 F3 N O3 S -","- C80 H60 F12 N4 O12 S4 -","4","4","","De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.","TBAF catalyzed one-pot synthesis of allenyl-indoles","Organic Chemistry Frontiers","2017","4","9","1849","","10.1039/C7QO00414A","","","0.71073","MoKα","","0.2446","0.0738","","","0.1707","0.2621","","","","","","0.892","","","","has coordinates","236062","2020-10-21","18:00:00",""
"1553852","8.9041","0.0004","14.0916","0.0007","16.2768","0.0008","104.121","0.004","91.824","0.004","94.954","0.004","1970.23","0.17","150","","150","","","","","","","","","5","P 1","P 1","1","","diisoindole","","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","1","1","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.0527","0.0466","","","0.1245","0.1314","","","","","","1.024","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553941","9.297","0.007","11.515","0.009","11.957","0.009","61.974","0.007","80.333","0.011","67.602","0.01","1044.6","1.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C46 H44 N4 O14 -","2","2","","Han, Jianxin; Niu, Sheng-Tong; Liu, Yushuang; Gan, Lishe; Wang, Tianfu; Lu, Chong-Dao; Yuan, Tao","Robustanoids A and B, two novel pyrrolo[2,3-b]indole alkaloids from Coffea canephora: isolation and total synthesis","Organic Chemistry Frontiers","2018","5","4","586","","10.1039/C7QO00931C","","","0.71073","MoKα","","0.0863","0.0699","","","0.1773","0.2","","","","","","1.028","","","","has coordinates","236186","2020-10-21","18:00:00",""
"1554165","10.369","0.003","10.511","0.003","16.499","0.004","94.563","0.007","96.525","0.006","114.894","0.006","1604.3","0.8","90","2","90","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H48 N O P -","- C37 H48 N O P -","- C74 H96 N2 O2 P2 -","2","2","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Addition-Isomerization Polymerization of Chiral Phosphaalkenes: Observation of Styrene‒Phosphaalkene Linkages in a Random Copolymer","Macromolecules","2016","49","11","4067","","10.1021/acs.macromol.6b00667","","x-ray","0.71073","MoKα","","0.0642","0.0467","","","0.1071","0.1161","","","","","","1.019","","","","has coordinates,has disorder","236710","2020-10-21","18:00:00",""
"1554236","8.886","0.004","10.971","0.005","11.261","0.005","64.477","0.007","78.704","0.007","77.452","0.008","960.5","0.8","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H20 S -","- C25 H20 S -","- C50 H40 S2 -","2","2","","Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen","Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment","Materials Chemistry Frontiers","2019","3","1","32","","10.1039/C8QM00411K","","","0.71073","MoKα","","0.0974","0.054","","","0.1427","0.1856","","","","","","1.04","","","","has coordinates,has disorder","237046","2020-10-21","18:00:00",""
"1554254","13.986","0.0008","14.019","0.0008","28.0285","0.0013","98.119","0.003","91.053","0.003","90.157","0.003","5439.5","0.5","273","2","273","2","","","","","","","","3","P 1","P 1","1","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C224 H288 O64 -","8","8","","Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua","Asperones A‒E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1‒15","Organic Chemistry Frontiers","2018","5","16","2432","","10.1039/C8QO00070K","","","1.54178","CuKα","","0.1592","0.1102","","","0.2928","0.3537","","","","","","1.147","","","","has coordinates","237068","2020-10-21","18:00:00",""
"1554273","10.54064","0.00016","14.6009","0.0003","14.9312","0.0002","62.0192","0.0018","84.9082","0.0013","68.8864","0.0016","1884.1","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C77.37 H93.1 N4 O24 -","- C77.364 H93.132 N4 O24 -","- C77.364 H93.132 N4 O24 -","1","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54184","CuKα","","0.051","0.0506","","","0.1346","0.135","","","","","","1.02","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554324","9.2007","0.0002","9.2791","0.0004","14.237","0.0005","97.598","0.003","91.193","0.003","97.349","0.003","1194.02","0.07","139","","139","","","","","","","","","7","P 1","P 1","1","","","","- C31 H56 F6 Mg N4 O14 S2 -","- C31 H56 F6 Mg N4 O14 S2 -","- C31 H56 F6 Mg N4 O14 S2 -","1","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","1.54184","CuKα","","0.0653","0.061","","","0.1662","0.1745","","","","","","1.023","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554425","6.6841","0.0006","8.7074","0.0008","14.4482","0.0013","87.391","0.003","81.591","0.002","78.532","0.003","815.14","0.13","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 Br F O2 -","- C18 H16 Br F O2 -","- C36 H32 Br2 F2 O4 -","2","2","","Cao, Zhong-Yan; Wang, Wenmin; Liao, Kui; Wang, Xiaoming; Zhou, Jian; Ma, Jing","Catalytic enantioselective synthesis of cyclopropanes featuring vicinal all-carbon quaternary stereocenters with a CH2F group; study of the influence of C‒F⋯H‒N interactions on reactivity","Organic Chemistry Frontiers","2018","5","20","2960","","10.1039/C8QO00842F","","","0.71073","MoKα","","0.0577","0.0518","","","0.1409","0.1463","","","","","","1.065","","","","has coordinates","237226","2020-10-21","18:00:00",""
"1554500","6.0253","0.0006","9.0011","0.0009","10.3679","0.0011","75.005","0.003","76.437","0.003","89.09","0.003","527.4","0.09","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H22 N O2 P -","- C27 H22 N O2 P -","- C27 H22 N O2 P -","1","1","","Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping","Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides","Organic Chemistry Frontiers","2019","6","2","236","","10.1039/C8QO01098F","","","0.71073","MoKα","","0.0488","0.0427","","","0.085","0.0879","","","","","","1.067","","","","has coordinates","237291","2020-10-21","18:00:00",""
"1554573","6.9308","0.0008","6.9507","0.0008","11.8464","0.0014","84.194","0.006","79.023","0.006","64.094","0.006","503.84","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C20 H26 N2 O6 -","2","2","","Yang, Wu-Lin; Sun, Zhong-Tao; Zhang, Jian; Li, Zhong; Deng, Wei-Ping","Enantioselective synthesis of 3-amino-hydrobenzofuran-2,5-diones via Cu(i)-catalyzed intramolecular conjugate addition of imino esters","Organic Chemistry Frontiers","2019","6","5","579","","10.1039/C8QO01335G","","","1.54178","CuKα","","0.0598","0.0514","","","0.1367","0.1453","","","","","","1.068","","","","has coordinates","237360","2020-10-21","18:00:00",""
"1554676","12.1382","0.0002","12.8179","0.0003","15.1854","0.0003","85.684","0.002","78.373","0.002","89.276","0.002","2307.59","0.08","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","(R)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","4","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0537","0.0494","","","0.1369","0.1442","","","","","","1.033","","","","has coordinates","238037","2020-10-21","18:00:00",""
"1554678","12.135","0.0002","12.8327","0.0002","15.1864","0.0002","85.785","0.001","78.371","0.001","89.345","0.001","2310.08","0.06","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","(S)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","4","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.0783","0.0789","","","","","","1.03","","","","has coordinates","238037","2020-10-21","18:00:00",""
"1554735","9.3743","0.0005","13.379","0.0007","14.9327","0.0008","81.008","0.001","89.658","0.001","80.276","0.001","1822.85","0.17","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C32 H33 Cl3 N4 Ni O4 -","- C32 H33 Cl3 N4 Ni O4 -","- C64 H66 Cl6 N8 Ni2 O8 -","2","2","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.0609","0.0545","","","0.146","0.1513","","","","","","1.037","","","","has coordinates,has disorder","238086","2020-10-21","18:00:00",""
"1554885","5.0746","0.0009","14.828","0.003","16.699","0.003","65.191","0.003","89.579","0.004","80.838","0.003","1123.5","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C20 H20 Br2 Cl2 N2 O4 -","- C20 H20 Br2 Cl2 N2 O4 -","- C40 H40 Br4 Cl4 N4 O8 -","2","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","","x-ray","0.71073","MoKα","","0.1174","0.0611","","","0.1252","0.1461","","","","","","0.988","","","","has coordinates","238178","2020-10-21","18:00:00",""
"1555006","9.7073","0.0003","10.168","0.0003","14.0374","0.0004","85.597","0.002","85.998","0.002","82.306","0.002","1366.53","0.07","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C60 H70 N2 O8 -","2","2","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0522","0.0493","","0.1433","0.1377","0.1431","","","","","","0.9127","","","","has coordinates,has disorder","238268","2020-10-21","18:00:00",""
"1555007","10.4764","0.0005","10.6867","0.0005","12.3768","0.0004","85.757","0.003","70.552","0.003","69.477","0.004","1222.26","0.1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C28 H31 F2 N O2 -","- C28 H31 F2 N O2 -","- C56 H62 F4 N2 O4 -","2","2","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0561","0.0557","","0.1558","0.1549","0.1558","","","","","","0.9989","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555042","9.1302","0.0003","9.1578","0.0005","10.226","0.0004","108.986","0.004","98.417","0.003","114.037","0.004","698.83","0.07","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H38 N O5 -","- C33 H38 N O5 -","- C33 H38 N O5 -","1","1","","Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.","A chiral auxiliary-based synthesis of the C5‒C17 trans-decalin framework of anthracimycin","Organic Chemistry Frontiers","2019","6","16","2954","","10.1039/C9QO00769E","","","1.54184","CuKα","","0.0448","0.0436","","","0.1154","0.1169","","","","","","1.054","","","","has coordinates","238290","2020-10-21","18:00:00",""
"1555113","10.596","0.0005","11.6796","0.0005","12.6988","0.0006","69.855","0.004","70.549","0.004","88.791","0.004","1383.42","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H25 Cl N2 O5 -","- C33 H25 Cl N2 O5 -","- C66 H50 Cl2 N4 O10 -","2","2","","Wang, Zhen-Hua; Lei, Chuan-Wen; Zhang, Xia-Yan; You, Yong; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Asymmetric domino 1,6-addition/annulation reaction of 3-cyano-4-alkenyl-2H-chromen-2-ones with isatin-derived MBH carbonates: enantioselective synthesis of 3,3′-cyclopentenylspirooxindoles bearing 2H-chromen-2-ones","Organic Chemistry Frontiers","2019","6","19","3342","","10.1039/C9QO00890J","","x-ray","1.54184","CuKα","","0.0499","0.0449","","","0.1108","0.1165","","","","","","1.051","","","","has coordinates","238328","2020-10-21","18:00:00",""
"1555114","8.6291","0.0003","9.4332","0.0003","12.4474","0.0004","82.659","0.003","70.506","0.003","68.236","0.003","887.04","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H23 N O5 S -","- C18 H23 N O5 S -","- C36 H46 N2 O10 S2 -","2","2","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0445","0.0436","","","0.1158","0.1167","","","","","","1.08","","","","has coordinates","238329","2020-10-21","18:00:00",""
"1555129","7.0302","0.0007","7.6119","0.0008","7.7844","0.0009","94.191","0.009","109.731","0.01","97.56","0.009","385.61","0.08","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C7.5 H15 O2 -","- C7.5 H15 O2 -","- C15 H30 O4 -","2","2","","Song, Yin-Ping; Miao, Feng-Ping; Yin, Xiu-Li; Ji, Nai-Yun","Nitrogenous cyclonerane sesquiterpenes from an algicolous strain of Trichoderma asperellum","Organic Chemistry Frontiers","2019","6","21","3698","","10.1039/C9QO00942F","","","1.54178","CuKα","","0.0322","0.0315","","","0.0858","0.0865","","","","","","1.092","","","","has coordinates","238340","2020-10-21","18:00:00",""
"1555277","15.4725","0.0013","16.0538","0.0014","16.749","0.003","107.8","0.002","106.461","0.002","106.157","0.002","3482.3","0.8","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-gVNM-gVNM-gVNM-OEt","Boc-gVNM-gVNM-gVNM-OEt","","- C32.33333 H57.66667 N6 O12.66667 -","- C32.3333 H57.6667 N6 O12.6667 -","- C97 H173 N18 O38 -","3","3","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.1225","0.0678","","","0.1875","0.2276","","","","","","0.699","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555328","8.4125","0.0004","9.7659","0.0005","11.5692","0.0006","108.577","0.003","95.876","0.003","110.228","0.003","820.9","0.08","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C35 H30 Br F N4 O4 -","- C35 H30 Br F N4 O4 -","- C35 H30 Br F N4 O4 -","1","1","","Bao, Xiaoze; Wang, Baomin; Cui, Longchen; Zhu, Guodong; He, Yuli; Qu, Jingping; Song, Yuming","An Organocatalytic Asymmetric Friedel-Crafts Addition/Fluorination Sequence: Construction of Oxindole-Pyrazolone Conjugates Bearing Vicinal Tetrasubstituted Stereocenters.","Organic letters","2015","17","21","5168","5171","10.1021/acs.orglett.5b02470","","","0.71073","MoKα","","0.043","0.0366","","","0.0948","0.098","","","","","","1.04","","","","has coordinates","238490","2020-10-21","18:00:00",""
"1555545","12.7971","0.0003","12.8656","0.0003","14.0933","0.0003","88.968","0.001","86.108","0.001","66.582","0.001","2124.21","0.09","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C96 H100 N4 O16 -","4","4","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","1.54178","CuKα","","0.0313","0.0307","","","0.0827","0.0833","","","","","","1.02","","","","has coordinates","238881","2020-10-21","18:00:00",""
"1555571","5.9846","0.0016","7.913","0.002","12.691","0.003","99.814","0.01","95.953","0.009","107.509","0.01","557","0.2","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(4aS,4bR,6R,10bR)-8,9-dimethoxy-1,1,4a,10b-tetramethyl-7-nitro-1,2,3,4,4a,4b,5,6,10b,11,12,12a,-dodecahydrochrysen-6-ol","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C24 H35 N O5 -","1","1","","Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari","Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues.","Organic letters","2016","18","11","2684","2687","10.1021/acs.orglett.6b01145","","","0.71073","MoKα","","0.096","0.0617","","","0.13","0.1429","","","","","","1.049","","","","has coordinates","238906","2020-10-21","18:00:00",""
"1555592","11.2057","0.0008","15.2204","0.0014","18.506","0.002","71.165","0.006","81.596","0.006","89.993","0.006","2951.5","0.5","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C66 H66 O12 P2 -","- C66 H64.5 O12 P2 -","- C132 H129 O24 P4 -","2","2","","Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien","A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates.","Organic letters","2016","18","13","3162","3165","10.1021/acs.orglett.6b01374","","x-ray","1.54178","CuKα","","0.1512","0.1275","","","0.2978","0.32","","","","","","1.069","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555681","9.4486","0.0003","11.0765","0.0003","16.057","0.0005","73.497","0.002","87.912","0.002","72.63","0.002","1535.63","0.08","100","2","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C27.5 H23.5 Br Cl1.5 N2 O8 -","- C27.5 H23.5 Br Cl1.5 N2 O8 -","- C55 H47 Br2 Cl3 N4 O16 -","2","2","","Bender, Trandon A.; Dabrowski, Jennifer A.; Zhong, Hongyu; Gagné, Michel R","Diastereoselective B(C6F5)3-Catalyzed Reductive Carbocyclization of Unsaturated Carbohydrates.","Organic letters","2016","18","16","4120","4123","10.1021/acs.orglett.6b02050","","","1.54178","CuKα","","0.0549","0.0462","","","0.1161","0.1215","","","","","","1.034","","","","has coordinates","239011","2020-10-21","18:00:00",""
"1555793","7.9207","0.0011","9.0758","0.0012","11.1924","0.0015","80.79","0.008","71.85","0.008","65.087","0.007","693.02","0.17","170","2","170","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H22 Br2 N2 O4 S2 -","- C30 H22 Br2 N2 O4 S2 -","- C30 H22 Br2 N2 O4 S2 -","1","1","","Seo, Boram; Kim, Ya Gob; Lee, Phil Ho","Synthesis of Isothiazole via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Nitriles.","Organic letters","2016","18","19","5050","5053","10.1021/acs.orglett.6b02499","","","0.71073","MoKα","","0.0783","0.0435","","","0.0848","0.0968","","","","","","1.008","","","","has coordinates","239123","2020-10-21","18:00:00",""
"1555826","7.6607","0.0007","9.2315","0.0007","11.127","0.0008","72.019","0.007","79.887","0.007","74.428","0.007","717.29","0.11","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","2","","Zhu, Gongming; Bao, Guangjun; Li, Yiping; Yang, Junxian; Sun, Wangsheng; Li, Jing; Hong, Liang; Wang, Rui","Chiral Phosphoric Acid Catalyzed Asymmetric Oxidative Dearomatization of Naphthols with Quinones.","Organic letters","2016","18","20","5288","5291","10.1021/acs.orglett.6b02609","","x-ray","1.54184","CuKα","","0.0699","0.0429","","","0.0958","0.1185","","","","","","1.056","","","","has coordinates","239154","2020-10-21","18:00:00",""
"1555870","7.0663","0.0004","8.3624","0.0005","8.9048","0.0007","115.442","0.007","109.848","0.006","92.591","0.005","435.48","0.06","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C20 H21 N O2 -","1","1","","Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts.","Organic letters","2016","18","21","5540","5543","10.1021/acs.orglett.6b02785","","x-ray","1.54184","CuKα","","0.0673","0.0669","","","0.1472","0.1484","","","","","","1.125","","","","has coordinates","239195","2020-10-21","18:00:00",""
"1556027","10.6689","0.001","10.8762","0.001","18.2817","0.0017","83.457","0.001","84.152","0.001","77.519","0.001","2051.2","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H37 N5 O S Zn -","- C51 H37 N5 O S Zn -","- C102 H74 N10 O2 S2 Zn2 -","2","2","","Gholami, Hadi; Zhang, Jun; Anyika, Mercy; Borhan, Babak","Absolute Stereochemical Determination of Asymmetric Sulfoxides via Central to Axial Induction of Chirality.","Organic letters","2017","19","7","1722","1725","10.1021/acs.orglett.7b00495","","","0.71073","MoKα","","0.0517","0.0415","","","0.1007","0.1067","","","","","","0.994","","","","has coordinates","239348","2020-10-21","18:00:00",""
"1556114","9.0186","0.001","10.1685","0.0011","10.338","0.0012","106.26","0.007","92.413","0.008","114.734","0.007","812.73","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","'(R)-(+)-2-Butyl-1-(2-chlorophenyl)-2,5,6,7- tetrahydro[2]pyrindin-3-one'","","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C36 H40 Cl2 N2 O2 -","2","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed chemo-, regio-, and enantioselective [2 + 2 + 2] cycloaddition of alkynes with isocyanates.","Organic letters","2005","7","21","4737","4739","10.1021/ol052041b","","","1.5418","CuKα","","0.0633","0.0538","","","0.1548","0.169","","","","","","0.996","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1556140","5.7264","0.0005","7.5889","0.0007","21.5174","0.0019","91.997","0.002","94.434","0.002","90.306","0.002","931.69","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H21 Cl O4 -","- C22 H21 Cl O4 -","- C44 H42 Cl2 O8 -","2","2","","Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo","Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.","Organic letters","2013","15","1","220","223","10.1021/ol303312p","","","0.71073","MoKα","","0.0543","0.0536","","","0.1439","0.145","","","","","","1.036","","","","has coordinates","243497","2020-10-21","18:00:00",""
"1556221","5.9898","0.0008","9.7098","0.0013","12.2465","0.0018","90.307","0.012","91.544","0.012","99.152","0.011","702.9","0.17","104","","104","","","","","","","","","4","P 1","P 1","1","","","","- C32 H37 Br O5 -","- C32 H37 Br O5 -","- C32 H37 Br O5 -","1","1","","Ma, Shuang-Gang; Gao, Rong-Mei; Li, Yu-Huan; Jiang, Jian-Dong; Gong, Ning-Bo; Li, Li; Lü, Yang; Tang, Wen-Zhao; Liu, Yun-Bao; Qu, Jing; Lü, Hai-Ning; Li, Yong; Yu, Shi-Shan","Antiviral spirooliganones A and B with unprecedented skeletons from the roots of Illicium oligandrum.","Organic letters","2013","15","17","4450","4453","10.1021/ol401992s","","","1.5418","CuKα","","0.0336","0.0335","","","0.0868","0.0869","","","","","","1.036","","","","has coordinates","243574","2020-10-21","18:00:00",""
"1556228","8.2523","0.0005","9.66","0.0006","15.0901","0.0009","79.648","0.004","84.413","0.004","82.507","0.004","1169.88","0.12","120","2","120","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C24 H31 N O3 S2 -","- C24 H31 N O3 S2 -","- C48 H62 N2 O6 S4 -","2","2","","Fernández de la Pradilla, Roberto; Simal, Carmen; Bates, Robert H.; Viso, Alma; Infantes, Lourdes","Sulfoxide-directed enantioselective synthesis of functionalized tetrahydropyridines.","Organic letters","2013","15","19","4936","4939","10.1021/ol402141d","","","1.54178","CuKα","","0.1326","0.121","","","0.3148","0.3321","","","","","","1.425","","","","has coordinates","243581","2020-10-21","18:00:00",""
"1556327","8.1693","0.0008","9.1162","0.001","22.9935","0.0007","93.592","0.003","91.806","0.005","89.939","0.006","1708.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C30 H56 Cl2 N4 O2 Pd -","- C30 H56 Cl2 N4 O2 Pd -","- C60 H112 Cl4 N8 O4 Pd2 -","2","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","x-ray","0.71073","MoKα","","0.1022","0.0759","","","0.1632","0.182","","","","","","1.016","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556334","13.136","0.003","13.405","0.003","14.779","0.003","85.58","0.03","68.44","0.03","68.06","0.03","2239.6","1.1","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0611","0.053","","","0.1311","0.1332","","","","","","1.017","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556339","12.416","0.003","12.444","0.003","18.186","0.004","95.81","0.03","94.37","0.03","111.98","0.03","2572.3","1.2","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H86 B F4 O2 P6 Rh3 -","- C36 H84 B F4 O2 P6 Rh3 -","- C72 H168 B2 F8 O4 P12 Rh6 -","2","2","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0324","0.0256","","","0.0513","0.052","","","","","","0.971","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556340","9.6676","0.0019","12.005","0.002","12.658","0.003","109.83","0.03","94.19","0.03","90.56","0.03","1377.3","0.6","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0274","0.0236","","","0.0486","0.049","","","","","","0.991","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556871","10.5317","0.0015","14.347","0.002","17.434","0.003","76.71","0.005","80.147","0.004","84.826","0.004","2522.3","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H27 F20 Fe N5 -","- C59 H27 F20 Fe N5 -","- C118 H54 F40 Fe2 N10 -","2","2","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1307","0.0898","","","0.2437","0.2779","","","","","","1.082","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1557030","14.3953","0.0004","18.2606","0.0005","25.8315","0.0007","73.784","0.001","74.37","0.002","66.821","0.001","5895.1","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H22 Al2 F74 Mg N6 O8 -","- C50 H22 Al2 F74 Mg N6 O8 -","- C150 H66 Al6 F222 Mg3 N18 O24 -","3","3","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0722","0.0511","","","0.1185","0.1294","","","","","","1.04","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557185","10.1492","0.0004","10.1392","0.0004","25.2626","0.0011","96.515","0.001","96.515","0.001","107.35","","2435.42","0.17","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 F4 N5 O5 -","- C25 H23 F4 N5 O5 -","- C100 H92 F16 N20 O20 -","4","4","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0361","0.0342","","","0.0853","0.0873","","","","","","1.043","","","","has coordinates","247353","2020-10-21","18:00:00",""
"1557202","6.3062","0.0001","7.6848","0.0001","9.7183","0.0002","87.904","0.001","80.198","0.001","87.694","0.001","463.505","0.014","99.99","0.11","99.99","0.11","","","","","","","","3","P 1","P 1","1","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C21 H26 O5 -","1","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0283","0.0271","","","0.0699","0.0725","","","","","","1.058","","","","has coordinates","247417","2020-10-21","18:00:00",""
"1557260","7.661","0.002","10.19","0.003","5.807","0.002","93.58","0.01","101.37","0.02","81.3","0.2","439.1","0.3","","","293","","","","","","","","","3","P 1","P 1","1","mer-[Cr(NH3)3(N3)3}","","","- Cr H9 N12 -","- Cr N12 -","- Cr2 N24 -","2","2","","Dossing, Anders; Engberg, Pernille; Hazell, Rita","Crystal Structures and Nitrosation Reactions of Triamminetriazido Complexes of Chromium(III)","Acta Chemica Scandinavica","1997","51","","849","854","10.3891/acta.chem.scand.51-0849","","x-ray","0.71073","MoKα","","","0.054","","","0.067","","","","","","","4.11","","","","has coordinates","247911","2020-10-21","18:00:00",""
"1557272","8.505","0.0003","9.1711","0.0004","10.7701","0.0004","100.159","0.001","99.818","0.001","90.932","0.001","813.86","0.05","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C35 H40 O12 -","- C35 H40 O12 -","- C35 H40 O12 -","1","1","","Fu, Yifan; Zhao, Weimin","Polyesterified Sesquiterpenoids from the Seeds of <i>Celastrus paniculatus</i> as Lifespan-Extending Agents for the Nematode <i>Caenorhabditis elegans</i>.","Journal of natural products","2020","83","2","505","515","10.1021/acs.jnatprod.9b01199","","","1.54178","CuKα","","0.0409","0.0407","","","0.1084","0.1087","","","","","","1.064","","","","has coordinates","248714","2020-10-21","18:00:00",""
"1557332","14.334","0.002","15.534","0.002","16.891","0.002","69.752","0.004","70.947","0.004","76.995","0.003","3308.6","0.7","113","2","113","2","","","","","","","","4","P 1","P 1","1","rcct-3","","","- C112.95 H130.95 Cl15.56 O28 -","- C112.956 H130.956 Cl15.578 O28 -","- C112.956 H130.956 Cl15.578 O28 -","1","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.141","0.1284","","","0.3328","0.3532","","","","","","1.636","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557371","7.1378","0.0002","9.8466","0.0002","14.7942","0.0003","88.9786","0.0016","79.0044","0.0017","74.6213","0.0019","983.56","0.04","93","2","93","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C54 H38 N2 O6 -","2","2","","Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi","Accurate chiral pattern recognition for amines from just a single chemosensor","Chemical Science","2020","11","15","3790","3796","10.1039/D0SC00194E","","","0.71073","MoKα","","0.0368","0.0337","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","257387","2020-10-21","18:00:00",""
"1557467","10.9521","0.0009","12.1033","0.0011","12.578","0.0011","115.914","0.004","92.683","0.001","110.251","0.003","1367.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","1","1","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua","Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","7","1393","1400","10.1039/C9PY01901D","","","0.71073","MoKα","","0.099","0.089","","","0.2086","0.2179","","","","","","1.023","","","","has coordinates,has disorder","257946","2020-10-21","18:00:00",""
"1557726","8.0381","0.0003","8.1691","0.0003","8.3951","0.0003","85.2736","0.0016","71.5044","0.0015","61.7748","0.0014","459.11","0.03","100","2","100","2","","","","","","","","7","P 1","P 1","1","Webb/GKY-41 [HMeThia][RuCl4(dmso)(MeThia)]","","","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","1","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0179","0.0179","","","0.0494","0.0495","","","","","","1.059","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557888","8.6811","0.0003","9.5462","0.0002","10.951","0.0004","69.576","0.003","84.021","0.003","68.822","0.003","792.79","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H19 Cl O6 -","- C16 H19 Cl O6 -","- C32 H38 Cl2 O12 -","2","2","","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","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.068","0.0681","","","","","","1.067","","","","has coordinates","251103","2020-10-21","18:00:00",""
"1558175","6.0571","0.0001","10.1647","0.0001","14.3715","0.0002","103.628","0.001","98.272","0.001","101.112","0.001","827.01","0.02","93.15","","93.15","","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C38 H46 N6 O4 -","2","2","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0368","0.0356","","","0.0957","0.0966","","","","","","1.081","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558329","5.5734","0.0004","9.2537","0.0009","14.2547","0.0012","91.995","0.007","99.103","0.006","95.567","0.007","721.56","0.11","296","1","296","1","","","","","","","","5","P 1","P 1","1","","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","1","1","BX4018","Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","IUCrData","2020","5","6","x200788","","10.1107/S2414314620007889","","x-ray","0.56083","AgKα","","0.0606","0.0476","","","0.1275","0.1344","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","253204","2020-10-21","18:00:00",""
"1558411","6.398","0.001","14.807","0.003","16.109","0.002","75.33","0.01","82.974","0.002","81.03","0.02","1452.8","0.4","","","122","","","","","","","","","4","P 1","P 1","1","(S)-1-Phenylethylammonium (R)-Mandelate","","","- C16 H19 N O3 -","- C16 N O3 -","- C64 N4 O12 -","4","4","","de Diego, Heidi Lopez","Crystal Structure of (S)-1-Phenylethylammonium (R)-Mandelate and a Comparison of Diastereomeric Mandelate Salts of 1-Phenylethylamine","Acta Chemica Scandinavica","1994","48","","306","311","10.3891/acta.chem.scand.48-0306","","x-ray","1.54184","CuKα","","","0.0449","","","","0.1178","","","","","","1.075","","","","has coordinates","253440","2020-10-21","18:00:00",""
"1558661","10.715","0.002","11.6367","0.0016","14.6771","0.0016","110.288","0.011","110.241","0.013","91.134","0.013","1590.1","0.5","190","2","190","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C69 H102 O12 -","3","3","","Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai","Myrcaulones A‒C, Unusual Rearranged Triketone‒Terpene Adducts from Myrciaria cauliflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00283","","","1.54184","CuKα","","0.1496","0.1277","","","0.3099","0.352","","","","","","1.216","","","","has coordinates","254557","2020-10-21","18:00:00",""
"1558670","8.6196","0.0007","10.2451","0.0007","12.2006","0.0008","106.432","0.004","94.759","0.004","90.868","0.004","1029.01","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.0796","0.0493","","","0.1142","0.1285","","","","","","1.05","","","","has coordinates,has disorder","254633","2020-10-21","18:00:00",""
"1558671","9.4358","0.0006","10.0861","0.0006","11.3101","0.0007","94.68","0.003","91.031","0.003","97.524","0.004","1063.11","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.1154","0.0723","","","0.1777","0.2225","","","","","","1.15","","","","has coordinates","254634","2020-10-21","18:00:00",""
"1558672","8.6295","0.0005","10.2499","0.0005","12.1993","0.0007","106.366","0.003","94.675","0.003","90.873","0.003","1031.06","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.045","0.0376","","","0.083","0.0866","","","","","","1.094","","","","has coordinates,has disorder","254635","2020-10-21","18:00:00",""
"1558733","9.8526","0.0004","10.9313","0.0004","18.774","0.0012","92.519","0.004","103.594","0.005","95.61","0.003","1951.25","0.17","130","","130","","","","","","","","","7","P 1","P 1","1","","","","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","1","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0843","0.0675","","","0.1551","0.1667","","","","","","1.003","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1559131","8.6358","0.0013","9.3834","0.0015","9.8633","0.0015","74.596","0.006","86.938","0.009","68.597","0.009","716.6","0.2","170","2","170.02","","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","","Zhang, Jing-Fang; Zhong, Wan-Chao; Li, Yan-Cheng; Song, Yun-Qing; Xia, Gui-Yang; Tian, Gui-Hua; Ge, Guang-Bo; Lin, Sheng","Bioactivity-Guided Discovery of Human Carboxylesterase Inhibitors from the Roots of Paeonia lactiflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00464","","","1.34139","GaKα","","0.0724","0.0666","","","0.1808","0.1881","","","","","","1.053","","","","has coordinates","256584","2020-10-21","18:00:00",""
"1559262","8.0071","0.0003","10.1293","0.0004","20.8919","0.0009","84.188","0.004","80.126","0.004","89.579","0.003","1660.7","0.12","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C66 H100 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0997","0.0616","","","0.1437","0.1601","","","","","","1.012","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559263","6.9816","0.0002","7.0672","0.0016","7.8911","0.0018","81.9415","0.0019","73.77","0.002","62.844","0.003","332.59","0.11","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C15 H18 O6 -","1","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0341","0.0325","","","0.0862","0.087","","","","","","1.063","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559265","7.9046","0.0003","10.2052","0.0004","17.7713","0.0013","96.518","0.007","91.665","0.007","90.773","0.006","1423.5","0.13","203","2","203","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0599","0.0505","","","0.1246","0.1519","","","","","","1.108","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559659","5.93","0.001","10.095","0.002","10.946","0.002","70.69","0.02","81.62","0.02","89.86","0.02","611.1","0.2","","","296","","","","","","","","","4","P 1","P 1","1","(R)-(‒)-1,1-Diphenyl-3-piperidiniobutan-1-ol (R,R)-tartrate","","","- C25 H33 N O7 -","- C25 N O7 -","- C25 N O7 -","1","1","","Schjelderup, Lise; Groth, Per A.; Aasen, Arne Jorgen","(R)-(‒)-1,1-Diphenyl-3-piperidinobutan-1-ol, an Anticholinergic Agent. The Crystal Structure of (R)-(‒)-1,1-Diphenyl-3-piperidiniobutan-1-ol (R,R)-tartrate","Acta Chemica Scandinavica","1990","44","","284","287","10.3891/acta.chem.scand.44-0284","","x-ray","0.71069","MoKα","","","0.076","","","0.056","","","","","","","","","","","has coordinates","259352","2020-11-30","09:15:39",""
"1559734","4.9505","0.0002","8.582","0.0003","19.942","0.0006","88.027","0.002","85.435","0.002","89.121","0.002","843.98","0.05","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H20 Br Cl N2 O2 -","- C15 H20 Br Cl N2 O2 -","- C30 H40 Br2 Cl2 N4 O4 -","2","2","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.0586","0.0489","","","0.1146","0.1207","","","","","","1.05","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559815","6.44725","0.00004","10.18619","0.00006","22.76512","0.00012","101.785","0.0005","91.4615","0.0005","98.5773","0.0005","1444.75","0.015","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","","Ethyl 2-((8R,9S,13S,14S,16S,17S)-17-((tert-butyldimethylsilyl)oxy)-3-methoxy- 13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C58 H92 O8 Si2 -","2","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0528","0.0501","","","0.138","0.1512","","","","","","1.081","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1560041","7.7162","0.0008","8.9727","0.0009","16.9089","0.0017","86.559","0.006","78.838","0.006","66.314","0.005","1051.59","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C40 H44 N8 O16 -","2","2","YC5029","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0673","0.0477","","","0.1004","0.1272","","","","","","1.052","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560126","8.6935","0.0002","11.1218","0.0002","12.2142","0.0002","87.376","0.001","70.785","0.002","81.619","0.001","1103.26","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C50 H36 O4 -","2","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0607","0.0603","","","0.1552","0.1562","","","","","","1.079","","","","has coordinates","263668","2021-04-05","14:13:48",""
"1560262","16.268","0.003","17.763","0.003","23.082","0.004","87.715","0.01","81.35","0.01","66.621","0.009","6051.3","1.9","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C228 H292 Cl8 N8 O14 P8 Ru4 -","4","4","","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","","0.1214","0.0836","","","0.2425","0.2708","","","","","","1.062","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560266","13.3642","0.0003","15.0349","0.0003","18.4697","0.0004","89.212","0.001","76.738","0.001","66.771","0.001","3307.09","0.13","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","1","1","","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","","0.0361","0.0317","","","0.0901","0.0926","","","","","","1.052","","","","has coordinates,has disorder","264853","2021-05-05","07:55:41",""
"1560319","9.61","0.008","17.037","0.013","49.01","0.04","83.751","0.008","88.217","0.008","74.756","0.008","7696","11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C256 H477 N60 O72.5 -","- C256 H477 N60 O72.5 -","- C256 H477 N60 O72.5 -","1","1","","Lee, Jin Woo; Collins, Jennifer E.; Wendt, Karen L.; Chakrabarti, Debopam; Cichewicz, Robert H.","Leveraging Peptaibol Biosynthetic Promiscuity for Next-Generation Antiplasmodial Therapeutics.","Journal of natural products","2021","84","2","503","517","10.1021/acs.jnatprod.0c01370","","","0.71073","MoKα","","0.1839","0.1296","","","0.2855","0.327","","","","","","0.997","","","","has coordinates,has disorder","262447","2021-03-04","02:55:22",""
"1560434","9.7879","0.0011","9.792","0.0011","12.7226","0.0015","96.074","0.004","112.33","0.003","94.08","0.004","1113.4","0.2","303","2","303","2","","","","","","","","5","P 1","P 1","1","barium boron aluminum silicon nitride","","","- Al4 B2 Ba5 N52 Si32 -","- Al3.9996 B2 Ba5 N52 Si32.0012 -","- Al3.9996 B2 Ba5 N52 Si32.0012 -","1","1","","Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto","Synthesis and crystal structure of a new aluminum-silicon-nitride phosphor containing boron, Ba 5 B 2 Al 4 Si 32 N 52 :Eu","Journal of Solid State Chemistry","2017","251","","43","49","10.1016/j.jssc.2017.03.028","","","0.71073","MoKα","","0.0591","0.0584","","","0.1561","0.1568","","","","","","1.069","","","","has coordinates","262009","2021-02-16","10:52:10",""
"1561140","13.563","0.0006","13.5719","0.0006","13.6512","0.0006","93.044","0.001","110.683","0.001","108.354","0.001","2192.77","0.17","293","2","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C78 H92 Co3 N12 O33 P2 -","- C78 H92 Co3 N12 O33 P2 -","- C78 H92 Co3 N12 O33 P2 -","1","1","","Huo, Liangqin; Fan, Liming; Zhang, Jie; Gao, Lingling; Zhai, Lijun; Wang, Xiaoqing; Hu, Tuoping","Three novel coordination polymers based on tris(p-carboxyphenyl)phosphane oxide: Syntheses, structural characterization and magnetic properties","Journal of Solid State Chemistry","2018","261","","37","42","10.1016/j.jssc.2018.02.007","","","0.71076","MoKα","","0.1063","0.0605","","","0.1117","0.1286","","","","","","1.009","","","","has coordinates","263164","2021-03-19","08:22:49",""
"1562031","7.9985","0.0011","9.7296","0.0014","10.8506","0.0015","84.315","0.002","78.168","0.002","75.064","0.002","797.6","0.19","173","2","173.15","","","","","","","","","5","P 1","P 1","1","","","","- C30 H26 Cu3 N3 O21.5 -","- C30 H26 Cu3 N3 O21.5 -","- C30 H26 Cu3 N3 O21.5 -","1","1","","Mizzi, Jessica E.; Staples, Richard J.; LaDuca, Robert L.","Temperature-dependent polymorphism and magnetic properties of three-dimensional copper pyromellitate coordination polymers containing 4,4′-dipyridylamine","Journal of Solid State Chemistry","2015","225","","222","230","10.1016/j.jssc.2014.12.021","","","0.71073","MoKα","","0.0932","0.0675","","","0.16","0.1737","","","","","","0.97","","","","has coordinates,has disorder","264461","2021-04-23","08:46:55",""
"1562056","9.5944","0.0003","12.7606","0.0004","18.0312","0.0006","73.9951","0.0018","79.1246","0.0018","75.2203","0.0017","2035.09","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","Quinine dihydrochloride monohydrate","4-[(5-Ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)(hydroxy)methyl]-6-methoxyquinolin-1-ium dichloride hemihydrate","","- C40 H54 Cl4 N4 O5 -","- C40 H54 Cl4 N4 O5 -","- C80 H108 Cl8 N8 O10 -","2","2","BV4036","Anderson, Grace I.; Bellia, Sophia; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Quinine dihydrochloride hemihydrate","IUCrData","2021","6","4","x210406","","10.1107/S2414314621004065","","","0.71073","MoKα","","0.0552","0.0379","","","0.0826","0.0898","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","264502","2021-04-24","05:19:38",""
"1562172","10.0882","0.0002","11.6472","0.0002","14.4851","0.0003","101.004","0.002","106.6","0.002","96.185","0.002","1577.07","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","4","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0361","0.0353","","","0.0928","0.0933","","","","","","1.068","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562348","11.938","0.003","12.782","0.003","12.925","0.003","118.386","0.007","92.327","0.009","114.237","0.008","1512.3","0.7","100","","100","","","","","","","","","3","P 1","P 1","1","","NATPP0097","","- C33.5 H40 O11.5 -","- C33.5 H40 O11.5 -","- C67 H80 O23 -","2","2","","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~","0.0455","0.0448","","","0.1312","0.1323","","","","","","1.038","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562542","9.8531","0.0002","10.0264","0.0001","11.2177","0.0002","96.693","0.001","102.932","0.002","106.655","0.002","1015.23","0.03","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C42 H64 O12 -","2","2","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54184","CuKα","","0.0385","0.0368","","","0.1025","0.1042","","","","","","1.065","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562986","11.567","0.002","12.931","0.003","13.907","0.003","85.52","0.03","80.98","0.03","76.13","0.03","1992.7","0.8","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C58 H41 Cd2 Cl2 N10 O40 P W12 -","- C58 H40 Cd2 Cl2 N10 O40 P W12 -","- C58 H40 Cd2 Cl2 N10 O40 P W12 -","1","1","","Wang, La-Mei; Fan, Yong; Wang, Yan; Xiao, Li-Na; Hu, Yang-Yang; Peng, Yu; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","First examples of hybrids based on polyoxometalates, metal halide clusters and organic ligands","Journal of Solid State Chemistry","2012","191","","257","262","10.1016/j.jssc.2012.03.033","","","0.71073","MoKα","","0.0863","0.0439","","","0.1037","0.1274","","","","","","1.032","","","","has coordinates","265626","2021-05-31","07:54:46",""
"1563495","9.6981","0.0003","9.9966","0.0002","10.5523","0.0002","117.194","0.001","113.551","0.001","92.216","0.001","802.85","0.04","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C10 H16 N2 O28 U5 V4 -","- C10 N2 O28 U5 V4 -","- C10 N2 O28 U5 V4 -","1","1","","Jouffret, Laurent; Shao, Zhenmian; Rivenet, Murielle; Abraham, Francis","New three-dimensional inorganic frameworks based on the uranophane-type sheet in monoamine templated uranyl-vanadates","Journal of Solid State Chemistry","2010","183","10","2290","2297","10.1016/j.jssc.2010.07.035","","","0.71069","MoKα","","0.0407","0.0306","","","0.0265","0.0277","","","","1.02","1.02","0.97","","","","has coordinates","266470","2021-06-15","08:24:10",""
"1563513","7.9053","0.0002","11.7211","0.0002","15.0873","0.0004","111.667","0.001","95.073","0.001","102.134","0.001","1248.78","0.05","293","2","293","","","","","","","","","4","P 1","P 1","1","","","","- C48 H24 Ce4 O26 -","- C48 H24 Ce4 O26 -","- C48 H24 Ce4 O26 -","1","1","","Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis","Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3","Journal of Solid State Chemistry","2010","183","9","1943","1948","10.1016/j.jssc.2010.06.021","","","0.71069","MoKα","","0.0658","0.0502","","","0.0515","0.0528","","","","2.62","2.62","2.44","","","","has coordinates","266486","2021-06-16","08:08:16",""
"1563515","7.889","0.003","11.57","0.004","15.105","0.005","111.54","0.02","95.57","0.03","101.54","0.02","1234.3","0.8","293","1","293","","","","","","","","","4","P 1","P 1","1","","","","- C48 H24 Nd4 O28 -","- C48 H24 Nd4 O28 -","- C48 H24 Nd4 O28 -","1","1","","Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis","Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3","Journal of Solid State Chemistry","2010","183","9","1943","1948","10.1016/j.jssc.2010.06.021","","","0.71069","MoKα","","0.0724","0.0671","","","0.0921","0.0944","","","","2.14","2.14","2.13","","","","has coordinates","266486","2021-06-16","08:08:17",""
"1563560","7.4494","0.0004","9.7601","0.0004","11.3665","0.0006","76.475","0.004","86.519","0.004","67.953","0.004","744.41","0.07","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C30 H56 O6 -","2","2","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [15,15,15-2H3]-Dihydroartemisinic Acid and Isotope Studies Support a Mixed Mechanism in the Endoperoxide Formation to Artemisinin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00246","","x-ray","1.54184","CuKα","","0.07","0.0663","","","0.1495","0.1514","","","","","","1.085","","","","has coordinates","266544","2021-06-17","23:09:33",""
"1563750","6.5078","0.0007","6.7349","0.0007","25.061","0.003","88.115","0.006","87.858","0.006","68.927","0.005","1024","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","2","","Wang, Fang-Xin; Yan, Jialei; Liu, Zhixin; Zhu, Tingshun; Liu, Yingguo; Ren, Shichao; Lv, Wen-Xin; Jin, Zhichao; Chi, Yonggui Robin","Assembly of Multicyclic Isoquinoline Scaffolds from Pyridines: Formal Total Synthesis of Fredericamycin A","Chemical Science","2021","","","","","10.1039/D1SC02442F","","","1.54178","CuKα","","0.0998","0.092","","","0.2722","0.2824","","","","","","1.073","","","","has coordinates,has disorder","266757","2021-06-29","01:31:43",""
"1563799","12.8223","0.0013","12.8239","0.0009","38.138","0.003","89.966","0.002","89.948","0.003","60.027","0.002","5432.4","0.8","297","2","297","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H28 Cl6 Cu2 N2 O12 -","- C30 H28 Cl6 Cu2 N2 O12 -","- C180 H168 Cl36 Cu12 N12 O72 -","6","6","","Salman, Yeşim; Barlas, Fırat Barış; Yavuz, Murat; Kaya, Kerem; Timur, Suna; Telli, Fatma Çetin","Synthesis, characterization and biological application of dinuclear Cu(II) complexes of Schiff base ligands of galactochloralose and α-chloralose","Inorganica Chimica Acta","2018","483","","98","105","10.1016/j.ica.2018.08.010","","","0.71073","MoKα","","0.2072","0.0862","","","0.1644","0.2086","","","","","","1.07","","","","has coordinates","266813","2021-06-30","09:54:08",""
"1563979","8.2229","0.0007","10.5534","0.001","11.6684","0.0011","63.751","0.003","89.079","0.003","77.329","0.003","882.25","0.14","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H38 Cu2 N18 -","- C34 H38 Cu2 N18 -","- C34 H38 Cu2 N18 -","1","1","","Jana, Abhimanyu; Brandão, Paula; Mondal, Gopinath; Bera, Pradip; Santra, Ananyakumari; Jana, Atish Dipankar; Mokhamatam, Raveendra Babu; Manna, Sunil Kumar; Bhattacharyya, Nandan; Bera, Pulakesh","Synthesis, characterization, cytotoxicity effect and DNA cleavage study of symmetric dinuclear chloro and azido bridged copper(II) complexes of napthyl-pyrazole based ligand","Inorganica Chimica Acta","2018","482","","621","634","10.1016/j.ica.2018.06.054","","","0.71073","MoKα","","0.0238","0.0229","","","0.0609","0.0614","","","","","","1.056","","","","has coordinates","267292","2021-07-06","08:26:58",""
"1564321","26.6387","0.0009","28.6958","0.0006","36.1958","0.0012","84.231","0.002","71.432","0.003","87.032","0.002","26089.9","1.4","100","2","100","","","","","","","","","6","P 1","P 1","1","peptide-Foldamer hybrid macrocycle","","","- C102.67 H88.67 Ca0.67 N25.67 O35.17 S6 -","- C102.667 H88.6667 Ca0.666667 N25.6667 O35.1667 S6 -","- C616 H532 Ca4 N154 O211 S36 -","6","6","","Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan","Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles","Chemical Science","2021","","","","","10.1039/D1SC03640H","","","0.97625","Synchrotron","","0.2287","0.1634","","","0.3564","0.4346","","","","","","1.142","","","","has coordinates,has disorder","267947","2021-08-05","00:35:18",""
"1564323","26.454","0.0002","27.9371","0.0002","30.9544","0.0002","90.9437","0.0006","92.5505","0.0006","91.4316","0.0006","22843.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","peptide-Foldamer-hybrid","","","- C58.25 H54.88 N15.62 O18.83 S3.02 -","- C58.25 H54.875 N15.625 O18.8275 S3.004 -","- C466 H439 N125 O150.62 S24.032 -","8","8","","Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan","Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles","Chemical Science","2021","","","","","10.1039/D1SC03640H","","","0.97625","Synchrotron","","0.0914","0.0707","","","0.1984","0.22","","","","","","0.996","","","","has coordinates,has disorder","267947","2021-08-05","00:35:19",""
"1564531","8.8662","0.0004","10.0457","0.0005","12.0334","0.0007","84.282","0.002","68.413","0.001","89.829","0.001","990.99","0.09","154","2","154","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C42 H56 O12 -","2","2","","Cao, Yunfang; Tan, Xiaosheng; Al Chnani, Ali Adhab; Li, Pengkun; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Xia, Qiangbing; Yang, Xi; Duan, Yulin; Guo, Yi; Chen, Gang; Qi, Changxing; Zhang, Yonghui","Bioassay-Guided Isolation of an Abetiane-Type Diterpenoid from <i>Prunella vulgaris</i> That Protects against Concanavalin A-Induced Autoimmune Hepatitis.","Journal of natural products","2021","84","8","2189","2199","10.1021/acs.jnatprod.1c00247","","","1.54178","CuKα","","0.0363","0.0354","","","0.1036","0.1055","","","","","","0.923","","","","has coordinates","268452","2021-09-04","00:17:57",""
"1564539","14.806","0.0007","15.4949","0.0007","17.248","0.0008","111.348","0.001","112.174","0.001","95.359","0.001","3288.5","0.3","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","4","","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","0.71073","MoKα","","0.0501","0.0411","","","0.101","0.1073","","","","","","1.014","","","","has coordinates,has disorder","269791","2021-10-06","16:23:04",""
"1564601","10.9057","0.0015","14.2504","0.0017","16.844","0.002","107.383","0.007","104.681","0.008","104.35","0.007","2263.3","0.5","120","","120","","","","","","","","","4","P 1","P 1","1","","","","- C49 H69 Cl N6 -","- C49 H69 Cl N6 -","- C98 H138 Cl2 N12 -","2","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","","0.0528","0.0496","","","0.1379","0.1423","","","","","","1.028","","","","has coordinates,has disorder","269067","2021-09-09","22:16:21",""
"1564627","7.85321","0.00015","10.98822","0.00016","20.4662","0.0004","80.0645","0.0014","81.6655","0.0016","89.1459","0.0014","1721.13","0.05","99.96","0.17","99.96","0.17","","","","","","","","6","P 1","P 1","1","","","","- C32 H43 Cl2 Ir N2 O5 -","- C32 H43 Cl2 Ir N2 O5 -","- C64 H86 Cl4 Ir2 N4 O10 -","2","2","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0644","0.0533","","","0.1684","0.2062","","","","","","1.0465","","","","has coordinates","269128","2021-09-14","08:54:09",""
"1564629","7.8667","0.0003","10.9861","0.0004","20.5635","0.0006","79.89","0.003","81.498","0.003","89.261","0.003","1730.21","0.11","99.9","0.3","99.9","0.3","","","","","","","","6","P 1","P 1","1","","","","- C32.167 H43.333 Cl2.333 N2 O5 Rh -","- C32.1667 H43.3333 Cl2.33333 N2 O5 Rh -","- C64.3333 H86.6667 Cl4.66666 N4 O10 Rh2 -","2","2","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0705","0.0562","","","0.1647","0.1916","","","","","","1.0408","","","","has coordinates","269128","2021-09-14","08:54:10",""
"1564800","15.1437","0.0004","17.4925","0.0005","19.3925","0.0005","105.337","0.002","92.858","0.002","113.621","0.003","4467.9","0.2","100","1","100","1","","","","","","","","4","P 1","P 1","1","","","","- C23 H31 Cl O5 -","- C23 H31 Cl O5 -","- C184 H248 Cl8 O40 -","8","8","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.1896","0.0632","","","0.1789","0.2678","","","","","","0.868","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564802","6.1316","0.0002","11.209","0.0003","16.0507","0.0003","90.884","0.002","100.853","0.002","93.813","0.003","1080.58","0.05","99.9","0.8","99.9","0.8","","","","","","","","4","P 1","P 1","1","","","","- C23 H29 Cl O5 -","- C23 H29 Cl O5 -","- C46 H58 Cl2 O10 -","2","2","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0647","0.0527","","","0.1373","0.1462","","","","","","1.051","","","","has coordinates","269521","2021-10-03","23:47:19",""
"1565111","8.2185","0.0002","8.4465","0.0002","10.2022","0.0003","112.706","0.003","95.017","0.002","110.165","0.002","593.06","0.03","106","9","106","9","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 O10 -","- C26 H32 O10 -","- C26 H32 O10 -","1","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0253","0.025","","","0.0647","0.0648","","","","","","1.102","","","","has coordinates","270282","2021-11-04","00:34:57",""
"1565122","6.0023","0.0002","8.1084","0.0002","24.3715","0.0005","98.319","0.002","94.455","0.002","92.83","0.002","1167.9","0.05","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C60 H56 S4 -","2","2","","Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo","Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.","Materials horizons","2022","9","1","444","451","10.1039/d1mh01119g","","x-ray","1.54184","CuKα","","0.0722","0.0598","","","0.1628","0.1748","","","","","","1.043","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1565123","6.0173","0.0001","8.1041","0.0002","24.3262","0.0005","98.542","0.002","94.452","0.002","92.932","0.002","1167.2","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C60 H56 S4 -","2","2","","Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo","Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.","Materials horizons","2022","9","1","444","451","10.1039/d1mh01119g","","","1.54184","CuKα","","0.065","0.0622","","","0.1662","0.1684","","","","","","1.09","","","","has coordinates","272790","2022-02-04","20:05:15",""
"1565340","8.2099","0.0003","11.6051","0.0004","12.1577","0.0005","87.954","0.003","80.589","0.003","89.897","0.003","1142.02","0.07","296.64","0.19","296.64","0.19","","","","","","","","6","P 1","P 1","1","","","","- C21 H14 Cl4 I N O2 -","- C21 H14 Cl4 I N O2 -","- C42 H28 Cl8 I2 N2 O4 -","2","2","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54184","CuKα","","0.0765","0.0738","","","0.2029","0.2072","","","","","","1.088","","","","has coordinates","270790","2021-11-20","23:12:23",""
"1565422","10.54","0.0011","12.1568","0.0014","14.1284","0.0014","71.811","0.003","76.438","0.003","65.487","0.003","1553.3","0.3","296","2","296.15","","","","","","","","","8","P 1","P 1","1","","","","- C23 H34 B10 Cl3 D N2 O3 S -","- C23 H34 B10 Cl3 D N2 O3 S -","- C46 H68 B20 Cl6 D2 N4 O6 S2 -","2","2","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","","0.71073","MoKα","","0.0607","0.0461","","","0.0996","0.1089","","","","","","1.04","","","","has coordinates","270917","2021-11-29","23:19:34",""
"1565423","12.097","0.008","13.28","0.01","13.603","0.009","70.744","0.018","72.905","0.018","70.884","0.019","1906","2","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 B10 O -","- C16 H22 B10 O -","- C64 H88 B40 O4 -","4","4","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","","0.71073","MoKα","","0.2331","0.115","","","0.262","0.3313","","","","","","0.987","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565513","6.0177","0.0003","12.9026","0.0006","13.0816","0.0006","117.122","0.001","90.99","0.002","92.129","0.001","902.73","0.07","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","2","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0474","0.0469","","","0.1227","0.1232","","","","","","1.044","","","","has coordinates","271091","2021-12-04","01:30:34",""
"1565822","8.7754","0.0005","8.8984","0.0006","12.8772","0.0008","99.2233","0.0018","96.0361","0.0018","91.197","0.0017","986.31","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Trans-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C46 H40 I2 N2 O4 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0217","0.0194","","","0.0399","0.0408","","","","","","1.059","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565823","6.3151","0.0004","11.198","0.0007","17.7567","0.001","85.4422","0.0016","85.449","0.0017","86.8128","0.0017","1246.24","0.13","90","2","90","2","","","","","","","","4","P 1","P 1","1","","1-hydroxy-N-(4-((2R,3S)-2-methyl-2-phenyl-2,3-dihydrobenzofurna-3-yl)benzyl)-2-napthamide","","- C33 H27 N O3 -","- C33 H27 N O3 -","- C66 H54 N2 O6 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","1.54178","CuKα","","0.029","0.0289","","","0.0778","0.0778","","","","","","1.013","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565825","6.732","0.0005","7.7574","0.0005","10.6128","0.0008","82.458","0.006","72.596","0.005","65.476","0.005","481.13","0.06","296","2","296.15","","","","","","","","","3","P 1","P 1","1","","Methyl α-<i>l</i>-sorboside monohydrate","","- C7 H16 O7 -","- C7 H16 O7 -","- C14 H32 O14 -","2","2","BV4043","Matsumoto, Mao; Nagayama, Natsumi; Hirose, Ryo; Takeshita, Kei; Ishii, Tomohiko","Methyl α-<small>L</small>-sorboside monohydrate","IUCrData","2021","6","12","x211325","","10.1107/S2414314621013250","","","1.54187","CuKα","","0.0488","0.0478","","","0.1237","0.1249","","","","","","1.128","","","","has coordinates,has Fobs","271584","2021-12-22","03:27:41",""
"1566046","7.6588","0.0004","7.9714","0.0003","12.8907","0.0005","99.211","0.003","90.731","0.004","99.142","0.004","766.39","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0718","0.0487","","0.1129","0.0989","0.1129","","","","","","0.958","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566136","14.9664","0.0016","14.9764","0.0015","47.378","0.004","88.856","0.002","87.71","0.003","60.02","","9191.2","1.6","295","2","295","2","","","","","","","","5","P 1","P 1","1","17217z","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C360 H384 N48 O72 S24 -","24","24","","Jakkaraj, Sudhakar R.; Young, Victor G.; Georg, Gunda I.","Syntheses of PDE3A inhibitor ORG9935 and determination of the absolute stereochemistries of its enantiomers by X-ray crystallography","Tetrahedron","2018","74","22","2769","2774","10.1016/j.tet.2018.04.045","","","0.71073","MoKα","","0.0976","0.0873","","","0.2313","0.241","","","","","","1.017","","","","has coordinates","272249","2022-01-26","12:37:44",""
"1566234","3.9375","","11.2613","","14.195","","84.4274","","112.499","","133.944","","405.053","","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- Ca0.458 Mo0.8 O8.315 U1.2 -","- Ca0.4 Mo0.8 O9.4 U1.2 -","- Ca0.8 Mo1.6 O18.8 U2.4 -","2","2","","Gwladys Steciuk; Radek Skoda; Jan Rohlicek; Jakub Plasil","Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)3(MoO4)2(OH)4](H2O)5 : insights from a precession electron-diffraction tomography study","Journal of GeoSciences","2020","65","","15","25","10.3190/jgeosci.297","","electron","0.0335","electron","","0.6806","0.3825","","","0.3834","0.3919","","","","12.59","12.59","6.15","","","","has coordinates","272388","2022-02-01","09:13:55",""
"1566282","7.3468","0.0004","9.587","0.0004","10.3986","0.0005","71.686","0.004","80.813","0.004","86.65","0.004","686.37","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C32 H34 O11 -","- C32 H34 O11 -","- C32 H34 O11 -","1","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0922","0.0675","","","0.1577","0.1917","","","","","","1.059","","","","has coordinates","272514","2022-02-04","00:42:00",""
"1566283","7.2806","0.0002","9.8268","0.0003","11.0309","0.0003","85.062","0.002","88.911","0.002","86.614","0.002","784.83","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C33 H40 O14 -","- C33 H40 O14 -","- C33 H40 O14 -","1","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0423","0.0399","","","0.1072","0.1091","","","","","","1.047","","","","has coordinates","272515","2022-02-04","00:42:17",""
"1566357","5.185369","","8.997871","","7.347378","","91.7552","","105.095","","89.8358","","330.82","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-I","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","2","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272966","2022-02-15","19:03:53",""
"1566358","5.210756","","5.189703","","7.581904","","89.3723","","72.4369","","119.963","","166.073","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-II","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","1","1","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272967","2022-02-15","19:08:20",""
"1566359","5.162169","","5.176777","","7.781752","","104.444","","98.2915","","119.884","","165.438","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-III","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","1","1","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272968","2022-02-15","19:11:34",""
"1566360","5.159081","","8.934001","","14.410312","","90","","96.3063","","90","","660.17","","","","","","","","","","","","","4","P 1","P 1","1","","Dickite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272969","2022-02-15","19:20:39",""
"1566361","5.185121","","8.939635","","14.188437","","90.001","","89.08","","89.9997","","657.593","","","","","","","","","","","","","4","P 1","P 1","1","","HP-dickite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272970","2022-02-15","19:24:07",""
"1566362","8.902908","","5.163177","","14.518933","","90.0004","","99.3478","","90","","658.533","","","","","","","","","","","","","4","P 1","P 1","1","","Nacrite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272971","2022-02-15","19:26:18",""
"1566543","28.4101","0.0012","30.2731","0.0013","32.7364","0.0015","82.444","0.004","81.795","0.004","63.273","0.004","24818","2","100","0.13","100","0.13","","","","","","","","4","P 1","P 1","1","","","","- C280 H320 N32 O40 -","- C192 H104 N24 O32 -","- C384 H208 N48 O64 -","2","2","","Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang","Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis","Chemical Science","2022","","","","","10.1039/D2SC00395C","","","1.54184","CuKα","","0.35","0.2292","","","0.4808","0.5579","","","","","","1.377","","","","has coordinates","273290","2022-03-03","23:17:26",""
"1566546","7.2313","0.001","9.2604","0.0013","14.1201","0.0019","78.16","0.006","77.214","0.006","70.423","0.006","859.9","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H39 Cl3 Cu N8 O3 -","- C32 H39 Cl3 Cu N8 O3 -","- C32 H39 Cl3 Cu N8 O3 -","1","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.1154","0.0753","","","0.15","0.1779","","","","","","1.057","","","","has coordinates","273296","2022-03-04","00:22:50",""
"1566592","7.2748","0.0007","12.2905","0.0009","12.5063","0.0012","63.599","0.002","79.446","0.002","75.302","0.002","965.6","0.15","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C46 H44 O6 S2 -","2","2","","Li, Yanjun; Liou, Yan-Cheng; Chen, Xinran; Ackermann, Lutz","Thioether-enabled palladium-catalyzed atroposelective C–H olefination for N−C and C−C axial chirality","Chemical Science","2022","","","","","10.1039/D2SC00748G","","x-ray","0.71073","MoKα","","0.0272","0.0259","","","0.0651","0.0662","","","","","","1.039","","","","has coordinates","273623","2022-03-10","23:21:07",""
"1566771","13.8456","0.0013","13.8504","0.0012","26.594","0.002","98.63","0.003","90.112","0.003","101.91","0.003","4930.7","0.7","150","2","149.98","","","","","","","","","5","P 1","P 1","1","","","","- C198 H239 N40 O31 P2 -","- C198 H239 N40 O31 P2 -","- C198 H239 N40 O31 P2 -","1","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","","0.1353","0.0726","","","0.1712","0.2063","","","","","","1.001","","","","has coordinates","274436","2022-04-08","22:17:23",""
"1566792","8.3698","0.0002","8.6024","0.0002","11.6963","0.0002","103.438","0.002","103.111","0.002","102.977","0.002","762.79","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","R)-3-Methyl-2-(phenyl(thiophen-2-yl)methyl)-1H-indole","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","2","","Yan, Qiaolin; Duan, Meng; Chen, Cien; Deng, Zhiqin; Wu, Mandi; Yu, Peiyuan; He, Ming-Liang; Zhu, Guangyu; Houk, Kendall N.; Sun, Jianwei","Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes","Chemical Science","2022","","","","","10.1039/D2SC00636G","","x-ray","1.54184","CuKα","","0.0389","0.038","","","0.1012","0.1022","","","","","","1.056","","","","has coordinates,has disorder","274513","2022-04-13","22:14:50",""
"1566793","8.4366","0.0004","8.5299","0.0004","11.8199","0.0006","103.482","0.004","103.756","0.004","102.858","0.004","767.86","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","(S)-3-Methyl-2-(phenyl(thiophen-3-yl)methyl)-1H-indole","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","2","","Yan, Qiaolin; Duan, Meng; Chen, Cien; Deng, Zhiqin; Wu, Mandi; Yu, Peiyuan; He, Ming-Liang; Zhu, Guangyu; Houk, Kendall N.; Sun, Jianwei","Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes","Chemical Science","2022","","","","","10.1039/D2SC00636G","","x-ray","1.54184","CuKα","","0.0371","0.0367","","","0.0964","0.0966","","","","","","1.042","","","","has coordinates,has disorder","274513","2022-04-13","22:14:51",""
"1566824","7.0221","0.0004","7.9102","0.0007","9.5017","0.0005","106.659","0.007","105.234","0.005","101.17","0.006","466.74","0.06","229","80","229","80","","","","","","","","4","P 1","P 1","1","","","","- C22 H20 O2 S2 -","- C22 H20 O2 S2 -","- C22 H20 O2 S2 -","1","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0827","0.0794","","","0.2371","0.2415","","","","","","1.034","","","","has coordinates","274584","2022-04-19","22:23:12",""
"1566855","10.1507","0.0002","10.483","0.0003","12.0198","0.0004","71.0631","0.0009","77.4831","0.001","65.8533","0.0018","1098.71","0.06","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H36 N2 O2 P2 -","- C18 H36 N2 O2 P2 -","- C36 H72 N4 O4 P4 -","2","2","","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","","","0.71073","MoKα","","0.105","0.0761","","","0.1991","0.2201","","","","","","1.085","","","","has coordinates,has disorder","274670","2022-04-25","22:23:35",""
"1566857","9.5345","0.0001","11.9909","0.0001","13.3121","0.0002","104.379","0.0005","90.136","0.0005","94.2154","0.0007","1469.93","0.03","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H47 N3 O P2 -","- C27 H47 N3 O P2 -","- C54 H94 N6 O2 P4 -","2","2","","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","","","0.71073","MoKα","","0.046","0.0414","","","0.1071","0.1105","","","","","","1.057","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566861","9.5482","0.0002","12.0125","0.0003","13.2604","0.0004","103.899","0.0009","90.8396","0.0008","94.8447","0.0015","1470.17","0.07","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H47 N3 O P2 -","- C27 H47 N3 O P2 -","- C54 H94 N6 O2 P4 -","2","2","","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","","","0.71073","MoKα","","0.0747","0.0565","","","0.1348","0.1477","","","","","","1.04","","","","has coordinates,has disorder","274670","2022-04-25","22:23:36",""
"1566863","9.5547","0.0003","11.9843","0.0004","13.3167","0.0004","103.719","0.002","90.305","0.002","94.423","0.002","1476.49","0.08","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H47 N3 O P2 -","- C27 H47 N3 O P2 -","- C54 H94 N6 O2 P4 -","2","2","","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","","0.0608","0.0562","","","0.1585","0.1649","","","","","","1.032","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566957","13.5907","0.0008","15.0346","0.0009","18.9632","0.0012","97.644","0.002","101.994","0.002","104.537","0.002","3598","0.4","213","2","213","2","","","","","","","","3","P 1","P 1","1","","(2R,3S,4R,5S,6R)-6-((benzoyloxy)methyl)-3-(3,3-dimethyl-2-oxobutyl)tetrahydro-2H-pyran-2,4,5-triyl","","- C40 H38 O10 -","- C40 H38 O10 -","- C160 H152 O40 -","4","4","","Zhao, Gaoyuan; Mukherjee, Upasana; Zhou, Lin; Wu, Yue; Yao, Wang; Mauro, Jaclyn N.; Liu, Peng; Ngai, Ming-Yu","C2-ketonylation of carbohydrates via excited-state palladium-catalyzed 1,2-spin-center shift","Chemical Science","2022","","","","","10.1039/D2SC01042A","","","0.71073","MoKα","","0.1074","0.0481","","","0.0856","0.1022","","","","","","1.008","","","","has coordinates","275347","2022-05-11","22:12:40",""
"1567023","7.168","0.0004","7.6291","0.0004","13.6797","0.0008","78.422","0.005","83.441","0.005","69.68","0.005","686.44","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H15 I N9 -","- C30 H15 I N9 -","- C30 H15 I N9 -","1","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0424","0.0421","","","","0.1145","","","","","","1.032","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567037","7.0735","0.0005","7.8171","0.0004","13.8419","0.0004","74.353","0.004","88.928","0.004","67.934","0.006","680.1","0.07","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H15 I N9 -","- C30 H15 I N9 -","- C30 H15 I N9 -","1","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0629","0.0625","","","","0.146","","","","","","1.099","","","","has coordinates","275679","2022-05-28","02:04:40",""
"1567048","10.1334","0.0004","10.2002","0.0003","11.4807","0.0004","93.3946","0.0013","99.9779","0.0014","107.948","0.0013","1103.79","0.07","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","1","1","","Gorai, Tumpa; Lovitt, June I.; Umadevi, Deivasigamani; McManus, Gavin; Gunnlaugsson, Thorfinnur","Hierarchical supramolecular co-assembly formation employing multi-component light-harvesting charge transfer interactions giving rise to long-wavelength emitting luminescent microspheres.","Chemical science","2022","13","26","7805","7813","10.1039/d2sc02097a","","x-ray","0.71073","MoKα","K-L~3~","0.0934","0.0551","","","0.1136","0.1315","","","","","","1.012","","","","has coordinates","277103","2022-08-06","11:43:31",""
"1567049","12.733","0.004","13.433","0.005","14.738","0.005","63.059","0.008","71.223","0.009","73.702","0.009","2100.3","1.3","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C75.5 H85.5 Cl10.5 N12 O12 -","- C72 H82 N12 O12 -","- C72 H82 N12 O12 -","1","1","","Al Kelabi, Dana; Dey, Avishek; Alimi, Lukman O.; Piwoński, Hubert; Habuchi, Satoshi; Khashab, Niveen M.","Photostable polymorphic organic cages for targeted live cell imaging","Chemical Science","2022","13","24","7341","7346","10.1039/D2SC00836J","","","0.71073","MoKα","","0.1169","0.0873","","","0.2043","0.2226","","","","","","0.971","","","","has coordinates","276595","2022-07-06","07:56:10",""
"1567274","5.5106","0.0002","7.7117","0.0003","9.6692","0.0003","70.09","0.001","86.972","0.001","85.438","0.001","384.97","0.02","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H15 F2 N O -","- C19 H15 F2 N O -","- C19 H15 F2 N O -","1","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0334","0.031","","","0.0783","0.0809","","","","","","1.036","","","","has coordinates","277648","2022-09-06","09:42:54",""
"1567304","14.0149","0.0003","17.5229","0.0003","24.7263","0.0006","83.4471","0.0018","83.4537","0.0019","70.099","0.002","5654","0.2","140","0.1","140","0.1","","","","","","","","7","P 1","P 1","1","","","","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C144 H324 N4 O50 Rb4 Si12 U4 -","2","2","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0793","0.0609","","","0.1449","0.1592","","","","","","1.047","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567424","11.3315","0.0007","12.2669","0.0008","14.2038","0.001","77.65","0.003","88.094","0.003","75.63","0.002","1867.9","0.2","100","","100","","","","","","","","see text","8","P 1","P 1","1","","","","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","1","1","","Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E.","Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance","Catalysis Science & Technology","2022","12","18","5597","5603","10.1039/D2CY01036D","","x-ray","0.71073","MoKα","","0.0369","0.0359","","","0.0961","0.0973","","","","","","1.058","","","","has coordinates,has disorder","278393","2022-10-07","00:37:23",""
"1567434","6.1626","0.0002","8.8822","0.0003","26.4639","0.0009","88.692","0.003","88.561","0.003","81.453","0.003","1431.76","0.08","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H18 N2 O2 Si -","- C22 H18 N2 O2 Si -","- C66 H54 N6 O6 Si3 -","3","3","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0443","0.0389","","","0.1002","0.1061","","","","","","1.057","","","","has coordinates,has disorder","277147","2022-08-06","19:38:03",""
"1567460","5.69","0.0004","8.341","0.0006","17.5111","0.0012","79.981","0.003","82.483","0.002","89.991","0.002","811.16","0.1","299","2","299","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H5 Br0.12 I0.12 N0.25 O0.5 -","- C4 H5 Br0.125 I0.125 N0.25 O0.5 -","- C32 H40 Br I N2 O4 -","8","8","","Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J.","Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals","Chemical Science","2022","","","","","10.1039/D2SC03343G","","","0.71073","MoKα","","0.067","0.051","","","0.1409","0.157","","","","","","1.014","","","","has coordinates","277194","2022-08-10","22:13:27",""
"1567521","10.086","0.0002","15.2512","0.0003","17.1263","0.0003","91.211","0.001","99.494","0.001","98.375","0.001","2567.88","0.09","173","2","173","2","","","","","","","","3","P 1","P 1","1","insuetusin B6","","","- C26.75 H41 O6.75 -","- C26.75 H41 O6.75 -","- C107 H164 O27 -","4","4","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0376","0.036","","","0.0951","0.0966","","","","","","1.08","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567522","10.3091","0.0003","12.7665","0.0004","13.3424","0.0004","107.864","0.001","101.093","0.001","112.099","0.001","1451.17","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H36 Cl P2 Rh -","- C34 H36 Cl P2 Rh -","- C68 H72 Cl2 P4 Rh2 -","2","2","","Som, Salina; Choi, Jongwook; Katsoulis, Dimitris; Lee, Kangsang L.","Direct Method to Access Various Functional Arylalkoxysilanes by Rh-catalysed Intermolecular C–H Silylation of Alkoxysilane","Chemical Science","2022","","","","","10.1039/D2SC03727K","","","0.71073","MoKα","","0.0227","0.0203","","","0.0459","0.0469","","","","","","1.03","","","","has coordinates","277359","2022-08-23","22:07:26",""
"1567763","4.5926","0.0003","5.6626","0.0004","12.165","0.0008","86.311","0.002","88.909","0.002","81.003","0.002","311.81","0.04","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","1","1","","Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S.","Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation","Chemical Science","2022","13","41","12144","12148","10.1039/D2SC03994J","","","0.71073","MoKα","","0.0249","0.0228","","","0.0332","0.0334","","","","","","1.053","","","","has coordinates,has disorder","278967","2022-11-07","05:13:42",""
"1567766","11.8289","0.0006","16.7287","0.0008","17.7234","0.0009","116.207","0.0014","91.0059","0.0015","100.454","0.0015","3075.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","","- C35 H57.5 N O3.25 -","- C35 H57.495 N O3.25 -","- C140 H229.98 N4 O13 -","4","4","BT4124","Campos Fernandez, Cristian; Procupez-Schtirbu, R.; Soto-Tellini, V. H.; Salazar, J. C.; Jancik, Vojtech","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","IUCrData","2022","7","10","x220947","","10.1107/S2414314622009476","","","0.71073","MoKα","","0.0917","0.062","","","0.1125","0.1214","","","","","","1.074","","","","has coordinates,has disorder","278547","2022-10-12","02:22:38",""
"1567861","9.2497","0.0006","9.6644","0.0002","32.938","0.0007","90.062","0.002","92.44","0.003","104.738","0.004","2844.7","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H37 N3 O6 -","- C31 H37 N3 O6 -","- C124 H148 N12 O24 -","4","4","","Misra, Rajkumar; Netti, Francesca; Koren, Gil; Dan, Yoav; Chakraborty, Priyadarshi; Cohen, Sidney R.; Shimon, Linda J. W.; Beck, Roy; Adler-Abramovich, Lihi","An atomistic view of rigid crystalline supramolecular polymers derived from short amphiphilic, α,β hybrid peptide","Polymer Chemistry","2022","13","44","6223","6228","10.1039/D2PY01072K","","","1.54184","CuKα","","0.1422","0.1174","","","0.3321","0.3486","","","","","","1.406","","","","has coordinates","280222","2023-01-06","10:06:10",""
"1568026","8.3457","0.0003","9.3455","0.0003","17.6411","0.0006","95.16","0.002","99.293","0.002","115.715","0.002","1203.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","1","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0796","0.0684","","","0.1687","0.1819","","","","","","1.055","","","","has coordinates","283161","2023-05-05","01:03:29",""
"1568045","10.6821","0.0002","12.0842","0.0001","17.057","0.0002","93.142","0.001","105.229","0.001","97.685","0.001","2096.06","0.05","100.2","0.5","100.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C51 H58 O5 -","- C51 H58 O5 -","- C102 H116 O10 -","2","2","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.063","0.0541","","","0.1401","0.1667","","","","","","1.085","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07",""
"1568221","5.189","0.005","7.915","0.004","10.643","0.003","80.745","0.013","82.34","0.04","88.94","0.05","427.6","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","1","1","","De, Soumi; Asthana, Deepak; Thirmal, Chinthakuntla; Keshri, Sudhir K.; Ghosh, Ram Krishna; Hundal, Geeta; Kumar, Raju; Singh, Satyendra; Chatterjee, Ratnamala; Mukhopadhyay, Pritam","A folded π-system with supramolecularly oriented dipoles: single-component piezoelectric relaxor with NLO activity.","Chemical science","2023","14","10","2547","2552","10.1039/d2sc06141d","","","0.71073","MoKα","","0.1421","0.0815","","","0.2062","0.2349","","","","","","1.017","","","","has coordinates","282281","2023-04-04","09:54:10",""
"1568279","7.023","0.01","9.909","0.014","11.109","0.014","65.89","0.06","74.66","0.05","73.28","0.04","666.2","1.6","296.83","","296.83","","","","","","","","","4","P 1","P 1","1","","","","- C36 H16 N6 O -","- C36 H16 N6 O -","- C36 H16 N6 O -","1","1","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","0.71076","MoKα","","0.1123","0.0842","","","0.1921","0.2096","","","","","","1.09","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568593","17.8167","0.0003","17.9076","0.0003","19.7519","0.0004","116.936","0.002","116.807","0.002","90.012","0.001","4846","0.2","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","1","1","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1486","0.1443","","","0.3181","0.3202","","","","","","1.091","","","","has coordinates,has disorder","281630","2023-03-05","07:50:36",""
"1568598","13.3722","0.0015","13.3488","0.0018","21.585","0.003","92.345","0.006","90.153","0.008","120.34","0.03","3321.3","1.3","303","2","303","2","","","","","","","Buca della Vena mine, Italy","4","P 1","P 1","1","","","bohuslavite","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","1","1","","Mauro, Daniela; Biagioni, Cristian","New Crystal-Structure Data on Bohuslavite, Fe3+4(PO4)3(SO4)(OH)(H2O)10·nH2O","Minerals","2023","13","2","286","","10.3390/min13020286","","","0.71073","MoKα","","0.1968","0.1498","","","0.4013","0.4527","","","","","","1.089","","","","has coordinates","281633","2023-03-05","20:51:18",""
"1568607","8.78","0.0018","8.92","0.0018","11.62","0.002","84.56","0.03","81.25","0.03","76.39","0.03","872.6","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C20 H21 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","2","","Mathew, Shintu; Zhang, Kenneth; Zhou, Xian; Münch, Gerald; Bodkin, Francis; Li, Feng; Raju, Ritesh","Myrtinols A–F: New Anti-Inflammatory Peltogynoid Flavonoid Derivatives from the Leaves of Australian Indigenous Plant Backhousia myrtifolia","Molecules","2023","28","5","2160","","10.3390/molecules28052160","","","0.71073","MoKα","","0.0387","0.0383","","","0.1031","0.1045","","","","","","1.048","","","","has coordinates","281644","2023-03-05","23:23:11",""
"1568620","10.2031","0.0002","11.8054","0.0003","16.122","0.0004","74.925","0.002","89.781","0.002","89.984","0.002","1875.08","0.08","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","1","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0609","0.0511","","","0.124","0.1289","","","","","","1.043","","","","has coordinates","283183","2023-05-05","01:11:03",""
"1569002","9.5123","0.0001","11.7533","0.0002","16.8232","0.0002","109.487","0.001","90.441","0.001","100.671","0.001","1737.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1","P 1","1","","","","- C76 H104 O12 -","- C76 H104 O12 -","- C76 H104 O12 -","1","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","","0.0592","0.0558","","","0.1413","0.144","","","","","","1.026","","","","has coordinates,has disorder","284243","2023-06-05","04:11:18",""
"1569044","7.8326","0.0002","11.0556","0.0002","12.8446","0.0003","114.754","0.001","102.718","0.001","94.914","0.001","965.22","0.04","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","1","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0155","0.0153","","","0.0367","0.0368","","","","","","1.037","","","","has coordinates","283529","2023-05-05","15:44:41",""
"1569120","12.967","0.002","14.683","0.002","17.866","0.003","82.663","0.004","72.777","0.004","72.012","0.004","3087.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","1","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.0506","0.0452","","","0.1058","0.1086","","","","","","1.007","","","","has coordinates","284896","2023-07-05","09:43:31",""
"1569347","6.7397","0.0002","8.1678","0.0002","16.0806","0.0005","93.714","0.002","95.548","0.002","96.111","0.002","873.54","0.04","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","1","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","","1.54184","CuKα","","0.0733","0.0594","","","0.1584","0.1721","","","","","","1.031","","","","has coordinates","286033","2023-09-05","19:06:57",""
"1569454","8.348","0.005","9.154","0.005","16.683","0.009","98.03","0.02","92.58","0.02","90.2","0.02","1261","1.2","298","2","298","","","","","","","","","5","P 1","P 1","1","","","","- C31 H25 N2 O2 S -","- C31 H24 N2 O2 S -","- C62 H48 N4 O4 S2 -","2","2","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","","0.71073","MoKα","","0.0771","0.0495","","","0.1156","0.1304","","","","","","1.043","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569499","8.927","0.0002","13.6209","0.0003","14.7225","0.0003","101.208","0.002","104.314","0.002","101.04","0.002","1646.58","0.07","173","0.1","173","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","1","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0592","0.057","","","0.1691","0.1726","","","","","","0.909","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569585","9.72613","0.0001","19.54803","0.00019","20.00438","0.00018","75.8276","0.0008","76.6215","0.0009","89.241","0.0008","3583.73","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C180.23 H165.95 Cl4.45 -","- C180.229 H165.958 Cl4.458 -","- C180.229 H165.958 Cl4.458 -","1","1","","Obermann, Sebastian; Zheng, Wenhao; Melidonie, Jason; Böckmann, Steffen; Osella, Silvio; Arisnabarreta, Nicolás; Guerrero-León, L Andrés; Hennersdorf, Felix; Beljonne, David; Weigand, Jan J.; Bonn, Mischa; De Feyter, Steven; Hansen, Michael Ryan; Wang, Hai I.; Ma, Ji; Feng, Xinliang","Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes <i>via</i> one-pot K-region oxidation and Scholl cyclization.","Chemical science","2023","14","32","8607","8614","10.1039/d3sc02824k","","x-ray","1.54184","CuKα","","0.0548","0.0459","","","0.1216","0.1317","","","","","","1.034","","","","has coordinates,has disorder","286040","2023-09-05","19:09:21",""
"1569727","9.2214","0.0009","13.2109","0.0012","18.8909","0.0016","95.7","0.003","99.414","0.003","101.148","0.004","2207","0.4","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(6,6'-bis(4-methoxyphenyl)-[1,1'-binaphthalene]-2,2'-diyl)bis(diphenylphosphane)","","- C58 H44 O2 P2 -","- C58 H44 O2 P2 -","- C116 H88 O4 P4 -","2","2","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0556","0.0461","","","0.1212","0.1313","","","","","","1.035","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569759","9.549","0.0004","13.356","0.0006","14.7285","0.0006","108.404","0.002","103.569","0.002","95.911","0.002","1700.38","0.13","199.98","","199.98","","","","","","","","","4","P 1","P 1","1","","","","- C30 H52 N4 O5 -","- C29.9995 H51.9988 N4 O5 -","- C59.999 H103.998 N8 O10 -","2","2","","Rabaud, Dorian; Dussart, Paul; Ducouret, Guylaine; Albouy, Pierre-Antoine; Forté, Jérémy; Isare, Benjamin; Bouteiller, Laurent","Development of furan-2,5-dicarboxylic acid (FDCA)-based organogelators.","Soft matter","2023","19","36","6958","6967","10.1039/d3sm00771e","","","1.54178","CuKα","","0.0506","0.0496","","","0.1383","0.1402","","","","","","1.061","","","","has coordinates,has disorder","286816","2023-10-06","00:54:36",""
"1569819","7.2605","0.0002","14.3218","0.0003","18.004","0.0003","70.891","0.002","86.709","0.002","84.755","0.002","1760.8","0.07","100","0.1","100","0.1","","","","","","","","7","P 1","P 1","1","","","","- C77 H70 F3 N8 O3 Pt2 S -","- C77 H70 F3 N8 O3 Pt2 S -","- C77 H70 F3 N8 O3 Pt2 S -","1","1","","Jing, Jing; Yu, Miao; Pan, Lei; Zhao, Yang; Xu, Guo; Zhang, Hua-Hong; Li, Chen; Zhang, Xiao-Peng","Synthesis and Biological Activities of Luminescent 5,6-Membered Bis(Metallacyclic) Platinum(II) Complexes","Molecules","2023","28","17","6369","","10.3390/molecules28176369","","","0.71073","MoKα","","0.0362","0.0323","","","0.0724","0.074","","","","","","1.053","","","","has coordinates","286236","2023-09-06","13:58:51",""
"1569908","9.253","0.0005","9.3566","0.0005","9.9037","0.0006","106.668","0.002","101.698","0.002","117.979","0.002","665.24","0.07","302","2","302","","","","","","","","","6","P 1","P 1","1","","","","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","1","1","","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","","0.0504","0.0386","","","0.0881","0.0941","","","","","","1.038","","","","has coordinates","287308","2023-11-06","06:51:51",""
"1569945","13.915","0.003","13.928","0.002","24.247","0.005","105.027","0.007","96.887","0.007","109.734","0.006","4159.3","1.4","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C128 H296 Ce2 Cs2 N32 O4 P8 -","- C64 H148 Ce Cs N16 O2 P4 -","- C128 H296 Ce2 Cs2 N32 O4 P8 -","2","2","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0588","0.0538","","","0.1284","0.1363","","","","","","1.101","","","","has coordinates,has disorder","287298","2023-11-06","06:47:06",""
"1569963","8.3298","0.0003","11.7921","0.0006","23.5575","0.001","75.792","0.002","87.279","0.002","77.21","0.002","2187.46","0.17","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C53 H47 O10 P3 -","- C53 H47 O10 P3 -","- C106 H94 O20 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.061","0.0452","","","0.107","0.1168","","","","","","1.052","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569968","9.6588","0.0005","16.0406","0.0008","16.414","0.0008","62.242","0.002","89.152","0.002","84.69","0.002","2239.6","0.2","193","","193","","","","","","","","","5","P 1","P 1","1","","","","- C51 H48 N O12 P3 -","- C51 H48 N O12 P3 -","- C102 H96 N2 O24 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0447","0.0423","","","0.1229","0.1256","","","","","","1.079","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569970","11.0428","0.0002","15.3355","0.0003","16.784","0.0004","93.686","0.001","100.727","0.001","107.398","0.001","2642.99","0.1","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0389","0.0365","","","0.1004","0.1026","","","","","","1.054","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569972","11.0451","0.0004","15.3389","0.0005","16.7639","0.0006","93.606","0.002","100.717","0.002","107.383","0.002","2641.81","0.16","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0331","0.0322","","","0.0872","0.088","","","","","","1.039","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1570139","8.069","0.0003","13.7637","0.0005","16.3101","0.0005","70.036","0.003","89.552","0.003","89.76","0.003","1702.48","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C11 H10 Cu N O -","- C7.71429 H12.8571 Cu0.857143 N0.857143 O4.28571 -","- C54 H90 Cu6 N6 O30 -","7","7","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","x-ray","1.54184","CuKα","","0.0355","0.0347","","","0.0898","0.0907","","","","","","1.052","","","","has coordinates","288827","2024-01-06","08:32:04",""
"1570175","9.6128","0.0003","10.2795","0.0003","12.5045","0.0003","103.159","0.002","96.871","0.002","116.633","0.003","1040.05","0.06","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H34 F2 O8 S6 -","- C42 H34 F2 O8 S6 -","- C42 H34 F2 O8 S6 -","1","1","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0555","0.0531","","","0.1505","0.1541","","","","","","1.054","","","","has coordinates","288720","2024-01-06","07:14:28",""
"1570277","11.82","0.001","12.7584","0.0011","13.3067","0.0013","109.691","0.006","107.464","0.005","99.058","0.005","1726","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H50 Cl6 Mn3 N15 O31 -","- C51 H50 Cl6 Mn3 N15 O31 -","- C51 H50 Cl6 Mn3 N15 O31 -","1","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.0826","0.0693","","","0.1653","0.1757","","","","","","1.034","","","","has coordinates","287461","2023-11-07","03:00:48",""
"1570373","13.2705","0.001","21.6957","0.0016","22.113","0.0017","111.223","0.003","102.466","0.003","104.738","0.003","5394.3","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C136 H90 Cl2 N4 O16 -","- C136 H90 Cl2 N4 O16 -","- C272 H180 Cl4 N8 O32 -","2","2","","Weh, Manuel; Kroeger, Asja A.; Anhalt, Olga; Karton, Amir; Würthner, Frank","Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane.","Chemical science","2024","15","2","609","617","10.1039/d3sc05341e","","","1.54178","CuKα","","0.0515","0.0503","","","0.1461","0.1478","","","","","","1.015","","","","has coordinates,has disorder","289413","2024-02-04","11:31:00",""
"1570431","6.8195","0.0006","19.5313","0.0009","20.5319","0.0017","96.793","0.005","95.64","0.007","99.888","0.005","2655.5","0.4","200.15","","200.15","","","","","","","","","4","P 1","P 1","1","","","","- C33 H30.13 N2 O2 -","- C33 H30.1303 N2 O2 -","- C132 H120.521 N8 O8 -","4","4","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54184","CuKα","","0.2066","0.1264","","","0.3063","0.3943","","","","","","1.005","","","","has coordinates,has disorder","289395","2024-02-04","11:25:18",""
"1570453","6.10213","0.00005","7.30975","0.00006","29.70773","0.00019","92.3183","0.0006","93.944","0.0006","114.298","0.0008","1201.43","0.018","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","1","1","","Zhang, Fan; Wang, Su-Jing; Xiao, Wen; Yu, Ming-Zhu; Sha, Feng; Wu, Ruibo; Xiang, Zheng","Harnessing the catalytic plasticity of the ent-kaurene synthase from Bradyrhizobium japonicum to produce the ent-rosane and ent-pimarane scaffolds","Catalysis Science & Technology","2024","14","2","306","314","10.1039/D3CY00115F","","","1.54184","CuKα","","0.0326","0.0322","","","0.0887","0.0891","","","","","","1.082","","","","has coordinates","289314","2024-02-04","10:58:31",""
"1570801","9.061","0.012","11.978","0.012","12.657","0.016","107.62","0.04","110.74","0.04","93.69","0.04","1202","3","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","2","","Yan, Dexiu; Matsuda, Yudai","Global genome mining-driven discovery of an unusual biosynthetic logic for fungal polyketide-terpenoid hybrids.","Chemical science","2024","15","8","3011","3017","10.1039/d3sc06001b","","","1.54178","CuKα","","0.0498","0.0454","","","0.1164","0.1216","","","","","","1.051","","","","has coordinates","290119","2024-03-04","20:00:08",""
"1570894","15.8579","0.0017","19.165","0.002","19.177","0.002","87.841","0.004","81.039","0.004","82.464","0.004","5706.5","1","193","","193","","","","","","","","","4","P 1","P 1","1","","Ni12(pMPT)24","","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","1","1","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","0.71073","MoKα","","0.1108","0.0892","","","0.2578","0.2765","","","","","","1.022","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570971","7.8226","0.0005","9.87","0.0006","13.4677","0.0008","72.435","0.002","82.536","0.002","83.621","0.002","980.1","0.1","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","2","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","1.54178","CuKα","","0.0317","0.0301","","","0.0783","0.0797","","","","","","1.031","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1571016","9.2895","0.0006","9.5681","0.0006","12.3723","0.0007","93.065","0.003","108.756","0.003","118.62","0.003","885.12","0.1","100","2","99.8","","","","","","","","","4","P 1","P 1","1","","","","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","1","1","","Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael","Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.","Chemical science","2024","15","12","4427","4433","10.1039/d4sc00064a","","","0.71073","MoKα","","0.0803","0.0592","","","0.1456","0.1631","","","","","","1.029","","","","has coordinates,has disorder","290862","2024-04-04","22:53:20",""
"1571052","11.12464","0.00016","14.7718","0.0002","17.2761","0.0003","86.9319","0.0012","72.3912","0.0013","76.3044","0.0013","2628.53","0.07","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H54 Li N Si2 -","- C24 H54 Li N Si2 -","- C96 H216 Li4 N4 Si8 -","4","4","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0445","0.0395","","","0.1076","0.1132","","","","","","1.042","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571372","6.9794","0.0001","7.6259","0.0001","12.3471","0.0001","93.144","0.001","97.362","0.001","94.061","0.001","648.752","0.014","100.01","0.12","100.01","0.12","","","","","","","","4","P 1","P 1","1","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","2","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","x-ray","1.54184","CuKα","","0.0346","0.0345","","","0.0925","0.0927","","","","","","0.99","","","","has coordinates","290774","2024-04-04","00:54:36",""
"1571410","11.039","0.0006","15.1879","0.0008","16.0708","0.0007","112.211","0.002","104.135","0.002","103.663","0.002","2251.2","0.2","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C39 H29 P S -","- C39 H29 P S -","- C117 H87 P3 S3 -","3","3","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-Catalyzed Regio- and Stereoselective Phosphination of Cyclic Biarylsulfonium Salts to Access Atropoisomeric Phosphines","Chemical Science","2024","","","","","10.1039/D4SC00446A","","","0.71073","MoKα","","0.0591","0.047","","","0.1012","0.1094","","","","","","1.08","","","","has coordinates","291145","2024-04-09","22:10:23",""
"1571491","12.2029","0.0001","12.207","0.0001","20.231","0.0002","106.041","0.001","106.066","0.001","90.658","0.001","2770.52","0.05","296.88","0.15","296.88","0.15","","","","","","","","3","P 1","P 1","1","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","8","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent Synthesis of Chiral Fluorenols from Racemic Secondary Alcohols via Pd(II)/Chiral Norbornene Cooperative Catalysis","Chemical Science","2024","","","","","10.1039/D4SC01004C","","x-ray","1.54184","CuKα","","0.0329","0.0324","","","0.0885","0.089","","","","","","1.031","","","","has coordinates","291367","2024-04-26","22:09:30",""
"1571506","7.2222","0.0003","8.1293","0.0004","10.3779","0.0004","101.002","0.004","105.247","0.004","106.829","0.004","538.65","0.05","250","0.1","250","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","1","1","","Wu, Jia-Hang; Hu, Chun-Li; Li, Yafeng; Mao, Jiang-Gao; Kong, Fang","[(C5H6N2)2H](Sb4F13): A polyfluoroantimonite with strong second harmonic generation effect","Chemical Science","2024","","","","","10.1039/D4SC01716A","","x-ray","0.71073","MoKα","","0.0261","0.0244","","","0.0486","0.0504","","","","","","1.046","","","","has coordinates","291419","2024-04-30","22:09:16",""
"1571527","10.42669","0.00014","12.40814","0.00015","18.05325","0.00018","79.3587","0.0009","81.0124","0.001","87.8419","0.001","2267.21","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C96 H70 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","1","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","","0.0559","0.0536","","","0.1481","0.1505","","","","","","1.045","","","","has coordinates","291459","2024-05-02","22:15:18",""
"1571565","9.0844","0.0003","10.3859","0.0004","18.7463","0.0006","75.426","0.002","89.765","0.002","88.695","0.002","1711.35","0.1","302","","302","","","","","","","","","5","P 1","P 1","1","","","","- C41 H35 F N2 O5 -","- C41 H35 F N2 O5 -","- C82 H70 F2 N4 O10 -","2","2","","Wang, Baomin; Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping","Organocatalytic diastereo- and atroposelective construction of eight-membered bridged (hetero)biaryls via asymmetric intramolecular [3+2] cycloaddition","Chemical Science","2024","","","","","10.1039/D4SC01892C","","","1.54178","CuKα","","0.08","0.0635","","","0.151","0.1708","","","","","","1.094","","","","has coordinates,has disorder","291756","2024-05-07","22:15:31",""
"1571595","8.766","0.006","11.916","0.008","15.464","0.011","101.43","0.02","92.94","0.02","111.2","0.02","1462.7","1.8","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H29 N O2 S2 -","- C40 N O2 S2 -","- C80 N2 O4 S4 -","2","2","","Khatun, Mst Nasima; Nandi, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar K.","Sulphur-Atom Positional Engineering in Perylenimide: Structure-Property Relationships and H-aggregation Directed Type-I Photodynamic Therapy","Chemical Science","2024","","","","","10.1039/D4SC01180E","","","0.71073","MoKα","","0.3389","0.1608","","","0.3439","0.4551","","","","","","1.798","","","","has coordinates","291807","2024-05-10","22:14:42",""
"2000294","11.076","0.001","11.314","0.001","12.155","0.001","104.41","0.01","102.02","0.01","89.37","0.01","1441.6","0.2","","","","","","","","","","","","4","P 1","P 1","1","","","","- C27 H32 N2 O7 -","- C27.5 H32 N2 O7 -","- C55 H64 N4 O14 -","2","2","MU0231","Driessen, R. A. J.; Fraanje, J.","Structure of methyl (4a<i>S</i>,5<i>R</i>,7a<i>R</i>,11a<i>R</i>,12a<i>S</i>)-2-benzyl-2,3,4,4a,5,6,7,7a,8,10,11a,12-dodecahydro-7,7-(ethylenedioxy)-1,9-dioxooxazolo[3',4':1,2]pyrrolo[5,4-<i>i</i>]isoquinoline-5-carboxylate toluene (2/1)","Acta Crystallographica Section C","1991","47","7","1554","1557","10.1107/S0108270191000653","","","1.54184","cu","","","","","","","","","","","","","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2000392","12.488","0.005","10.372","0.005","8.335","0.005","84.95","0.05","108.74","0.05","98.51","0.05","1010.2","0.9","","","","","","","","","","","","4","P 1","P 1","1","","","","- C20 H19 O3.5 S3 -","- C20 H19 O3.5 S3 -","- C40 H38 O7 S6 -","2","2","GE0310","Dillen, J. L. M.; Roos, H. M.","Structure of tris(5-acetyl-3-thienyl)methane-ethanol (2/1) inclusion compound","Acta Crystallographica Section C","1992","48","12","2229","2231","10.1107/S0108270192003202","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:42",""
"2000686","10.673","0.003","15.776","0.003","16.103","0.004","122.77","0.02","110.09","0.02","68.13","0.02","2080.5","1","","","","","","","","","","","","3","P 1","P 1","1","","","","- C67 H120 O38 -","- C68 H110 O39 -","- C68 H110 O39 -","1","1","PA0255","Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G.","Structure of the (1:1:1) complex 2<i>a</i>,2<i>b</i>,2<i>c</i>,2<i>d</i>,2<i>e</i>,2<i>f</i>,3<i>a</i>,3<i>g</i>,6<i>a</i>,6<i>b</i>,6<i>c</i>,6<i>d</i>,6<i>e</i>,6<i>f</i>,6<i>g</i>-pentadeca-<i>O</i>-methyl-β-cyclodextrin-1,7-dioxaspiro[5.5]undecane-methanol","Acta Crystallographica Section C","1992","48","8","1466","1471","10.1107/S0108270192000520","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2000855","6.46","0.002","8.917","0.003","15.616","0.005","83.6","0.03","83.41","0.02","89.52","0.02","888","0.5","","","","","","","","","","","","4","P 1","P 1","1","","","","- C15 H26 O4 S2 -","- C15 H26 O4 S2 -","- C30 H52 O8 S4 -","2","2","ST0549","Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.","Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer","Acta Crystallographica Section C","1992","48","6","1145","1148","10.1107/S0108270191013379","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2001143","13.003","0.003","13.639","0.004","9.861","0.002","110.26","0.02","100.94","0.02","109.35","0.02","1453.5","0.8","294","","","","","","","","","","","6","P 1","P 1","1","","","","- C30 H66 Cl6 Er2 N6 O42 -","- C30 H66 Cl6 Er2 N6 O48 -","- C30 H66 Cl6 Er2 N6 O48 -","1","1","OH1031","Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.","Structure of an erbium complex with <small>L</small>-proline","Acta Crystallographica Section C","1993","49","12","2086","2089","10.1107/S0108270193005311","","","0.71069","MoKα","","","0.024","","","0.028","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001200","8.684","0.002","10.1","0.002","10.109","0.003","71.55","0.02","85.42","0.02","73.97","0.02","808.3","0.4","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 Fe O2 P2 -","- C38 H33 Fe O2 P2 -","- C38 H33 Fe O2 P2 -","1","1","HH1031","Shawkataly, O. B.; Khalil, H.; Fun, H.-K.; Chinnakali, K.; Teoh, S.-G.; Ito, Y.; Sawamura, M.","Structure of (<i>R</i>)-1-[(<i>S</i>)-1',2-bis(diphenylphosphino)ferrocenyl]ethyl acetate","Acta Crystallographica Section C","1993","49","11","1898","1900","10.1107/S0108270193003063","","","0.71069","MoKα","","","0.0483","","","0.0384","","","","","0.87","0.87","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2001374","8.9982","0.0006","9.1024","0.0007","16.774","0.0007","88.285","0.005","74.676","0.005","63.459","0.006","1179.19","0.15","296","","","","","","","","","","","6","P 1","P 1","1","","","","- C21 H27 Cl O4 P2 Pd -","- C21 H26.5 Cl O4 P2 Pd -","- C42 H53 Cl2 O8 P4 Pd2 -","2","2","HA1039","Manojlović-Muir, L.; Cross, R. J.; Hoyle, R. W.","Structure of (η^5^-cyclopentadienyl)bis(dimethylphenylphosphine)palladium(II) perchlorate","Acta Crystallographica Section C","1993","49","9","1603","1606","10.1107/S0108270193002604","","","0.71069","MoKα","","","0.0238","","","0.0312","","","","","1.63","1.63","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2001460","10.159","0.002","13.533","0.005","10.016","0.003","108.1","0.02","102.92","0.02","96.3","0.02","1251.6","0.7","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","(1S,3S)-3-acetyl-5-methoxy-3-methylthio-1,2,3,4- tetrahydronaphthalene-1,8-diyl di(benzoate)","","- C28 H26 O6 S -","- C28 H26 O6 S -","- C56 H52 O12 S2 -","2","2","AS1040","Kamei, S.; Sakai, Y.; Ohashi, Y.; Adachi, A.; Tanino, K.; Kuwajima, I.","Structure of an optically active anthracycline precursor","Acta Crystallographica Section C","1993","49","8","1509","1511","10.1107/S0108270193000988","","","1.54184","CuKα","","","0.0425","","","0.0556","","","","","2.45","2.45","","","","","has coordinates","190526","2020-10-21","18:00:00",""
"2001540","15.106","0.007","13.57","0.005","7.386","0.003","101.55","0.02","94.18","0.02","92.49","0.02","1476.8","1.1","303","","303","","","","","","","","","6","P 1","P 1","1","","(N,N'-o-Phenylenedisalicylideneaminato)iron(III)chloride","","- C20 H14 Cl Fe N2 O2 -","- C20 H14 Cl Fe N2 O2 -","- C60 H42 Cl3 Fe3 N6 O6 -","3","3","SH1030","Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.","Structure of [<i>N</i>,<i>N</i>'-<i>o</i>-phenylenebis(salicylideneaminato)]iron(III) chloride as a five-coordinate monomer","Acta Crystallographica Section C","1993","49","7","1365","1367","10.1107/S0108270193000617","","","0.71069","MoKα","","","0.0484","","","0.0466","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002296","5.268","","8.458","","5.07","","90","0","118.78","","90","0","198","","","","","","","","","","","","","3","P 1","P 1","1","","Dialuminium lead oxide","","- Al2 O4 Pb -","- Al2 O4 Pb -","- Al4 O8 Pb2 -","2","2","","Ploetz, K B; Mueller-Buschbaum, Hk","Synthese und Aufbau von Pb Al2 O4 und Pb Ga2 4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","488","","38","44","10.1002/zaac.19824880104","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002297","5.387","","8.575","","5.22","","90","0","118.99","","90","0","210.9","","","","","","","","","","","","","3","P 1","P 1","1","","Digallium lead oxide","","- Ga2 O4 Pb -","- Ga2 O4 Pb -","- Ga4 O8 Pb2 -","2","2","","Ploetz, K B; Mueller-Buschbaum, Hk","Synthese und Aufbau von Pb Al2 O4 und Pb Ga2 4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","488","","38","44","10.1002/zaac.19824880104","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002403","7.9018","0.0094","8.2008","0.0082","5.8718","0.0068","96.506","0.039","94.033","0.09","110.27","0.102","352.2","","","","","","","","","","","","","3","P 1","P 1","1","","Dicopper(I) tungstate","","- Cu2 O4 W -","- Cu2 O4 W -","- Cu8 O16 W4 -","4","4","","Mumm, H C; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Cu2 W O4","Journal of the Less-Common Metals","1988","142","","85","90","10.1016/0022-5088(88)90165-8","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002526","5.939","0.002","6.042","0.002","5.025","0.002","112.3","0.01","92.84","0.01","111.77","0.01","151.1","","","","","","","","","","","","","4","P 1","P 1","1","","Copper yttrium ditungsten octaoxide","","- Cu O8 W2 Y -","- Cu O8 W2 Y -","- Cu O8 W2 Y -","1","1","","Mueller-Buschbaum, Hk; Krueger, T","Ein Beitrag zur Kristallstruktur von Cu Y W2 O8, Cu Ho W2 O8 und Cu Yb W2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","607","","52","56","10.1002/zaac.19926070111","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002544","6.074","0.008","6.083","0.007","5.006","0.007","112.45","0.07","91.86","0.05","110.28","0.08","157.4","","","","","","","","","","","","","4","P 1","P 1","1","","Copper(I) bismuth ditungstate","","- Bi Cu O8 W2 -","- Bi Cu O8 W2 -","- Bi Cu O8 W2 -","1","1","","Krüger, T. F.; Müller-Buschbaum, Hk.","Ein mit β-CuNdW~2~O~8~ und β-LiYbW~2~O~8~ verwandtes Kupfer-Wismut-Oxowolframat: CuBiW~2~O~8~","Journal of Alloys and Compounds","1992","190","1","L1","L3","10.1016/0925-8388(92)90156-4","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","200131","2020-10-21","18:00:00",""
"2002735","6.757","0.0015","8.155","0.002","9.816","0.002","106.053","0.013","104.401","0.009","102.093","0.014","480.4","","","","","","","","","","","","","4","P 1","P 1","1","","Sodium triiron trivanadium dodecaoxide","","- Fe3 Na O12 V3 -","- Fe3 Na O12 V3 -","- Fe6 Na2 O24 V6 -","2","2","","Martin, F-D; Mueller-Buschbaum, Hk","Eine synthetische Spezies zum Mineral Howardevansit mit Eisen anstelle von Kupfer: Na Fe3 V3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","51","55","","","","","","","0.0813","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003000","8.075","0.002","8.871","0.002","11.606","0.002","72.69","0.03","80.07","0.03","71.84","0.03","751.3","0.3","153","2","153","2","","","","","","","","3","P 1","P 1","1","Emycin_E","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","2","JZ0006","Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.","Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers","Acta Crystallographica Section B","1999","55","4","607","616","10.1107/S0108768199003948","","","0.71073","MoKα","","0.0779","0.0526","","","","0.1178","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003002","8.279","0.002","11.539","0.003","11.962","0.003","101.32","0.02","110.25","0.02","92.76","0.02","1042.9","0.5","153","2","153","2","","","","","","","","4","P 1","P 1","1","O-brominebenzoyl-Emycin_D","","","- C26 H19 Br O5 -","- C26 H19 Br O5 -","- C52 H38 Br2 O10 -","2","2","JZ0006","Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.","Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers","Acta Crystallographica Section B","1999","55","4","607","616","10.1107/S0108768199003948","","","0.71073","MoKα","","0.0334","0.0307","","","","0.0892","","","","","","1.298","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003056","7.635","0.002","8.202","0.005","9.442","0.003","109.08","0.01","103.46","0.01","107.03","0.01","497.7","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H27 Co N10 O2 -","- C14 H22 Co N10 O2 -","- C14 H22 Co N10 O2 -","1","1","OA0016","Steve C.F. Au-Yeung","Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes","Acta Crystallographica Section B","1999","55","3","389","395","10.1107/S0108768198014281","","","0.71073","MoKα","","0.0802","0.0614","","0.082","0.0741","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003104","5.1933","0.0003","5.4064","0.0003","13.6968","0.0007","91.516","0.002","98.603","0.002","110.376","0.002","355.16","0.03","150","2","150","2","","","","","","","","4","P 1","P 1","1","","L-Isoleucine:D-Leucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","1","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","","0.0665","0.0526","","0.134","0.1181","","","","1.119","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003168","10.563","0.002","10.603","0.003","12.25","0.003","97.68","0.04","99.34","0.03","93.11","0.02","1337.6","0.5","293","","","","","","","","","","","8","P 1","P 1","1","","","","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","1","1","","Carriedo, Gabino A.; Fernández, Lucia; Gómez, Paloma; Garcia-Granda, Santiago; Velázquez, Amador Menéndez","cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese‒Carbonyl Complex with a Phosphazenylphosphine Ligand","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","20","23","10.1107/s0108270194006943","","","0.71073","MoKα","","","0.0442","","0.1144","0.1082","","","","0.957","1.112","1.112","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003296","6.7639","0.0002","8.0105","0.0001","9.3111","0.0001","95.703","0.001","106.774","0.001","92.499","0.002","479.254","0.017","293","2","293","2","","","","","","","diffusion of petroleum ether into a solution of (1) in ethyl acetate","5","P 1","P 1","1","","(5R,6S,7R,9R,13S,14R)-7-Chloro-7-cyano-4,5-epoxy-3,6-dimethoxy-N-methyl- 6,14-ethenoisomorphinane","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","1","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0476","0.0475","","0.1362","0.136","","","","1.126","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003461","10.568","0.004","10.622","0.006","8.545","0.004","106.39","0.04","107.5","0.03","83.38","0.04","877.1","0.8","24","","297","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","2","HU1137","Fortes, A. G.; Johnstone, R. A. W.; Whittaker, D.; Lewis, N. J.","Fortesyl 2-Phenylpropionate. An Example of a Novel Hydrocarbon Skeleton Containing Three Fused Five-Membered Rings","Acta Crystallographica Section C","1995","51","5","914","916","10.1107/S0108270194012552","","","0.71069","MoKα","","","0.0712","","","0.068","","","","","2.245","2.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003508","9.4","0.001","11.029","0.001","9.153","0.001","96.144","0.009","96.84","0.01","65.235","0.007","853.79","0.16","173","1","173","","","","","","","","see text","3","P 1","P 1","1","α,α-allo-trehalose trihydrate","α-D-allopyranosyl α-D-allopyranoside trihydrate","","- C12 H28 O14 -","- C12 H28 O14 -","- C24 H56 O28 -","2","2","SH1108","Linden, A.; Lee, C. K.","α,α-<i>allo</i>-Trehalose Trihydrate","Acta Crystallographica Section C","1995","51","5","1007","1012","10.1107/S0108270194012102","","","0.71069","MoKα","","0.0285","0.027","","0.0322","0.032","","","","","1.817","1.817","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003516","6.116","0.002","16.656","0.004","6.007","0.003","99.29","0.03","100.94","0.03","99.05","0.02","581.7","0.4","243","","","","","","","","","","","5","P 1","P 1","1","","","","- C5 H18 N Na O9 -","- C5 H17.5 N Na O9 -","- C10 H35 N2 Na2 O18 -","2","2","AS1110","Kashiwagi, T.; Sano, C.; Kawakita, T.; Nagashima, N.","Monosodium <small>L</small>-Glutamate Pentahydrate","Acta Crystallographica Section C","1995","51","6","1053","1056","10.1107/S0108270194014472","","","1.5418","CuKα","","","0.056","","","0.076","","","","","3.06","3.06","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003543","10.232","0.003","14.964","0.007","6.826","0.004","93.81","0.04","98.02","0.03","104.37","0.03","997","0.8","295","1","","","","","","","","","natural product crystallized from water","4","P 1","P 1","1","","","","- C18 H29 N O7 -","- C18 H29 N O7 -","- C36 H58 N2 O14 -","2","2","FG1006","Parvez, M.; Benn, M. H.","Senecivernine Dihydrate","Acta Crystallographica Section C","1995","51","6","1202","1204","10.1107/S0108270194012904","","","0.71069","MoKα","","","0.0802","","","0.0804","","","","","3.43","3.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003587","9.1706","0.0041","9.3871","0.0073","9.5577","0.0027","112.988","0.057","113.552","0.022","93.402","0.051","671.3","0.8","250","","250","","","","","","","","synthetic","7","P 1","P 1","1","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-π-allyl-palladium(II)- hexa-fluorophosphat","","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","1","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0176","","","0.0206","","","","","1.0996","1.0996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003597","30.912","0.007","7.719","0.002","6.184","0.006","95.4","0.07","87.16","0.07","94.85","0.02","1462.5","1.5","293","","293","","","","","","","","crystallized from toluene","4","P 1","P 1","1","","4-(2,2,3,3,4,4,4-heptafluorobutyloxycarbonyl)phenyl undecyloxybenzoate","","- C29 H33 F7 O5 -","- C29 H33 F7 O5 -","- C58 H66 F14 O10 -","2","2","PA1138","Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T.","A Mesogenic Perfluorinated Compound","Acta Crystallographica Section C","1995","51","6","1229","1231","10.1107/S0108270194013582","","","0.71069","MoKα","","","0.0452","","","0.0459","","","","","1.229","1.229","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2003673","4.558","0.001","4.747","0.001","8.15","0.002","76.92","0.02","75.61","0.02","82.17","0.02","165.78","0.07","293","2","293","2","","","","","","","","3","P 1","P 1","1","","2,3-Dideoxy-D-erythro-hex-2-enono-1,4-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C6 H8 O4 -","1","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0463","0.0372","","0.0944","0.0916","","","","0.946","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003825","7.624","0.002","10.027","0.002","12.001","0.003","97.46","0.01","106.79","0.01","108.76","0.01","806.2","0.3","294","2","294","2","","","","","","","","5","P 1","P 1","1","","[(Aqua)(L-serinato)(1,10-phenantroline) copper(II)] nitrate.","","- C15 H16 Cu N4 O7 -","- C15 H16 Cu N4 O7 -","- C30 H32 Cu2 N8 O14 -","2","2","NA1141","Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R.","Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate","Acta Crystallographica Section C","1995","51","8","1505","1508","10.1107/S0108270195002010","","","0.71073","MoKα","","0.0516","0.0383","","0.107","0.1018","","","","1.046","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003876","5.584","0.002","9.042","0.003","10.902","0.003","77.06","0.03","78.75","0.02","87.98","0.03","526.1","0.3","160","2","160","2","","","","","","","","5","P 1","P 1","1","","S-(4''-methylphenyl)(2'R,4S)-2'-(benzyloxycarbonylamino)- 2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethiolate","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C22 H25 N O5 S -","1","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.049","0.0431","","0.1246","0.1158","","","","1.121","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004283","12.16","0.005","12.482","0.005","14.755","0.005","68.172","0.005","80.307","0.005","61.792","0.005","1832","1.2","100","","100","","","","","","","","","4","P 1","P 1","1","","1,1,4,4-Tetraphenyl-1,3-butadiene-lithium-tris(dimethoxyethane)","","- C40 H52 Li O6 -","- C40 H52 Li O6 -","- C80 H104 Li2 O12 -","2","2","KH1040","Näther, C.; Bock, H.; Bolte, M.","Tris(1,2-dimethoxyethane)lithium 1,1,4,4-Tetraphenyl-1,3-butadiene Radical Anion","Acta Crystallographica Section C","1995","51","12","2510","2514","10.1107/S0108270195007396","","","0.7106","MoKα","","0.0623","0.0433","","0.1289","0.1198","","","","1.043","1.088","1.088","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004377","14.265","0.004","14.261","0.003","3.305","0.001","88.41","0.02","91.7","0.03","119.95","0.03","582.2","0.3","295","2","","","","","","","","","","4","P 1","P 1","1","","","","- C Li Na O3 -","- C Li Na O3 -","- C9 Li9 Na9 O27 -","9","9","","Yatsenko, Alexandr V.; Zhukov, Sergei G.; D'yakov, Vladimir A.; Schenk, Hendrik.","Triclinic α-LiNaCO~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","1","1","3","10.1107/s0108270195010584","","","","","","","","","","","","","","","","","","","","","has coordinates","200801","2020-10-21","18:00:00",""
"2004427","8.818","0.002","10.875","0.001","12.023","0.002","110.45","0.01","92.53","0.02","107.3","0.01","1017.2","0.3","293","","293","","","","","","","","","5","P 1","P 1","1","","7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10) anthracenophane, (HClO~4~)~2~,C~6~H~5~CH~3~","","- C39 H54 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","1","1","PA1177","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","Molecular, Crystal Structure and Fluorescence Emission Properties of Diprotonated 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10)anthracenophane (<i>A</i>~33~.2H^+^)","Acta Crystallographica Section C","1996","52","1","113","116","10.1107/S0108270195007979","","","1.54178","CuKα","","","0.06","","","0.048","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004536","5.222","0.002","8.389","0.002","4.759","0.001","93.04","0.03","102.59","0.02","92.57","0.02","202.84","0.1","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","1","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.1051","0.0463","","0.1346","0.1017","","","","1.168","1.151","1.151","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004670","10.89","0.001","17.714","0.003","8.94","0.001","97.24","0.01","105.824","0.008","93.82","0.01","1636.8","0.4","243","2","243","2","","","","","","","","6","P 1","P 1","1","","(S)-(+)-[(benzyloxymethyl)(tert-butyl)methylsilyl] methyl ketone 2,4,6- triisopropylphenylsulfonylhydrazone","","- C30 H48 N2 O3 S Si -","- C30 H48 N2 O3 S Si -","- C60 H96 N4 O6 S2 Si2 -","2","2","AB1320","Bratovanov, S.; Linden, A.; Bienz, S.","Absolute Configuration of (<i>S</i>)-(+)-[(Benzyloxymethyl)(<i>tert</i>-butyl)methylsilyl] Methyl Ketone","Acta Crystallographica Section C","1996","52","4","1045","1047","10.1107/S0108270195014338","","","0.71073","MoKα","","0.0853","0.0501","","0.1446","0.127","","","","1.012","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004731","9.796","0.004","17.725","0.007","6.042","0.001","97.22","0.02","95.7","0.02","104.65","0.03","997.5","0.6","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 Br N2 O4 -","- C20 H23 Br N2 O4 -","- C40 H46 Br2 N4 O8 -","2","2","FG1126","Parvez, M.; Rusiewicz, M.","Absolute Configuration of <small>D</small>-Brompheniramine Maleate","Acta Crystallographica Section C","1996","52","4","901","904","10.1107/S0108270195015125","","","0.71069","MoKα","","","0.035","","","0.039","","","","","1.262","1.262","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004810","4.829","0.001","5.843","0.001","13.61","0.002","83.39","0.01","86.16","0.01","82.63","0.02","377.78","0.12","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","1","1","PT1033","Aakeröy, C. B.; Nieuwenhuyzen, M.","4-Methylbenzylammonium 4-Methylbenzylcarbamate","Acta Crystallographica Section C","1996","52","4","957","960","10.1107/S0108270195013849","","","0.71073","MoKα","","","0.0658","","","0.1714","","","","","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004843","8.5033","0.0008","8.8856","0.0006","10.773","0.001","101.29","0.01","97.7","0.01","118.42","0.01","677.24","0.14","299","","","","","","","","","","","3","P 1","P 1","1","","azuleno[4,5-b]furan-2(3H)-one, 3a,4,5,7,8,9,9a,9b-octahydro-9-hydroxy- 3,6,9-trimethyl-[3S-(3α,3aα,9α,9aα,9bβ)]","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","BK1193","Castañeda-Acosta, J.; Fischer, N. H.; Fronczek, F. R.","The Guaianolide 11β<i>H</i>,13-Dihydromicheliolide","Acta Crystallographica Section C","1996","52","5","1263","1266","10.1107/S0108270195015435","","","0.71073","Mo-Kα","","","0.04","","","0.048","","","","","2.72","2.72","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2005071","7.813","0.002","8.058","0.002","10.212","0.002","92.44","0.03","105.51","0.03","106.03","0.03","590.7","0.3","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(5R)-5-[(1''S)-Hydroxybenzyl]-5-(l-menthyloxy)-4-(pyrrolidin-yl)furan-2(5H)- one","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C25 H35 N O4 -","1","1","AB1288","Alonso, I.; López-Solera, I.; Raithby, P. R.","(5<i>R</i>)-5-[(<i>S</i>)-α-Hydroxybenzyl]-5-(<small>L</small>-menthyloxy)-4-(1-pyrrolidinyl)furan-2(5<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1743","1745","10.1107/S0108270196001023","","","0.71073","MoKα","","0.1563","0.0742","","0.1683","0.1324","","","","1.02","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005175","10.788","0.006","8.748","0.004","8.966","0.004","103.91","0.04","111.14","0.03","103.85","0.05","714.7","0.7","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","1","1","PT1022","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Conformation and Packing of Cobalt(III) Sepulchrate Dihydrogentriphosphate Hexahydrate","Acta Crystallographica Section C","1996","52","7","1624","1627","10.1107/S0108270196001412","","","0.7107","MoKα","","","0.0278","","","0.038","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005192","9.179","0.002","11.104","0.003","12.202","0.002","84.08","0.02","83.98","0.01","75.52","0.02","1193.7","0.5","120","2","120","2","","","","","","","","4","P 1","P 1","1","Gly-Leu-Tyr","Glysyl-L-Leucyl-L-Tyrosin 2 H~2~O 2-propanol","","- C20 H37 N3 O8 -","- C20 H37 N3 O8 -","- C40 H74 N6 O16 -","2","2","AB1338","Dalhus, B.; Görbitz, C. H.","Glycyl-<small>L</small>-Leucyl-<small>L</small>-Tyrosine Dihydrate 2-Propanol Solvate","Acta Crystallographica Section C","1996","52","8","2087","2090","10.1107/S0108270196002041","","","0.71069","MoKα","","0.1068","0.0789","","0.2492","0.222","","","","1.076","1.165","1.165","","","","","has coordinates,has disorder","194533","2020-10-21","18:00:00",""
"2005231","8.814","0.001","10.329","0.002","13.248","0.005","74.19","0.03","88.31","0.02","85.65","0.02","1157.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H26 Cl2 N4 O3 -","- C23 H26 Cl2 N4 O3 -","- C46 H52 Cl4 N8 O6 -","2","2","CF1077","Bolte, M.","Nearly Centrosymmetric (<i>S</i>)-7-(2,6-Dichlorobenzyl)-8-(3-oxocyclopentyl)-1,3-dipropyl-7<i>H</i>-purine-2,6-dione","Acta Crystallographica Section C","1996","52","8","1985","1987","10.1107/S0108270196002570","","","1.5418","CuKα","","0.0639","0.0627","","0.2054","0.193","","","","1.128","1.121","1.121","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005258","7.345","0.003","10.532","0.003","15.129","0.004","102","0.02","100.16","0.02","80.99","0.03","1118","0.6","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","2","KA1137","Stankovic, S.; Lazar, D.; Miljkovic, D.; Medic-Mijacevic, L.; Gasi, K.; Kovacevic, R.; Courseille, C.","17α-Benzyl-17β-hydroxy-16-hydroxyimino-3-methoxyestra-1,3,5(10)-triene","Acta Crystallographica Section C","1996","52","8","2037","2040","10.1107/S0108270195011309","","","1.54184","CuKα","","","0.067","","","0.068","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005267","8.398","0.002","9.858","0.002","12.781","0.003","94.89","0.01","103.94","0.02","113.36","0.02","923.2","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","β-zearalenol sesquihydrate","","- C18 H27 O6.5 -","- C18 H27 O6.5 -","- C36 H54 O13 -","2","2","KA1204","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","β-Zearalenol Sesquihydrate","Acta Crystallographica Section C","1996","52","8","1995","1997","10.1107/S0108270196006415","","","1.54178","CuKα","","0.0361","0.0342","","0.091","0.0886","","","","1.068","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005352","9.9019","0.0014","12.2972","0.0015","8.9716","0.0012","108.28","0.02","110.66","0.02","86.16","0.02","969.4","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","[1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)3-oxa- 2,4-diolatopentane][N,N,N,N-tetramethylethylenediamine]copper(II)","","- C12 H16 Cu F12 N2 O3 -","- C12 H16 Cu F12 N2 O3 -","- C24 H32 Cu2 F24 N4 O6 -","2","2","FG1118","Hynes, R. C.; Willis, C. J.; Payne, N. C.","A Condensed Dialkoxide Complex of Copper(II), [(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O]","Acta Crystallographica Section C","1996","52","9","2173","2176","10.1107/S0108270196005811","","","0.71073","MoKα","","0.0552","0.0401","","0.1022","0.0936","","","","1.035","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005413","18.056","0.003","15.446","0.002","15.452","0.002","103.159","0.005","112.994","0.005","99.352","0.005","3707.8","0.9","293","2","293","2","","","","","","","","3","P 1","P 1","1","β-Cyclodextrin-nonanoic acid complex","cyclomaltoheptaose-nonanoic acid complex","","- C98.4 H216.6 O97.1 -","- C98.4 H92 O97.08 -","- C98.4 H92 O97.08 -","1","1","PA1218","Rontoyianni, A.; Mavridis, I. M.","β-Cyclodextrin Nonanoic Acid 1:1 Complex","Acta Crystallographica Section C","1996","52","9","2277","2281","10.1107/S0108270196002156","","","0.71069","MoKαNb-filtered","","0.127","0.0783","","0.2939","0.2069","","","","1.094","0.978","0.978","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005510","8.1522","0.0012","8.891","0.0008","8.9605","0.0008","82.552","0.008","89.561","0.004","63.421","0.004","575","0.11","173","2","173","2","","","","","","","","6","P 1","P 1","1","","(cis-1,2-Dichlorovinyl)bis(dimethylglyoximato-N,N')(pyridine)cobalt(III) Chloroform Solvate","","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","1","1","FG1202","Jones, P. G.; Yang, L.; Steinborn, D.","(<i>cis</i>-1,2-Dichlorovinyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III) Chloroform Solvate, [Co(dmgH)~2~(py)(CCl=CHCl)].CHCl~3~","Acta Crystallographica Section C","1996","52","10","2399","2402","10.1107/S0108270196007810","","","0.71073","MoKα","","0.0303","0.0291","","0.0752","0.0746","","","","1.053","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005717","5.655","0.001","12.248","0.002","4.736","0.001","99.54","0.01","106.34","0.01","96.27","0.01","306.19","0.1","173","","173","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","1","1","BK1257","Ojala, W. H.; Gleason, W. B.","Mannose Phenylhydrazone, an Acyclic Monosaccharide Derivative","Acta Crystallographica Section C","1996","52","12","3188","3190","10.1107/S0108270196009882","","","1.5418","CuKα","","","0.027","","","0.033","","","","","2.46","2.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005806","5.113","0.002","8.279","0.002","14.86","0.005","93.01","0.02","96.27","0.03","99.87","0.03","614.4","0.4","292","","292","","","","","","","","","4","P 1","P 1","1","","L-Argininium squarate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","NA1228","Angelova, O.; Velikova, V.; Kolev, T.; Radomirska, V.","Crystalline Complexes Involving Amino Acids. I. <small>L</small>-Argininium Hydrogen Squarate","Acta Crystallographica Section C","1996","52","12","3252","3256","10.1107/S0108270196010219","","","0.71073","MoKα","","0.055","0.039","","0.052","0.052","","","","1.011","1.026","1.026","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005819","7.732","0.004","8.879","0.006","9.772","0.008","66.92","0.06","85.13","0.06","64.39","0.04","553.6","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Lithium Bis(1,6-anhydro-β-D-glucosidato(2-)-O^2^,O^4^)cuprate(II) Octahydrate","","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","1","1","SK1042","Gack, C.; Klüfers, P.","A Homoleptic Cuprate(II) Complex with Deprotonated 1,6-Anhydro-β-<small>D</small>-glucose (Levoglucosan) Ligands","Acta Crystallographica Section C","1996","52","12","2972","2975","10.1107/S010827019600947X","","","0.71073","MoKα","","0.0362","0.0342","","0.0899","0.0871","","","","1.067","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005873","9.141","0.002","9.16","0.002","10.736","0.004","90.28","0.02","90.52","0.02","90.11","0.02","898.9","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- K2 Mg O10 P2 W -","- K2 Mg O10 P2 W -","- K8 Mg4 O40 P8 W4 -","4","4","JZ1148","Peuchert, U.; Bohatý, L.; Schreuer, J.","The Triclinic Room-Temperature Modification of K~2~MgWO~2~(PO~4~)~2~","Acta Crystallographica Section C","1997","53","1","11","14","10.1107/S0108270196011389","","","0.71073","MoKα","","0.0227","0.0213","","0.0514","0.0507","","","","1.067","1.071","1.071","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006099","3.725","0.001","4.773","0.001","4.936","0.001","107.03","0.02","107.23","0.02","101.57","0.02","76.08","0.04","293","","293","","","","","","","","","3","P 1","P 1","1","tetrazole","α-1H-1,2,3,4-tetrazole","","- C H2 N4 -","- C H2 N4 -","- C H2 N4 -","1","1","CF1151","Goddard, Richard; Heinemann, Oliver; Krüger, Carl","α-1<i>H</i>-1,2,3,4-Tetrazole","Acta Crystallographica Section C","1997","53","5","590","592","10.1107/S0108270197000772","","","0.71069","MoKα","","0.0436","0.042","","0.101","0.099","","","","1.111","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006339","4.7378","0.0003","7.5284","0.0006","13.1036","0.0011","87.836","0.007","86.108","0.006","77.183","0.006","454.56","0.06","130","2","130","2","","","","","","","","4","P 1","P 1","1","lactosylurea","4-O-beta-D-galactopyranosyl-D-glucopyranosyl urea","","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","1","1","SX1015","Marilyn M. Olmstead; Ming Hu; Mark J. Kurth; John M. Krochta; You-Lo Hsieh","Lactosylurea Dihydrate","Acta Crystallographica Section C","1997","53","7","915","916","10.1107/S0108270197002849","","","1.54178","CuKα","","0.0275","0.0271","","0.0694","0.0689","","","","1.072","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006667","5.1318","0.0002","6.9156","0.0003","14.9166","0.0006","83.3087","0.0014","88.388","0.002","71.835","0.002","499.55","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","Pseudouridine","2,4(1H,3H)-Pyrimidinedione,5-β-D-ribofuranosyl","","- C9 H12 N2 O6 -","- C9 H12 N2 O6 -","- C18 H24 N4 O12 -","2","2","FG1303","Hempel, Andrew; Lane, Byron G.; Camerman, Norman","Pseudouridine","Acta Crystallographica Section C","1997","53","11","1707","1709","10.1107/S0108270197009323","","","0.71013","MoKα","","0.2477","0.0918","","0.2851","0.1898","","","","0.927","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007300","4.851","0.004","6.288","0.005","9.781","0.008","99.96","0.07","101.26","0.07","91.04","0.07","287.8","0.4","150","1","150","2","","","","","","","","4","P 1","P 1","1","3-acetamido-2-nitrobenzyl acetate","3-acetamido-2-nitrobenzyl acetate","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","1","1","BM1149","Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof","Nitro Derivatives of 3-Acetamidobenzyl Acetate","Acta Crystallographica Section C","1998","54","6","863","867","10.1107/S0108270197008123","","","0.71073","MoKα","","0.0454","0.0371","","0.1047","0.0971","","","","1.144","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007392","5.7473","0.0003","7.6109","0.0007","9.0705","0.0009","70.19","0.008","85.259","0.006","78.188","0.006","365.34","0.06","296","","","","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O5 -","- C15 H21.92 O5 -","- C15 H21.92 O5 -","1","1","SX1065","Thalji, Reema K.; Pentes, Howard G.; Fischer, Nikolaus H.; Fronczek, Frank R.","8-Desacetoxy-11β<i>H</i>,13-dihydroperoxyferolide, a Sesquiterpene Lactone Hydroperoxide","Acta Crystallographica Section C","1998","54","6","861","863","10.1107/S0108270197020088","","","1.54184","CuKα","","","0.04","","","0.054","","","","","1.94","1.94","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2007494","6.235","0.009","13.137","0.01","25.73","0.03","88.05","0.09","86.38","0.1","84.5","0.09","2093","4","293","2","293","2","","","","","","","","3","P 1","P 1","1","Seychellogenin","3β-Hydroxy-20(S)-Holost-7,9-dien","","- C31 H48.67 O3.67 -","- C31 H48.6667 O3.66667 -","- C93 H146 O11 -","3","3","AV1012","Ilyin, Sergey G.; Antonov, Alexander S.; Stonik, Valentine A.; Antipin, Michael Yu.; Elyakov, Georgy B.","(20<i>S</i>)-3β-Hydroxyholosta-7,9-diene","Acta Crystallographica Section C","1998","54","8","1156","1158","10.1107/S0108270198001966","","","0.71069","MoKα","","0.1888","0.0843","","0.1256","0.1208","","","","1.829","2.484","2.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007737","6.6977","0.0007","7.9438","0.0005","10.81","0.0013","72.643","0.008","85.549","0.009","88.011","0.007","547.26","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Complex of (-)-Morphine with β-Phenylhydracrylic Acid","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C26 H29 N O6 -","1","1","LN1054","Lutz, Martin; Spek, Anthony L.","Complex of ({-})-Morphine with β-Phenylhydracrylic Acid","Acta Crystallographica Section C","1998","54","10","1477","1479","10.1107/S010827019800506X","","","0.71073","MoKα","","0.1096","0.0507","","","","0.1215","","","","","","1.049","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007843","8.341","0.0011","9.2516","0.0011","13.522","0.002","81.329","0.009","84.722","0.009","68.05","0.007","956","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(S)-5-fluoroformyl-1-triphenylmethylpyrrolid-2-one","","- C24 H20 F N O2 -","- C24 H20 F N O2 -","- C48 H40 F2 N2 O4 -","2","2","NA1368","Vassilios Nastopoulos; George Karigiannis; Petros Mamos; Dionissios Papaioannou; Constantin Kavounis","(<i>S</i>)-<i>N</i>-Triphenylmethylpyroglutamyl Fluoride","Acta Crystallographica Section C","1998","54","11","1718","1720","10.1107/S010827019800729X","","","0.71069","MoKα","","0.07","0.042","","","","0.12","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007963","6.416","0.003","10.109","0.004","10.2","0.004","109.8","0.04","103.93","0.04","95.95","0.03","591.6","0.5","150","2","150","2","","","","","","","","5","P 1","P 1","1","","tris[tris{(2-hydroxymethyl)methyl}ammonium] D-3-phosphoglycerate","","- C15 H40 N3 O16 P -","- C15 H40 N3 O16 P -","- C15 H40 N3 O16 P -","1","1","KA1281","Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K","Acta Crystallographica Section C","1998","54","12","2015","2019","10.1107/S0108270198007732","","","0.71073","MoKα","","0.0427","0.0313","","0.0887","0.082","","","","1.128","1.117","1.117","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007991","9.2032","0.0008","14.792","0.004","7.483","0.002","101.15","0.02","96.175","0.014","88.701","0.013","993.7","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","C-Trp","Cytosynyl-tryptophan","","- C36 H50 N10 O14 -","- C36 H46 N10 O14 -","- C36 H46 N10 O14 -","1","1","OS1006","Mitsunobu Doi; Mariko Tarui; Mihoko Ogata; Akiko Asano; Toshimasa Ishida","A Cytosine and Tryptophan Hybrid Dipeptide: Cytosinyl-<small>L</small>-tryptophan‒Water (2/6)","Acta Crystallographica Section C","1998","54","12","1941","1943","10.1107/S0108270198008051","","","1.5418","CuKα","","0.07","0.0537","","","","0.1677","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008097","12.146","0.003","12.682","0.006","10.842","0.008","115.26","0.04","93.17","0.04","86.49","0.03","1506.7","1.5","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C27 H37 N3 O4 S3 Zn -","- C27 H37 N3 O4 S3 Zn -","- C54 H74 N6 O8 S6 Zn2 -","2","2","OA1049","Nakai, Hiroshi; Kobayashi, Shinobu; Ozaki, Mamoru; Hayase, Yoshio; Takeda, Reiji","Micacocidin A","Acta Crystallographica Section C","1999","55","1","54","56","10.1107/S0108270198010920","","","0.7107","MoKα","","0.055","0.055","","","","0.065","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008143","6.229","0.002","7.3544","0.0007","15.137","0.003","90.8","0.01","97.34","0.02","113.63","0.01","628.5","0.3","293","1","293","1","","","","","","","","3","P 1","P 1","1","Taraxerone","Taraxerone","","- C30 H48 O -","- C30 H48 O -","- C30 H48 O -","1","1","DA1044","Parvez, Masood; Gul, Waseem; Yousaf, Mohammad; Choudhary, M. Iqbal; Atta-ur-Rahman; Khan, M. Riaz","Taraxerone","Acta Crystallographica Section C","1999","55","2","213","215","10.1107/S0108270198012463","","","1.54178","CuKα","","0.059","0.055","","","","0.148","","","","","","1.06","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008546","5.2624","0.0009","8.8737","0.0014","14.518","0.003","82.455","0.015","85.847","0.018","89.393","0.012","670.3","0.2","290","1","290","1","","","","","","","","4","P 1","P 1","1","","(2S,4S,5R)-(-)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3- oxazolidine","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","2","CF1298","Gallagher, John F.; Fitzsimons, Lavelle M.","Intermolecular N—H···O and C—H···O interactions form a two-dimensional network in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","6","1000","1003","10.1107/S0108270199002292","","","0.7107","MolybdenumKα","","0.078","0.052","","","","0.137","","","","","","1.004","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008640","5.88","0.001","7.449","0.001","11.197","0.001","98.41","0.01","90.13","0.01","91.97","0.01","484.86","0.11","293","","293","","","","","","","","","5","P 1","P 1","1","","(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","1","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","1.5418","CuKα","","0.0386","0.0371","","0.1137","0.1107","","","","1.05","1.056","1.056","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008853","9.556","0.003","11.007","0.003","12.713","0.004","111.67","0.02","107.02","0.02","99.25","0.02","1132.6","0.7","158","2","158","2","","","","","","","","4","P 1","P 1","1","","(1-D-1,2:5,6-di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol","","- C24 H29 O7 P -","- C24 H29 O7 P -","- C48 H58 O14 P2 -","2","2","TA1226","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-(diphenylphosphinoyl)-<i>chiro</i>-inositol, a hydrogen-bonded dimeric structure","Acta Crystallographica Section C","1999","55","8","1353","1355","10.1107/S0108270199006769","","","0.71073","MoKα","","0.097","0.068","","0.181","0.161","","","","0.998","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008943","5.1639","0.0001","5.4076","0.0001","13.1241","0.0002","91.779","0.001","98.138","0.001","111.823","0.001","335.393","0.011","150","2","150","2","","","","","","","","4","P 1","P 1","1","","L-Leucine:D-2-aminopentanoic acid","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","1","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","","0.048","0.04","","0.123","","0.114","","","1.053","","","1.083","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008952","7.2989","0.0001","9.2859","0.0001","12.4017","0.0001","89.4709","0.0003","87.8567","0.0002","70.768","0.0003","793.08","0.015","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C18.5 H26 O2.5 -","- C18.5 H26 O2.5 -","- C37 H52 O5 -","2","2","QA0149","Parrish, Damon A.; Pinkerton, A. Alan","Estradiol methanol hemisolvate","Acta Crystallographica Section C","1999","55","9","IUC9900100","","10.1107/S0108270199098856","","","0.71073","MoKα","","0.082","0.043","","","","0.116","","","","","","0.941","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009035","9.608","0.001","10.742","0.001","14.468","0.001","107.121","0.001","102.757","0.001","104.349","0.001","1311.1","0.2","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","1","1","NA1427","Decréau, Richard; Julliard, Michel; Giorgi, Michel","Bis(<i>epi</i>-globulyloxy)(phthalocyaninato)silicon, a new photosensitizer for the photodynamic therapy of cancer","Acta Crystallographica Section C","1999","55","10","1717","1719","10.1107/S0108270199008677","","","0.71073","MoKα","","","0.062","","","","0.114","","","","","","1.0181","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009178","9.986","0.001","14.823","0.002","9.514","0.001","98.24","0.01","91.32","0.01","80.49","0.01","1374.6","0.3","297","","","","","","","","","","","3","P 1","P 1","1","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C68 H68 O8 -","2","2","QB0116","Hamazaki, Hiroshi; Hosomi, Hiroyuki; Ohba, Shigeru","A triclinic polymorph of (<i>R</i>,<i>R</i>)-(‒)-<i>trans</i>-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1999","55","11","IUC9900132","","10.1107/S0108270199098443","","","0.71073","MoKα","","","0.035","","","","0.083","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009343","7.869","0.002","10.113","0.003","10.771","0.005","76.21","0.03","85.78","0.03","84.6","0.03","827.6","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3α-Hydroxy-5α-androstane-4,17-dione","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","2","SK1300","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α-Hydroxy-5α-androstane-4,17-dione","Acta Crystallographica Section C","1999","55","12","2149","2151","10.1107/S0108270199011877","","","0.71073","MoKα","","0.096","0.039","","","","0.113","","","","","","1.005","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009353","8.5705","0.0017","13.657","0.003","14.895","0.003","84.26","0.03","81.95","0.03","87.11","0.03","1716.4","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","Alprozolam dihydrate","8-chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate","","- C17 H17 Cl N4 O2 -","- C17 H14.75 Cl N4 O2 -","- C68 H59 Cl4 N16 O8 -","4","4","SX1085","Daniel R. Vega; Ricardo Baggio; Silvia Russi","8-Chloro-1-methyl-6-phenyl-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine dihydrate","Acta Crystallographica Section C","1999","55","12","2094","2096","10.1107/S0108270199010446","","","0.71073","MoKα","","0.074","0.043","","","","0.133","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009436","7.3983","0.0007","9.433","0.001","10.825","0.001","93.231","0.008","107.931","0.007","99.92","0.008","703.18","0.13","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C26 H48 Cl2 P2 Pd -","- C26 H48 Cl2 P2 Pd -","- C26 H48 Cl2 P2 Pd -","1","1","BR1038","Ganguly, S.; Mague, J.T.; Roundhill, D.M.","<i>cis</i>-Dichloro[1,2-bis(dicyclohexylphosphino)ethane]palladium(II)","Acta Crystallographica Section C","1994","50","2","217","219","10.1107/S0108270193007553","","","0.71073","MoKα","","","0.022","","","0.03","","","","","1.068","1.068","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2009439","9.6729","0.0003","10.5434","0.0003","7.3228","0.0002","99.85","0.003","109.361","0.002","98.229","0.003","677.96","0.04","294","","294","","","","","","","","","3","P 1","P 1","1","α- and β-Pipitzol (1:1)","α-Pipitzol: [3R-(3α,3aβ,7β,8aα)]-1,2,3,7,8,8a-hexahydro-5-hydroxy- 3,6,8,8-tetramethyl-4H-3a,7-methanoazulene-4,9-dione and β-Pipitzol: [3R-(3α,3aα,7α,8aβ)]-1,2,3,7,8,8a-hexahydro-5-hydroxy- 3,6,8,8-tetramethyl-4H-3a,7-methanoazulene-4,9-dione","","- C30 H40 O6 -","- C30 H40 O6 -","- C30 H40 O6 -","1","1","CD1061","Evans, Stephen V.; Yee, Vivien C.; Garcia-Garibay, Miguel; Trotter, James","Structure of a mixed crystal of α- and β-pipitzol (1:1), C~15~H~20~O~3~.C~15~H~20~O~3~","Acta Crystallographica Section C","1994","50","2","278","281","10.1107/S0108270193009060","","","1.5418","CuKα","","0.055","0.044","","0.054","0.054","","","","","2.3","2.3","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009571","6.228","0.001","6.819","0.001","7.494","0.001","95.42","0.02","99.48","0.01","108.99","0.01","293.07","0.08","122","","","","","","","","","","","4","P 1","P 1","1","","","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C9 H19 N O7 -","1","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.053","","","0.074","","","","","1.797","1.797","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009649","10.299","0.004","20.221","0.005","5.696","0.005","93.01","0.04","94.46","0.06","81.12","0.03","1167.5","1.2","288","","","","","","","","","","","3","P 1","P 1","1","","","","- C44 H48 O23 -","- C44 H48 O23 -","- C44 H48 O23 -","1","1","OH1047","Ohsawa, Y.; Ohba, S.; Kosemura, S.; Yamamura, S.; Nakagawa, A.; Yoshida, K.; Kondo, T.","Flavocommelin octaacetate","Acta Crystallographica Section C","1994","50","4","645","648","10.1107/S0108270193009631","","","1","Synchrotron","","","0.071","","","0.069","","","","","1.16","1.16","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2009683","6.452","0.001","6.559","0.001","6.286","0.001","61.6","0.01","118.72","0.01","105.86","0.01","204.9","0.06","297","","","","","","","","","","","5","P 1","P 1","1","","","","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","1","1","","Burns, P.C.; Hawthorne, F.C.","Refinement of the Structure of Hilgardite-1A","Acta Crystallographica Section C","1994","50","","653","655","","","","","","","","0.019","","","0.025","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009709","9.828","0.002","9.922","0.002","13.074","0.003","84.9","0.02","69.74","0.02","84.52","0.02","1188.4","0.5","293","","","","","","","","","","","7","P 1","P 1","1","","","","- C43 H56 Br Cl3 O6 P2 Rh2 -","- C43 H56 Br Cl3 O6 P2 Rh2 -","- C43 H56 Br Cl3 O6 P2 Rh2 -","1","1","HU1056","García-Granda, S.; Díaz, M. R.; Gómez-Beltrán, F.; Peris, E.; Lahuerta, P.","Tris(μ-acetato)-μ-[(2-bromophenyl)(<i>o</i>-phenylene)phenylphosphine-<i>C</i>:<i>P</i>]tricyclohexylphosphinedirhodium(II)","Acta Crystallographica Section C","1994","50","5","691","693","10.1107/S0108270193010935","","","0.71073","MoKα","","","0.035","","","0.037","","","","","2.0142","2.0142","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2009881","10.23","0.003","9.858","0.003","9.761","0.003","108.39","0.04","72.85","0.02","83","0.03","867.1","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","Geneserine hydrochloride","{(-)2-,3,4,4a,9,9a-hexahydro-2,4aα,9α-trimethyl-1,2-oxazino [6,5-b]indol-6-ol methylcarbamate} hydrochloride","","- C15 H23 Cl N3 O3.5 -","- C15 H23 Cl N3 O3.5 -","- C30 H46 Cl2 N6 O7 -","2","2","MU1071","Bacchi, Alessia; Pelizzi, Giancarlo; Redenti, Enrico; Delcanale, Maurizio; Amari, Gabriele; Ventura, Paolo","Geneserine hydrochloride","Acta Crystallographica Section C","1994","50","7","1126","1130","10.1107/S0108270193011576","","","1.54178","CuKα","","0.0722","0.0457","","0.1237","0.114","","","","0.914","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009900","6.241","0.006","7.319","0.007","10.505","0.015","84.65","0.03","94.83","0.02","100.8","0.03","468.2","0.9","293","","293","","","","","","","","","4","P 1","P 1","1","","(1R,2R,5(1')S,9R,2'R,4'R,5'S)-2,10,10- triméthyl-3-oxa-6-azatricyclo[7.1.1.0^2,7^]undeca-5-spiro[1'(2',4',5'- triméthylcyclohexane)]-6-ène-4-one","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C20 H31 N O2 -","1","1","PA1094","Chiaroni, A.; Riche, C.; Lavergne, J.-P.; Sadoune, M.; Viallefont, P.; Vidal, Y.","[1<i>R</i>,2<i>R</i>,5(1')<i>S</i>,9<i>R</i>,2'<i>R</i>,4'<i>R</i>,5'<i>S</i>]-2,10,10-Triméthyl-3-oxa-6-azatricyclo[7,1,1,0^2,7^]undeca-5-spiro[1'(2',4',5'-triméthylcyclohexane)]-6-ène-4-one","Acta Crystallographica Section C","1994","50","7","1122","1124","10.1107/S0108270193013903","","","1.5418","CuKα","","","0.043","","","0.049","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010070","9.038","0.004","9.488","0.004","10.443","0.006","92.07","0.03","109.45","0.03","120.31","0.04","705.7","0.7","293","","293","","","","","","","","","5","P 1","P 1","1","","1-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3- dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-3-methoxy-4-(E)-styrylazetidin-2-one","","- C27 H37 N O6 S2 -","- C29 H39 N O7 S2 -","- C29 H39 N O7 S2 -","1","1","PA1106","Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.","Three 1,3,4-trisubstituted β-lactam antibiotics","Acta Crystallographica Section C","1994","50","9","1474","1480","10.1107/S0108270194001587","","","1.5418","CuKα","","","0.055","","","0.075","","","","","0.9","0.9","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010285","7.17","0.004","8.057","0.002","14.953","0.014","84.87","0.04","89.04","0.06","69.85","0.04","807.6","0.9","200","","","","","","","","","","","4","P 1","P 1","1","","","","- C36 H40 N4 O6 -","- C36 H40 N4 O6 -","- C36 H40 N4 O6 -","1","1","HA1097","Barkigia, K.M.; Gottfried, D.S.","A new crystal form of methyl bacteriopheophorbide <i>a</i>","Acta Crystallographica Section C","1994","50","12","2069","2072","10.1107/S0108270194004786","","","1.5418","CuKα","","","0.076","","","0.092","","","","","1.85","1.85","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010543","5.1813","0.0011","9.2173","0.0018","10.6278","0.0017","87.878","0.014","74.948","0.016","86.653","0.017","489.18","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","L-argininium fluoride hydrogen fluoride","","- C6 H16 F2 N4 O2 -","- C6 H16 F2 N4 O2 -","- C12 H32 F4 N8 O4 -","2","2","LN1087","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Very short F—H···F hydrogen bond in <small>L</small>-argininium fluoride hydrogen fluoride","Acta Crystallographica Section C","2000","56","1","104","106","10.1107/S0108270199011981","","","0.71073","MoKα","","0.049","0.034","","","","0.094","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010627","7.854","0.001","9.384","0.001","13.23","0.002","101.563","0.002","103.699","0.002","90.184","0.002","926.8","0.2","300","","293","","","","","","","","","3","P 1","P 1","1","","","","- C21 H20 O8 -","- C21 H20 O8 -","- C42 H40 O16 -","2","2","JA1004","Du Boulay, Douglas; Shaari, Khozirah; Skelton, Brian W.; Waterman, Peter G.; White, Allan H.","2β-Hydroxy-4'-demethyldesoxypodophyllotoxin","Acta Crystallographica Section C","2000","56","2","199","200","10.1107/S010827019901358X","","","0.71073","MoKα","","0.09","0.04","","0.044","","0.044","","","1.07","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010686","5.393","0.001","9.13","0.002","11.963","0.002","92.67","0.03","95.02","0.03","100.45","0.03","575.9","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","tylophorine-B benzene solvate","2,3,6 trimethoxy phenanthro [9,10:6',7'] indolizedine","","- C29 H31 N O3 -","- C29 H31 N O3 -","- C29 H31 N O3 -","1","1","TA1256","Wang, Qiguang; Xie, Liang; Zhai, Jianjun","Tylophorine B benzene solvate","Acta Crystallographica Section C","2000","56","2","197","198","10.1107/S0108270199013499","","","0.71073","MoKα","","0.077","0.062","","","","0.193","","","","","","1.131","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010710","6.326","0.0003","31.465","0.002","7.668","0.0004","90.264","0.001","95.891","0.001","90.154","0.001","1518.21","0.14","173","2","","","","","","","","","","5","P 1","P 1","1","","4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone","","- C17 H17 Cl N2 O -","- C17 H16.25 Cl N2 O -","- C68 H65 Cl4 N8 O4 -","4","4","FR1211","Lewis, Michael; Barnes, Charles L.; Glaser, Rainer","4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone","Acta Crystallographica Section C","2000","56","3","393","396","10.1107/S0108270199011737","","","0.71073","MoKα","","","0.05","","","","0.13","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010852","5.8046","0.0003","10.64","0.0017","12.9556","0.0014","109.428","0.011","102.416","0.007","90.25","0.008","734.44","0.16","294","1","294","1","","","","","","","","4","P 1","P 1","1","N-3,5-dinitrobenzoyl-L-leucine","3,5-dinitro-N`-[(1R)-1,3-dimethylbutyl]benzamide","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C26 H30 N6 O14 -","2","2","QA0236","Gallagher, John F.; Kenny, Peter T. M.; O`Donohoe, Michael","Intermolecular hydrogen bonding of the two independent molecules of <i>N</i>-3,5-dinitrobenzoyl-<small>L</small>-leucine","Acta Crystallographica Section C","2000","56","4","e157","e158","10.1107/S0108270100003486","","","0.7107","MoKα","","0.111","0.045","","","","0.079","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010913","5.8767","0.0006","9.9036","0.0013","10.4818","0.0015","103.332","0.013","99.759","0.011","89.792","0.011","584.62","0.13","294","1","294","1","","","","","","","","4","P 1","P 1","1","","(2S)-3-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)butanoic acid","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","2","GD1085","Gallagher, John F.; Brady, Fiona","O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid","Acta Crystallographica Section C","2000","56","5","619","622","10.1107/S0108270100003553","","","0.7107","MoKα","","0.06","0.048","","","","0.112","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011007","8.592","0.01","8.845","0.01","11.192","0.01","109.64","0.05","90.56","0.05","103.92","0.05","773.7","1.5","100","5","100","5","","","","","","","","5","P 1","P 1","1","NAD+","β-Nicotinamide Adenine Dinucleotide","","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","1","1","GS1072","Guillot, Benoit; Jelsch, Christian; Lecomte, Claude","The oxidized form of nicotinamide adenine dinucleotide","Acta Crystallographica Section C","2000","56","6","726","728","10.1107/S0108270100001220","","","0.709","MoKα","","0.019","0.019","","","","0.052","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011290","8.319","0.001","13.197","0.002","5.75","0.002","100.84","0.02","98.61","0.02","89.43","0.01","612.9","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl b\-D-glucopyranoside","","- C27 H29 N O6 S -","- C27 H29 N O6 S -","- C27 H29 N O6 S -","1","1","VJ1104","Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya","Comparison of the two anomers of methyl 2-(<i>N</i>-benzylamino)-2,3-dideoxy-4,6-<i>O</i>-phenylmethylene-3-<i>C</i>-phenylsulfonyl-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2000","56","8","1030","1032","10.1107/S0108270100007344","","","1.5418","CuKα","","0.0696","0.0694","","0.2029","","0.2025","","","1.104","","","1.106","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011590","5.4017","0.0005","8.3903","0.0007","4.6325","0.0004","102.237","0.007","93.676","0.008","104.154","0.006","197.46","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Diaquabis[3,7-dihydro-1H-purine-2,6-dione]lithium(I)","","- C5 H7 Li N4 O4 -","- C5 H7 Li N4 O4 -","- C5 H7 Li N4 O4 -","1","1","BK1536","Okabe, Nobuo; Tsujita, Michihiro","<i>catena</i>-Poly[[diaqualithium(I)]-μ-[9<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dionato-<i>O</i>^2^:<i>N</i>^7^]]","Acta Crystallographica Section C","2000","56","12","1418","1419","10.1107/S0108270100011999","","","0.71073","MoKα","","0.055","0.032","","","","0.096","","","","","","0.868","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011758","10.328","0.002","11.605","0.002","14.796","0.003","70","0.03","86.37","0.03","76.19","0.03","1617.9","0.7","105","2","105","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H36 N6 O8 -","- C33 H36 N6 O8 -","- C66 H72 N12 O16 -","2","2","GD1118","Ejsmont, Krzysztof; Makowski, Maciej; Zaleski, Jacek","<i>N</i>-(<i>tert</i>-Butoxycarbonylglycyl-α,β-dehydrophenylalanylglycylphenylalanyl)-4-nitroaniline","Acta Crystallographica Section C","2001","57","2","205","207","10.1107/S0108270100017753","","","0.71073","MoKα","","0.0375","0.0319","","","","0.1053","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011779","5.0038","0.0015","6.442","0.002","8.3179","0.0011","78.6","0.02","80.62","0.02","79.8","0.02","256.39","0.12","293","2","293","2","","","","","","","","4","P 1","P 1","1","sarcosinium tartrate","sarcosinium tartrate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C7 H13 N O8 -","1","1","VJ1116","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Sarcosinium tartrate","Acta Crystallographica Section C","2001","57","2","165","166","10.1107/S0108270100012440","","","0.71073","Mokα","","0.025","0.025","","","","0.066","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011961","7.995","0.002","9.261","0.002","18.062","0.002","98.29","0.01","94.47","0.01","101.21","0.01","1290.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C10 H13.5 N4 O3.75 S -","- C10 H13.5 N4 O3.75 S -","- C40 H54 N16 O15 S4 -","4","4","DE1134","Mazumder, G.; De, M.; Mazumder, S. K.; Mukhopadhyay, A.; Das, A. K.; Van Aerschot, A.","9(<i>R</i>)-[6(<i>R</i>)-Hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl]hypoxanthine‒water (4/3), a nucleoside analogue","Acta Crystallographica Section C","2001","57","5","560","561","10.1107/S0108270100010799","","","0.71069","MoKα","","0.0725","0.0715","","0.1545","0.1535","","","","0.958","1.135","1.135","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012076","4.86","0.006","7.603","0.01","13.242","0.002","85.47","0.01","84.06","0.02","75.19","0.01","469.8","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","lactosyl acetamide","β-1-N-Acetamido-(4-O-β-D-galactopyranosyl)-D-glucopyranose dihydrate","","- C14 H29 N O13 -","- C14 H29 N O13 -","- C14 H29 N O13 -","1","1","DE1160","Lakshmanan, Thiruneelakantan; Sriram, Desikan; Loganathan, Duraikannu","β-1-Acetamido-4-<i>O</i>-β-<small>D</small>-galactopyranosyl-<small>D</small>-glucopyranose dihydrate","Acta Crystallographica Section C","2001","57","7","825","826","10.1107/S0108270101004796","","","0.71073","MoKα","","0.0282","0.0269","","","","0.0719","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012091","7.265","0.001","8.361","0.001","8.885","0.001","74.95","0.01","86.04","0.01","77.87","0.01","509.49","0.11","130","2","","","","","","","","","","7","P 1","P 1","1","","","","- C5 H11 Cl2 N O2 Pt S -","- C5 H11 Cl2 N O2 Pt S -","- C10 H22 Cl4 N2 O4 Pt2 S2 -","2","2","GG1053","Llorca, Jordi; Molins, Elies; Espinosa, Enrique; Mata, Ignasi; Miravitlles, Carles; Cervantes, Gemma; Caubet, Amparo; Moreno, Virtudes","Dichloro(<small>D</small>-methionine-<i>N</i>,<i>S</i>)platinum(II) at 130K","Acta Crystallographica Section C","2001","57","7","804","806","10.1107/S0108270101006874","","","0.71069","MoKα","","","0.038","","","","0.097","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012167","7.803","0.001","15.353","0.002","6.985","0.001","112.3","0.01","74.44","0.01","111.84","0.01","710.73","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0725","0.0489","","","","0.158","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012168","7.773","0.001","15.315","0.002","6.8347","0.0009","113.249","0.008","73.569","0.009","111.796","0.009","685.2","0.16","10","0.5","10","0.5","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0309","0.0304","","","","0.0853","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012756","10.2643","0.0003","13.4878","0.0004","21.1227","0.0008","86.2858","0.001","77.9955","0.0013","73.932","0.003","2748.51","0.16","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C120 H140 N4 O32 Zn -","- C120 H140 N4 O32 Zn -","- C120 H140 N4 O32 Zn -","1","1","GD1198","Yael Diskin-Posner; Goutam Kumar Patra; Israel Goldberg","Hydrogen-bonded supramolecular lattice of the 1:3:4 complex between [5,10,15,20-<i>meso</i>-tetrakis(4-hydroxyphenyl)porphyrinato-κ^4^<i>N</i>]zinc(II), dibenzo-24-crown-8 and methanol","Acta Crystallographica Section C","2002","58","6","m344","m346","10.1107/S010827010200776X","","","0.7107","MoKα","","0.0878","0.0698","","","0.1547","0.1673","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012868","5.207","0.002","5.876","0.003","15.339","0.007","82.21","0.01","81.43","0.01","72.17","0.01","439.8","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","Methyl (R)-5-{2-[1-(tert-butoxycarbonylamino)ethyl]-thiazol-4-yl}-penta- (E,E)-2,4-dienoate","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","1","1","FR1371","Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.","Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones","Acta Crystallographica Section C","2002","58","8","o447","o449","10.1107/S0108270102007503","","","0.7107","MoKα","","0.037","0.035","","","0.098","0.1","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012896","11.366","0.0002","14.4438","0.0002","17.6675","0.0002","78.148","0.001","87.016","0.001","75.485","0.001","2748.01","0.07","120","2","293","2","","","","","","","","8","P 1","P 1","1","","(5,10,15,20-Tetraphenylporphyrinato-κ^4^N)bis(L-valine-κN methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate","","- C58 H56 Cl2 F3 Fe N6 O7 S -","- C58 H56 Cl2 F3 Fe N6 O7 S -","- C116 H112 Cl4 F6 Fe2 N12 O14 S2 -","2","2","SK1557","Kobeissi, Marwan; Toupet, Loic; Simonneaux, Gerard","(5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)bis(<small>L</small>-valine-κ<i>N</i> methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate","Acta Crystallographica Section C","2002","58","8","m443","m444","10.1107/S0108270102011605","","","0.71069","MoKα","","0.09","0.049","","","0.113","0.133","","","","","","0.993","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2012974","6.0193","0.0011","8.2285","0.001","12.5811","0.0011","82.545","0.009","86","0.014","89.752","0.013","616.36","0.15","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(R)-mandelic acid (S)-alanine hemihydrate","","- C11 H16 N O5.5 -","- C11 H16 N O5.5 -","- C22 H32 N2 O11 -","2","2","FR1385","Hu, Zi-Qiang; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","(<i>R</i>)-Mandelic acid (<i>S</i>)-alanine hemihydrate","Acta Crystallographica Section C","2002","58","10","o612","o614","10.1107/S0108270102015688","","","0.71073","MoKα","","0.041","0.03","","","0.079","0.084","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013051","6.9588","0.0004","7.1984","0.0004","17.4239","0.0011","101.181","0.002","98.559","0.002","95.36","0.004","839.95","0.09","120","1","120","1","","","","","","","","4","P 1","P 1","1","","2-Amino-4,6-dimethoxy-5-nitrosopyrimidine‒water (4/3)","","- C24 H38 N16 O15 -","- C24 H38 N16 O15 -","- C24 H38 N16 O15 -","1","1","SK1591","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Melguizo, Manuel; Quesada, Antonio","2-Amino-4,6-dimethoxy-5-nitrosopyrimidine‒water (4/3): seven independent molecular components are linked into a three-dimensional framework by six three-centre and eight two-centre hydrogen bonds","Acta Crystallographica Section C","2002","58","11","o655","o657","10.1107/S0108270102017444","","","0.71073","MoKα","","0.0996","0.0533","","","0.1149","0.1395","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013096","8.2962","0.0001","9.4622","0.0001","9.9471","0.0003","61.6508","0.0006","69.969","0.0006","71.4651","0.0011","634.15","0.02","160","1","160","1","","","","","","","","4","P 1","P 1","1","2,3,3',6-tetra-O-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose","3-O-acetyl-1,6-dichloro-1,4,6-trideoxy-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-galactopyranoside","","- C20 H27 Cl3 O11 -","- C20 H27 Cl3 O11 -","- C20 H27 Cl3 O11 -","1","1","SK1597","Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan","2,3,3',6-Tetra-<i>O</i>-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose","Acta Crystallographica Section C","2002","58","12","o718","o720","10.1107/S0108270102020000","","","0.71073","MoKα","","0.044","0.035","","","0.085","0.089","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013162","7.4715","0.0006","7.7082","0.0007","9.1435","0.0006","97.429","0.006","112.808","0.005","110.666","0.006","432.02","0.07","296","1","296","1","","","","","","","","5","P 1","P 1","1","dibromo[(-)-sparteine-κ^2^N,N']zinc(II)","dibromo[(6R,7S,8S,14S)-1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a;1',2'-e][1,5]diazocine-κ^2^N,N']zinc(II)","","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","1","1","GD1241","Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael","The triclinic polymorph of dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section C","2003","59","3","m79","m81","10.1107/S0108270103001483","","","0.71073","MoKα","","0.0504","0.0395","","","0.0908","0.0969","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013225","10.4353","0.0005","10.4491","0.0005","14.876","0.0007","92.412","0.001","101.471","0.001","109.599","0.001","1487.14","0.12","213","2","213","2","","","","","","","","3","P 1","P 1","1","","3β-o-(L-thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide methanol solvate monohydrate","","- C61 H98 O18 -","- C61 H98 O18 -","- C61 H98 O18 -","1","1","TA1401","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma","Bis[14β-hydroxy-3β-<i>O</i>-(<small>L</small>-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-<i>O</i>-(<small>L</small>-2'-<i>o</i>-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide","Acta Crystallographica Section C","2003","59","2","o68","o70","10.1107/S0108270102023065","","","0.71073","MoKα","","0.0874","0.0657","","","0.1683","0.1823","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013366","8.8183","0.0003","9.6999","0.0004","10.4089","0.0005","86.787","0.002","86.377","0.002","78.798","0.003","870.76","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","(R)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1H,3H)-dionate (R)-1-phenylethylamine hemisolvate","","- C32 H41 N11 O8 -","- C32 H41 N11 O8 -","- C32 H41 N11 O8 -","1","1","SK1630","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","(<i>R</i>)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate (<i>R</i>)-1-phenylethylamine hemisolvate: hydrogen-bonded sheets of ions with pendent solvent molecules","Acta Crystallographica Section C","2003","59","5","o240","o243","10.1107/S0108270103006383","","","0.71073","MoKα","","0.0482","0.0444","","","0.1118","0.1153","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013369","8.6559","0.0009","9.3275","0.0009","10.1044","0.0012","113.379","0.005","108.908","0.004","100.345","0.004","662.32","0.13","150","1","150","1","","","","","","","","4","P 1","P 1","1","","meso-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (S)-malate(2-) methanol disolvate","","- C22 H50 N4 O7 -","- C22 H50 N4 O7 -","- C22 H50 N4 O7 -","1","1","SK1635","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (<i>S</i>)-malate(2‒) methanol disolvate: a chain of rings generated by two pairs of N—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","6","o329","o331","10.1107/S010827010300920X","","","0.71073","MoKα","","0.1174","0.064","","","0.168","0.2015","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013520","19.01","0.09","7.694","0.016","8.72","0.02","90.04","0.003","90.003","0.005","89.994","0.005","1275","7","105","2","105","2","","","","","","","","6","P 1","P 1","1","baryum nitroprusside trihydrate","","","- C5 H6 Ba Fe N6 O4 -","- C5 H6 Ba Fe N6 O4 -","- C20 H24 Ba4 Fe4 N24 O16 -","4","4","SQ1015","G. Chevrier; J.M. Kiat; J. Guida; A. Navaza","An ordered low-temperature phase of barium nitroprusside trihydrate studied by neutron diffraction","Acta Crystallographica Section C","2003","59","7","i59","i62","10.1107/S0108270103010199","","neutron","1.548","neutron","","0.0843","0.0782","","","0.087","0.0874","","","","","","3.748","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013645","6.71","0.003","6.767","0.004","8.059","0.005","71.51","0.04","84.68","0.05","70.16","0.03","326.4","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Dicyano{[(1S)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^N,O}boron","","- C13 H14 B N3 O -","- C13 H14 B N3 O -","- C13 H14 B N3 O -","1","1","JZ1576","Yongkwan Dong; Hoseop Yun; Chan Sun Park; Won Koo Lee; Hyun-Joon Ha","Dicyano{[(1<i>S</i>)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^<i>N</i>,<i>O</i>}boron","Acta Crystallographica Section C","2003","59","12","o659","o660","10.1107/S0108270103022698","","","0.71073","MoKα","","0.0339","0.0326","","","0.0888","0.0902","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013724","10.16","0.005","10.785","0.005","11.942","0.005","66.369","0.005","75.928","0.005","72.005","0.005","1129.4","0.9","293","","293","2","","","","","","","","4","P 1","P 1","1","","Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo- 2,3-dihydro-1H-pyrrole-2-acetate","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C48 H50 N2 O14 -","2","2","TY1001","Akkurt, Mehmet; Öztürk, Sema; Üngören, Hakan; Saçmacı, Mustafa; Fun, Hoong-Kun; Akçamur, Yunus","Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1<i>H</i>-pyrrole-2-acetate","Acta Crystallographica Section C","2003","59","10","o598","o600","10.1107/S0108270103018584","","","0.71073","MoKα","","0.093","0.066","","","0.116","0.127","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013885","37.91","0.07","7.694","0.007","8.705","0.009","90.03","0.01","90.086","0.007","90.146","0.002","2539","6","20","2","20","2","","","","","","","","6","P 1","P 1","1","barium nitroprusside trihydrate","barium pentacyanonitrosylferrate trihydrate","","- C5 H6 Ba Fe N6 O4 -","- C5 H6 Ba Fe N6 O4 -","- C40 H48 Ba8 Fe8 N48 O32 -","8","8","SQ1146","Chevrier, G.; Kiat, J. M.; Güida, J. A.; Navaza, A.","A new crystal phase of barium nitroprusside trihydrate studied by neutron diffraction at 20K","Acta Crystallographica Section C","2004","60","3","i27","i29","10.1107/S0108270104000599","","neutron","1.548","neutron","","0.0797","0.0681","","0.0732","","0.0722","","","3.236","","","3.441","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013889","5.076","0.0002","10.076","0.0004","10.121","0.0005","95.691","0.001","102.529","0.001","103.73","0.002","484.65","0.04","293","2","","","","","","","","","","4","P 1","P 1","1","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.043","","","","0.1178","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013893","8.3022","0.0014","10.0591","0.0017","12.393","0.002","66.73","0.002","72.047","0.002","68.828","0.002","869.9","0.3","183","2","183","2","","","","","","","","6","P 1","P 1","1","","Chloro(L-glutamato-κ^2^N,O)(1,10-phenanthroline-κ^2^N,N')copper(II) monohydrate","","- C17 H18 Cl Cu N3 O5 -","- C17 H18 Cl Cu N3 O5 -","- C34 H36 Cl2 Cu2 N6 O10 -","2","2","SX1128","Lu, Li-Ping; Zhu, Miao-Li; Yang, Pin","Chloro(<small>L</small>-glutamato-κ^2^<i>N</i>,<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","Acta Crystallographica Section C","2004","60","1","m21","m23","10.1107/S0108270103026453","","","0.71073","MoKα","","0.048","0.046","","","0.119","0.121","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013939","9.4773","0.0016","10.8506","0.0019","15.437","0.003","100.075","0.002","104.7","0.002","105.896","0.002","1424.9","0.4","190","2","190","2","","","","","","","","5","P 1","P 1","1","","(1R,2R)-(-)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}- 2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino) cyclohexane]tetralithium(I)","","- C42 H92 Li4 N14 Si4 -","- C42 H92 Li4 N16 Si4 -","- C42 H92 Li4 N16 Si4 -","1","1","DE1235","Hu, Jing-Hua; Tong, Hong-Bo; Li, Jian-Feng; Huang, Shu-Ping; Liu, Dian-Sheng","(1<i>R</i>,2<i>R</i>)-(‒)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}-2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino)cyclohexane]tetralithium(I)","Acta Crystallographica Section C","2004","60","6","m272","m274","10.1107/S0108270104008509","","","0.71073","MoKα","","0.0743","0.0657","","","0.1465","0.1561","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014064","6.8086","0.0001","10.5682","0.0003","32.5223","0.0007","80.7761","0.0009","87.7492","0.0013","74.1122","0.0011","2221.61","0.09","160","2","160","2","","","","","","","","5","P 1","P 1","1","","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","","- C25.5 H32 F N3 O1.5 -","- C25.5 H32 F N3 O1.5 -","- C102 H128 F4 N12 O6 -","4","4","SK1714","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","Acta Crystallographica Section C","2004","60","6","o405","o407","10.1107/S0108270104008455","","","0.71073","MoKα","","0.0623","0.0417","","","0.0825","0.0927","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014263","6.0335","0.0001","9.4122","0.0002","18.7857","0.0004","81.175","0.001","89.271","0.001","80.703","0.002","1040.26","0.04","243","2","243","2","","","","","","","","3","P 1","P 1","1","","1-(11'-Phenylundecanoyl)-3-hydroxycyclohexane-2,6-dione","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","2","SX1132","Castro, Ernesto; Cuca Suarez, Luis E.; Siengalewicz, Peter; Gutmann, Rene; Czermak, Georg; Brueggeller, Peter","3,6-Dihydroxy-2-(11-phenylundecanoyl)cyclohex-2-en-1-one from <i>Virola venosa</i> bark","Acta Crystallographica Section C","2004","60","7","o467","o469","10.1107/S0108270104010650","","","0.71073","MoKα","","0.0468","0.0387","","","0.1012","0.107","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014633","6.2384","0.0005","9.8255","0.0007","12.5432","0.0009","69.344","0.001","78.054","0.001","79.396","0.001","698.64","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Leu-Phe*","3-benzylidene-6-isobutylpiperazine-2,5-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","2","BM1602","Bagaria, A.; Ramakumar, S.; Gupta, M.; Chauhan, V. S.","Cyclo(<small>L</small>-leucyl-α,β-dehydrophenylalanine): the first diketopiperazine containing an α,β-dehydrophenylalanine residue","Acta Crystallographica Section C","2005","61","3","o174","o176","10.1107/S0108270105001629","","","0.71073","MoKα","","0.049","0.045","","","0.11","0.1127","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014757","9.308","0.003","9.578","0.003","16.13","0.004","77.21","0.03","87.36","0.03","81.57","0.03","1387.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","brucinium L-glycerate 4.75 hydrate","brucinium L-glycerate 4.75 hydrate","","- C26 H41.5 N2 O12.75 -","- C26 H41.5 N2 O12.75 -","- C52 H83 N4 O25.5 -","2","2","SX1156","Białońska, Agata; Ciunik, Zbigniew; Popek, Tomasz; Lis, Tadeusz","Cyclic water pentamers in triclinic crystals of brucinium <small>L</small>-glycerate","Acta Crystallographica Section C","2005","61","2","o88","o91","10.1107/S0108270104031853","","","0.71073","MoKα","","0.0432","0.0369","","","0.0781","0.081","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015083","5.7767","0.0005","6.0835","0.0005","23.88","0.002","83.151","0.001","86.482","0.001","61.612","0.001","733.01","0.11","173","2","173","2","","","","","","","","4","P 1","P 1","1","S-ibuprofen sodium dihydrate","sodium S-α-Methyl-4-(isobutyl)phenylacetate dihydrate","","- C13 H21 Na O4 -","- C13 H21 Na O4 -","- C26 H42 Na2 O8 -","2","2","SQ1215","Zhang, Yue-Gang; Grant, David J. W.","Similarity in structures of racemic and enantiomeric ibuprofen sodium dihydrates","Acta Crystallographica Section C","2005","61","9","m435","m438","10.1107/S0108270105024807","","","0.71073","MoKα","","0.0454","0.0402","","","0.1084","0.1131","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015151","9.3587","0.0012","10.3445","0.0013","16.925","0.002","92.079","0.002","95.775","0.002","95.245","0.002","1621.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","(I)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-phenylalanine","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","4","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.067","0.0641","","","0.1478","0.1497","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015152","4.863","0.001","10.771","0.002","12.228","0.002","80.45","0.03","89.23","0.03","88.61","0.03","631.4","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","(II)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-serine monohydrate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0492","0.0479","","","0.1131","0.1139","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015153","6.9334","0.0009","8.2977","0.001","13.2491","0.0016","90.78","0.002","93.498","0.002","107.293","0.002","726.02","0.16","100","2","100","2","","","","","","","","4","P 1","P 1","1","(III)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-lysine","","- C13 H21 N5 O4 -","- C13 H21 N5 O4 -","- C26 H42 N10 O8 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0426","0.0381","","","0.0969","0.0998","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015221","9.2355","0.0008","9.6894","0.0008","17.1446","0.0015","75.775","0.002","80.917","0.002","81.553","0.002","1459.1","0.2","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium dihydrogen citrate trihydrate","2,3-dimethoxy-10-oxostrychnidinium dihydrogencitrate trihydrate","","- C29 H40 N2 O14 -","- C29 H40 N2 O14 -","- C58 H80 N4 O28 -","2","2","TA1515","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in brucinium dihydrogen citrate trihydrate at 130 K","Acta Crystallographica Section C","2005","61","11","o621","o624","10.1107/S0108270105028222","","","0.71073","MoKα","","0.0481","0.0403","","","0.0729","0.0754","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015336","6.2705","0.0001","9.7577","0.0002","13.2491","0.0003","106.648","0.0013","94.2733","0.001","105.726","0.0012","737.36","0.03","160","1","160","1","","","","","","","","4","P 1","P 1","1","Z-Val-Aib-Hyp(OBn)-OMe","methyl (4R)-N-(benzyloxycarbonyl)valyl-2-methylalanyl-4-(benzyloxy)prolinate","","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","1","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0415","0.0358","","","0.0809","0.0852","","","","","","1.07","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015372","9.2915","0.001","9.4337","0.0009","16.9287","0.0017","76.401","0.002","88.716","0.002","82.104","0.002","1428.5","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium hydrogen L-malate pentahydrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen (S)-malate pentahydrate","","- C27 H42 N2 O14 -","- C27 H42 N2 O14 -","- C54 H84 N4 O28 -","2","2","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0414","0.0357","","","0.0698","0.0724","","","","","","0.898","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015565","5.8816","0.0003","10.6294","0.0006","19.707","0.001","75.24","0.001","82.56","0.001","81.78","0.001","1173.56","0.11","200","2","200","2","","","","","","","","4","P 1","P 1","1","aog","benzyl N-{2-[N-(tert-butoxycarbonyl)alanyl]-4-hydroxyprolyl}glycinate","","- C22 H31 N3 O7 -","- C22 H31 N3 O7 -","- C44 H62 N6 O14 -","2","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0384","0.0379","","","0.0989","0.0996","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015703","4.973","0.0012","10.446","0.003","11.655","0.004","100.95","0.005","98.903","0.006","106.388","0.005","556.2","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","quinaldic acid-L-(+)-tartaric acid (2/1)","bis(quinolinium-2-carboxylate) (2R,3R)-tartaric acid","","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","1","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0422","0.0415","","","0.1046","0.1051","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015731","8.3908","0.0007","9.0698","0.0008","9.7303","0.001","64.734","0.005","71.721","0.01","88.198","0.011","631.33","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","2'-Deoxy-5-propynylcytidine","4-amino-1-(2-deoxy-β-D-erythropentofuranosyl)-5-(prop-1- ynyl)pyrimidine-2(1H)-one","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C24 H30 N6 O8 -","2","2","FA3048","Seela, Frank; Budow, Simone; Eickmeier, Henning; Reuter, Hans","2'-Deoxy-5-propynylcytidine: a nucleoside forming two solid-state conformations","Acta Crystallographica Section C","2007","63","1","o54","o57","10.1107/S0108270106050736","","","0.71073","MoKα","","0.0431","0.0394","","","0.1085","0.1116","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015749","4.81","0.0008","10.776","0.0018","10.8756","0.0018","69.325","0.003","85.792","0.003","81.946","0.003","522.03","0.15","300","","300","","","","","","","","","4","P 1","P 1","1","Bis(glycyl-L-aspartic acid) oxalate 0.4-hydrate","bis[2-(2-ammonioacetamido)butanedioic acid] oxalate 0.4-hydrate","","- C14 H22.8 N4 O14.4 -","- C14 H22 N4 O14 -","- C14 H22 N4 O14 -","1","1","HJ3023","R. Chitra; Vijay Thiruvenkatam; R. R. Choudhury; M. V. Hosur; T. N. Guru Row","Conformation and structure of bis(glycyl-<small>L</small>-aspartic acid) oxalate 0.4-hydrate","Acta Crystallographica Section C","2007","63","1","o11","o13","10.1107/S0108270106048566","","","0.71073","MoKα","","0.072","0.0592","","","0.1277","0.1334","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015958","5.3262","0.0002","6.2885","0.0002","8.1008","0.0003","97.733","0.002","105.055","0.0017","110.436","0.0018","237.795","0.015","120","2","120","2","","","","","","","","4","P 1","P 1","1","","diaqua(4-oxo-4H-pyran-2,6-dicarboxylato)cadmium monohydrate","","- C7 H8 Cd O9 -","- C7 H8 Cd O9 -","- C7 H8 Cd O9 -","1","1","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0179","0.0179","","","0.0419","0.0419","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016059","7.6005","0.0003","15.6609","0.001","18.6149","0.0012","77.718","0.003","89.63","0.004","78.805","0.004","2122.4","0.2","110","2","110","2","","","","","","","","4","P 1","P 1","1","","20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒4-acetylpyridine‒tetrahydrofuran (1/2/10)","","- C100 H123 N7 O18 -","- C60 H43 N7 O8 -","- C60 H43 N7 O8 -","1","1","LN3055","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates","Acta Crystallographica Section C","2007","63","7","o395","o399","10.1107/S0108270107024936","","","0.71073","MoKα","","0.0813","0.0521","","","0.127","0.1352","","","","","","0.798","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016158","5.2767","0.0008","5.5375","0.0005","10.2809","0.0013","104.598","0.01","90.393","0.012","104.834","0.01","280.2","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","1-deoxy-1-morpholino-D-fructopyranose","","- C10 H19 N O6 -","- C10 H19 N O6 -","- C10 H19 N O6 -","1","1","GG3112","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets of <i>R</i>~2~^2^(10) and <i>R</i>~4~^4^(24) rings in 1-deoxy-1-morpholino-<small>D</small>-fructopyranose","Acta Crystallographica Section C","2007","63","9","o507","o509","10.1107/S0108270107034312","","","0.71073","MoKα","","0.0373","0.0305","","","0.0699","0.0749","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016161","11.5241","0.0016","11.6958","0.0016","12.453","0.002","80.499","0.003","62.449","0.002","75.937","0.002","1440.8","0.4","298","2","298","2","","","","","","","","4","P 1","P 1","1","","2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2- oxobicyclo[2.2.1]heptan-1-ylmethyl]sulfonyl}-myo-inositol 1,3,5-orthoacetate","","- C32 H34 O11 S -","- C32 H34 O11 S -","- C64 H68 O22 S2 -","2","2","HJ3047","K. Manoj; R. G. Gonnade; M. M. Bhadbhade; M. S. Shashidhar","Different interaction motifs of dipolar S=O···C=O contacts that associate diastereomers of 2,4(6)-di-<i>O</i>-benzoyl-6(4)-<i>O</i>-{[(1<i>S</i>)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-ylmethyl]sulfonyl}-<i>myo</i>-inositol 1,3,5-orthoacetate","Acta Crystallographica Section C","2007","63","9","o555","o558","10.1107/S0108270107035858","","","0.71073","MoKα","","0.0543","0.0523","","","0.1338","0.1362","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016162","5.2347","0.001","7.1855","0.0013","8.9972","0.0016","110.756","0.012","96.827","0.013","99.511","0.019","306.28","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","2'-deoxyimmunosine","5-amino-3-(2-deoxy-β-D-erythro-pentofuranosyl)thiazolo[4,5-d]pyrimidine- 2,7-(3H,6H)-dione","","- C10 H12 N4 O5 S -","- C10 H12 N4 O5 S -","- C10 H12 N4 O5 S -","1","1","JZ3073","Seela, Frank; Ming, Xin; Budow, Simone; Eickmeier, Henning; Reuter, Hans","2'-Deoxyimmunosine: a thiazolo[4,5-<i>d</i>]pyrimidine nucleoside adopting the <i>syn</i> conformation","Acta Crystallographica Section C","2007","63","9","o549","o551","10.1107/S010827010703750X","","","0.71073","MoKα","","0.0267","0.0266","","","0.0727","0.0728","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016467","4.6904","0.0007","5.9498","0.0007","11.4426","0.0016","98.361","0.002","93.317","0.002","96.823","0.001","312.78","0.07","174","2","174","2","","","","","","","","4","P 1","P 1","1","","4-(4-Chlorobenzylidenehydrazono)benzonitrile","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.046","0.045","","0.117","","0.116","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016468","4.6963","0.0012","6.0023","0.0015","11.585","0.003","99.493","0.01","93.767","0.01","96.629","0.009","318.74","0.14","174","2","174","2","","","","","","","","4","P 1","P 1","1","","4-(4-Bromobenzylidenehydrazono)benzonitrile","","- C15 H10 Br N3 -","- C15 H10 Br N3 -","- C15 H10 Br N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.025","0.025","","","0.064","0.064","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016469","4.7165","0.0003","6.1524","0.0004","11.9054","0.0008","101.271","0.002","94.588","0.002","96.038","0.003","335.13","0.04","173","2","173","2","","","","","","","","4","P 1","P 1","1","","4-(4-Iodobenzylidenehydrazono)benzonitrile","","- C15 H10 I N3 -","- C15 H10 I N3 -","- C15 H10 I N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.023","0.023","","","0.059","0.059","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016490","4.7547","0.0001","7.5121","0.0002","8.5626","0.0002","115.691","0.001","90.266","0.001","104.957","0.001","263.87","0.011","105","2","105","2","","","","","","","","4","P 1","P 1","1","","L-Seryl-L-asparagine monohydrate","","- C7 H15 N3 O6 -","- C7 H15 N3 O6 -","- C7 H15 N3 O6 -","1","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0254","0.0253","","","0.0668","0.0669","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016960","8.23","0.002","10.927","0.002","11.633","0.003","103.9","0.02","106.62","0.03","96.94","0.02","952.7","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","<i>N</i>-[(1<i>R</i>)-1-(1-naphthyl)ethyl]-3,4-dihydro-2<i>H</i>-1,2-benzothiazin-4-aminium 1,1-dioxide chloride","","- C20 H21 Cl N2 O2 S -","- C20 H21 Cl N2 O2 S -","- C40 H42 Cl2 N4 O4 S2 -","2","2","GD3257","Kiefer, Lionel; Dauban, Philippe; Dodd, Robert H.; Retailleau, Pascal","Two enantiomerically pure cyclic arenesulfonamide hydrochloride salts","Acta Crystallographica Section C","2009","65","2","o46","o50","10.1107/S010827010804287X","","","0.71073","MoKα","","0.0526","0.0393","","","0.0881","0.0954","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017146","5.2317","0.0012","5.4232","0.0012","14.459","0.003","85.936","0.003","85.343","0.003","70.424","0.002","384.83","0.15","296","2","296","2","","","","","","","","4","P 1","P 1","1","","L-Phenylalanine‒D-isoleucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","1","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0678","0.0455","","","0.0914","0.0991","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017252","4.9343","0.001","6.8918","0.0014","11.342","0.002","81.943","0.003","85.847","0.003","86.529","0.003","380.39","0.13","283","0.1","283","0.1","","","","","","","","4","P 1","P 1","1","Ia","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0444","0.0337","","","0.0789","0.0854","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017253","4.8848","0.0012","6.8723","0.0016","11.259","0.003","82.261","0.003","84.711","0.003","85.64","0.003","372.15","0.16","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","Ib","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0486","0.0409","","","0.1143","0.1215","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017254","4.8641","0.0012","5.738","0.0014","13.325","0.003","82.814","0.003","87.274","0.003","86.435","0.004","367.97","0.15","173","0.1","173","2","","","","","","","","4","P 1","P 1","1","II","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0739","0.0537","","","0.126","0.138","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017255","4.9215","0.0018","6.871","0.003","11.314","0.004","81.973","0.005","85.839","0.005","86.562","0.005","377.4","0.3","283","0.1","283","0.1","","","","","","","","4","P 1","P 1","1","Ic","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0797","0.0489","","","0.1141","0.1291","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017257","8.593","0.002","9.761","0.002","10.054","0.003","93.32","0.02","114.45","0.03","113.75","0.03","676.6","0.4","299","2","299","2","","","","","","","","4","P 1","P 1","1","","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C32 H30 N2 O4 -","2","2","SK3330","Bakowicz, Julia; Turowska-Tyrk, Ilona","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal","Acta Crystallographica Section C","2009","65","8","o377","o380","10.1107/S0108270109025451","","","0.71073","MoKα","","0.0735","0.0609","","","0.1567","0.1702","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017576","7.662","0.0015","10.488","0.002","11.606","0.002","98.24","0.03","91.07","0.03","98.49","0.03","912.1","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol][triaquadisodium(I)][μ-(1<i>S</i>)-<i>N</i>-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol]] tetrahydrate]","","- C12 H24 N4 Na O11.5 -","- C12 H23 N4 Na O11.5 -","- C24 H46 N8 Na2 O23 -","2","2","SK3359","Gainsford, Graeme J.; Furneaux, Richard H.; Tyler, Peter C.; Sauve, Anthony; Shramm, Vern L.","A synchrotron radiation study of the one-dimensional complex of sodium with (1<i>S</i>)-<i>N</i>-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-<small>D</small>-ribitol, a member of the 'immucillin' family","Acta Crystallographica Section C","2010","66","3","m65","m68","10.1107/S0108270110002738","","","0.98","synchrotron","","0.0356","0.0353","","","0.0914","0.0919","","","","","","1.072","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2017702","6.171","0.0003","7.4134","0.0003","18.2438","0.0006","91.754","0.003","91.308","0.003","108.135","0.004","792.33","0.06","200","2","200","2","","","","","","","","4","P 1","P 1","1","4-(phenyldiazenyl)anilinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate","4-(phenyldiazenyl)anilinium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C32 H34 N6 O12 -","2","2","FG3168","Smith, Graham; Wermuth, Urs D.; Young, David J.","Phenyl-ring rotational disorder in the two-dimensional hydrogen-bonded structure of the 1:1 proton-transfer salt of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2010","66","7","o345","o348","10.1107/S0108270110020597","","","0.71073","MoKα","","0.0597","0.0495","","","0.1136","0.1178","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018090","11.034","0.003","11.741","0.004","12.818","0.003","63.883","0.007","66.841","0.01","86.82","0.013","1356.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(+)] pentacarbonylchromate(2-) ethylenediamine monosolvate","","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","1","1","BI3018","Zhai, Jun; Xu, Li","The pentacoordinated [Cr(CO)~5~]^2{-^} dianion in [2,2,2-crypt-K]~2~[Cr(CO)~5~] ethylenediamine monosolvate","Acta Crystallographica Section C","2011","67","6","m202","m204","10.1107/S0108270111018233","","","0.71073","MoKα","","0.0838","0.0475","","","0.104","0.1202","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018561","9.0244","0.0002","9.7278","0.0002","9.7492","0.0002","92.9699","0.001","107.457","0.001","107.551","0.0009","768.85","0.03","180","2","180","2","","","","","","","","5","P 1","P 1","1","NS9544.1320","(1<i>S</i>,5<i>R</i>)-3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","2","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0292","0.0281","","","0.0727","0.0737","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018585","11.9699","0.0018","12.3754","0.0019","12.4793","0.0019","104.369","0.003","95.465","0.003","95.802","0.003","1767.6","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","Pd1a-Qu","(<i>SP</i>-4‒4)-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]- chlorido(quinoline-κ<i>N</i>)palladium(II) acetone hemisolvate","","- C18.5 H20 Cl N2 O0.5 Pd -","- C18.5 H20 Cl N2 O0.5 Pd -","- C74 H80 Cl4 N8 O2 Pd4 -","4","4","YF3015","Raven, William; Kalf, Irmgard; Englert, Ulli","Pseudosymmetry in a cyclopalladated compound","Acta Crystallographica Section C","2012","68","8","m223","m225","10.1107/S0108270112030776","","","0.71073","MoKα","","0.0706","0.0535","","","0.1062","0.1157","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018630","7.8754","0.0006","8.1504","0.0006","10.0893","0.0007","108.637","0.003","96.327","0.003","104.562","0.003","580.98","0.08","130","2","130","2","","","","","","","","4","P 1","P 1","1","5-Ethynyl-2'-deoxycytidine","4-Amino-1-(2-deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-5- ethynylpyrimidin-2(1<i>H</i>)-one","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","2","FG3269","Seela, Frank; Mei, Hui; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","5-Ethynyl-2'-deoxycytidine: a DNA building block with a `clickable' side chain","Acta Crystallographica Section C","2012","68","10","o395","o398","10.1107/S0108270112038267","","","0.71073","MoKα","","0.029","0.0287","","","0.0793","0.0799","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018686","7.286","0.0015","11.246","0.002","11.462","0.002","72.21","0.03","73.57","0.03","83.5","0.03","857.4","0.3","223.15","","223.15","","","","","","","","","6","P 1","P 1","1","","<i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']]","","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","1","1","WQ3017","Zhong, Kai-Long; Qian, Ming-Yi","A novel one-dimensional Co^II^ coordination polymer: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section C","2012","68","9","m265","m268","10.1107/S0108270112034385","","","0.71073","MoKα","","0.0462","0.0261","","","0.0557","0.0798","","","","","","1.239","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018728","6.006","0.0014","6.8782","0.0018","7.9717","0.0018","90.202","0.011","98.272","0.008","107.193","0.011","310.96","0.13","298","2","298","2","","","","","","","","4","P 1","P 1","1","","[(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)- 5-oxoimidazolidin-3-ium-1-yl]acetate","","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","1","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0346","0.0342","","","0.0926","0.0934","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018854","7.43","0.001","8.272","0.002","8.768","0.003","98.96","0.02","108.02","0.02","94.56","0.02","501.5","0.2","","","","","","","","","","","","6","P 1","P 1","1","","Inosinium tetrabromo-gold(iii) dihydrate","","- C10 H17 Au Br4 N4 O7 -","- C10 H17 Au Br4 N4 O7 -","- C10 H17 Au Br4 N4 O7 -","1","1","","Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; André L. Beauchamp","Structure of Inosinium Tetrabromoaurate(III) Dihydrate","Acta Crystallographica, Section C","1989","45","","1874","1877","10.1107/S0108270189003586","","","","","","","0.045","","","","","","","","","","","","","","has coordinates","206342","2020-10-21","18:00:00",""
"2018961","8.4528","0.0005","8.5689","0.0005","12.4424","0.0007","87.84","0.005","72.284","0.005","87.368","0.008","857.31","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","alogliptin","2-({6-[(3<i>R</i>)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile","","- C18 H21 N5 O2 -","- C18 H21 N5 O2 -","- C36 H42 N10 O4 -","2","2","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","0.71073","MoKα","","0.0512","0.0443","","","0.0988","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019251","8.098","0.0013","8.382","0.0014","15.291","0.002","75.492","0.001","87.242","0.002","86.712","0.003","1002.6","0.3","295","","295","","","","","","","","","5","P 1","P 1","1","","Poly[hexa-μ-aqua-diaquabis{μ~3~-2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetato}tetrasodium(I)]","","- C16 H20 Na2 O12 S -","- C16 H20 Na2 O12 S -","- C32 H40 Na4 O24 S2 -","2","2","OV3036","Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng","Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid","Acta Crystallographica Section C","2013","69","11","1322","1327","10.1107/S0108270113026450","","","0.71073","MoKα","","0.0627","0.0505","","","0.1193","0.1293","","","","","","1.039","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2019596","5.5888","0.0005","5.6045","0.0006","6.1697","0.0007","114.57","0.01","97.752","0.009","95.72","0.008","171.52","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","L-Aspartate chloride","<i>L</i>-Aspartic acid hydrochloride","","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","1","1","SK3547","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride","Acta Crystallographica Section C","2014","70","7","689","692","10.1107/S2053229614013163","","","0.71073","MoKα","","0.022","0.0216","","","0.0537","0.0543","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019717","6.6766","0.0004","7.1292","0.0004","16.0995","0.001","78.423","0.005","84.663","0.005","65.46","0.005","682.87","0.08","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","SK3569","Paz Robles, Cristian; Mercado, Darío; Suarez, Sebastián; Baggio, Ricardo","Two drimane lactones, valdiviolide and 11-epivaldiviolide, in the form of a 1:1 cocrystal obtained from <i>Drimys winteri</i> extracts","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402395X","","","0.71069","MoKα","","0.068","0.0486","","","0.1155","0.1299","","","","","","1.009","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2020076","9.1196","0.0005","9.5474","0.0005","11.992","0.0006","105.682","0.002","90.853","0.002","117.642","0.002","878.39","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","2,2''-Bis(hydroxydiphenylmethyl)-1,1':4',1''-terphenyl dimethylformamide monosolvate","","- C47 H41 N O3 -","- C47 H41 N O3 -","- C47 H41 N O3 -","1","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0721","0.0703","","","0.1988","0.2001","","","","","","1.067","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020110","5.6396","0.0004","16.3917","0.0011","16.9602","0.0012","69.427","0.004","89.995","0.005","87.286","0.005","1465.98","0.18","100","2","100","2","","","","","","","","4","P 1","P 1","1","(<i>S</i>)-Amphetamine hydrochloride","(2<i>S</i>)-1-Phenylpropan-2-aminium chloride","","- C9 H14 Cl N -","- C9 H14 Cl N -","- C54 H84 Cl6 N6 -","6","6","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71073","MoKα","","0.0638","0.0547","","","0.1252","0.1293","","","","","","1.031","","","","has coordinates,has Fobs","158193","2020-10-21","18:00:00",""
"2020298","7.2367","0.0006","8.4193","0.0006","11.7507","0.0008","73.617","0.005","85.522","0.006","69.492","0.005","643.17","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","9α,21-Dichloro-11β,17α-dihydroxy-16α-methyl-3,20-dioxodipregna-1,4-dien-17-yl furan-2-carboxylate monohydrate","","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","1","1","OV3071","Müller, Peter","Mometasone furoate revisited, or how did the hydrate get in the bottle?","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021476","","","1.54178","CuKα","","0.0473","0.0412","","","0.0979","0.1002","","","","","","1.032","","","","has coordinates,has Fobs","170373","2020-10-21","18:00:00",""
"2020528","9.489","0.0015","9.8774","0.0015","15.079","0.002","71.429","0.004","75.65","0.004","89.369","0.004","1294.4","0.3","103","2","103","2","","","","","","","","5","P 1","P 1","1","<i>L</i>-2-Aminobutyric acid‒<i>D</i>-methionine (1/1) <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 S4 -","- C9 H20 N2 O4 S -","- C36 H80 N8 O16 S4 -","4","4","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","","0.0954","0.0716","","","0.1661","0.1861","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","185020","2020-10-21","18:00:00",""
"2020737","8.3617","0.0008","8.7261","0.0008","8.859","0.0008","104.451","0.001","94.187","0.001","112.344","0.001","568.69","0.09","215","2","215","2","","","","","","","","4","P 1","P 1","1","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C30 H18 N4 S -","1","1","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0385","0.0367","","","0.0947","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","196536","2020-10-21","18:00:00",""
"2020807","10.1501","0.0011","14.8556","0.0015","17.662","0.002","109.248","0.008","97.929","0.009","91.214","0.008","2483.9","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(propionamido)propyl]benzamide dichloromethane hemisolvate","","- C25.5 H29 Cl N2 O3 -","- C25.5 H29 Cl N2 O3 -","- C102 H116 Cl4 N8 O12 -","4","4","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.1084","0.0789","","","0.1815","0.1952","","","","","","1.063","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020997","7.3991","0.0015","10.637","0.002","11.931","0.002","93.65","0.03","107.37","0.03","108.11","0.03","839","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","8-(4-Methylphenyl)-2'-deoxyadenosine hemihydrate","","- C17 H20 N5 O3.5 -","- C17 H20 N5 O3.5 -","- C34 H40 N10 O7 -","2","2","ZP2024","Ardhapure, Ajaykumar V.; Sanghvi, Yogesh S.; Borozdina, Yulia; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 8-(4-methylphenyl)-2'-deoxyadenosine hemihydrate","Acta Crystallographica Section E","2018","74","1","1","5","10.1107/S2056989017017212","","","0.71073","MoKα","","0.0673","0.0413","","","0.095","0.1098","","","","","","0.996","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021094","9.7608","0.0003","10.6134","0.0003","11.2721","0.0003","77.398","0.002","75.589","0.002","87.635","0.002","1103.64","0.06","120","0.1","120","","","","","","","","","6","P 1","P 1","1","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>S</i>)-(-)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.05","0.0472","","","0.1182","0.1205","","","","","","1.71","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021095","9.7524","0.0002","10.6117","0.0002","11.251","0.0002","77.3381","0.0015","75.6221","0.0016","87.7313","0.0016","1100.33","0.04","95","0.1","95","","","","","","","","","6","P 1","P 1","1","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>R</i>)-(+)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.0404","0.0394","","","0.097","0.098","","","","","","1.5","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021133","9.5552","0.0004","10.3175","0.0005","11.9645","0.0006","91.085","0.004","110.515","0.004","93.998","0.003","1100.85","0.09","99.97","0.11","99.97","0.11","","","","","","","","4","P 1","P 1","1","11-Azaartemisinin‒<i>trans</i>-cinnamic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2<i>E</i>)-3-Phenylprop-2-enoic acid (1/1)","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C48 H62 N2 O12 -","2","2","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0354","0.0315","","","0.0745","0.0769","","","","","","1.001","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021194","8.4954","0.0003","8.679","0.0003","10.7105","0.0004","100.366","0.003","100.314","0.003","90.093","0.003","763.79","0.05","100.2","0.8","100.2","0.8","","","","","","","","6","P 1","P 1","1","<i>N</i>-[Diethoxy(sulfanylidene)-λ^5^-phosphanyl]-2,4,6-trimethylaniline","<i>O</i>,<i>O</i>'-Diethyl <i>N</i>-(2,4,6-trimethylphenyl)thiophosphate","","- C13 H22 N O2 P S -","- C13 H22 N O2 P S -","- C26 H44 N2 O4 P2 S2 -","2","2","KY3141","Torabi Farkhani, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel V.; Shchegravina, Ekaterina S.","Evaluation of N—H···S and N—H···π interactions in <i>O</i>,<i>O</i>'-diethyl <i>N</i>-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studies","Acta Crystallographica Section C","2018","74","7","847","855","10.1107/S2053229618007933","","","0.71073","MoKα","","0.0373","0.0358","","","0.0879","0.0887","","","","","","1.08","","","","has coordinates,has Fobs","209380","2020-10-21","18:00:00",""
"2021283","7.5105","0.0004","7.5353","0.0004","13.8994","0.0007","79.612","0.004","75.806","0.004","61.115","0.005","665.96","0.07","100","1","100","1","","","","","","","","5","P 1","P 1","1","Cytisinium iodide triiodide","Bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) iodide triiodide","","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","1","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0402","0.0336","","","0.0607","0.0631","","","","","","0.983","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021341","10.2789","0.0005","10.8253","0.0004","15.02","0.0006","101.229","0.004","105.716","0.004","109.782","0.004","1436.22","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>,<i>N</i>'-(Cyclohexane-1,4-diyl)bis(<i>O</i>,<i>O</i>'-diphenylphosphoramide)","","- C30 H32 N2 O6 P2 -","- C30 H32 N2 O6 P2 -","- C60 H64 N4 O12 P4 -","2","2","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···O<i>X</i> (<i>X</i> is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=<i>Y</i>) (<i>Y</i> is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.032","0.0299","","","0.0757","0.0775","","","","","","1.014","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2021349","7.727","0.0015","8.9264","0.0017","10.491","0.002","97.989","0.007","96.215","0.007","106.294","0.007","679.5","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}","","- C34 H34 N4 -","- C34 H34 N4 -","- C34 H34 N4 -","1","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0495","0.0402","","","0.0922","0.096","","","","","","1.047","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021764","14.4354","0.0001","14.4617","0.0001","28.6558","0.0002","93.284","0.001","101.441","0.001","113.33","0.001","5322.26","0.08","103","2","103","2","","","","","","","synthesis","4","P 1","P 1","1","","[Leu^2^]Gramicidin S","","- C65.89 H107.18 N10 O12.7 -","- C65.89 H107.18 N10 O12.6997 -","- C197.67 H321.539 N30 O38.099 -","3","3","JX3048","Asano, Akiko; Matsuoka, Shiori; Minami, Chisato; Kato, Takuma; Doi, Mitsinobu","[Leu^2^]Gramicidin S preserves the structural properties of its parent peptide and forms helically aligned β-sheets","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011872","","","1.54184","CuKα","","0.0351","0.0345","","","0.0907","0.0913","","","","","","0.899","","","","has coordinates,has disorder,has Fobs","218065","2020-10-21","18:00:00",""
"2021971","6.1728","0.0003","12.3721","0.0006","13.6788","0.0007","84.302","0.002","80.846","0.002","80.909","0.002","1015.45","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","Sclareol methanol monosolvate","(3<i>S</i>)-4-[(<i>S</i>)-3-Hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyldecahydronaphthalen-3-ol methanol monosolvate","","- C21 H40 O3 -","- C21 H40 O3 -","- C42 H80 O6 -","2","2","HB7890","Bibi, Memoona; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid","Acta Crystallographica Section E Crystallographic Communications","2020","76","3","294","","10.1107/S2056989020001474","","","1.54178","CuKα","","0.0375","0.0373","","","0.11","0.1102","","","","","","1.014","","","","has coordinates,has Fobs","247943","2020-10-21","18:00:00",""
"2022027","5.4491","0.0003","7.3962","0.0004","8.1337","0.0004","79.382","0.004","73.191","0.005","69.544","0.005","292.75","0.03","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","1","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0175","0.0172","","","0.0407","0.0408","","","","","","1.0353","","","","has coordinates","250606","2020-10-21","18:00:00",""
"2022127","9.738","0.0009","9.9295","0.0011","10.803","0.001","75.924","0.009","79.438","0.008","86.77","0.008","995.97","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","4,4',4''-(4,4,8,8,12,12-Hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]\ quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoic acid methanol 1.25-solvate","","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","1","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","0.71073","MoKα","","0.0545","0.045","","","0.1067","0.1165","","","","","","1.046","","","","has coordinates,has Fobs","252311","2020-10-21","18:00:00",""
"2022591","9.449","0.0007","9.449","0.0007","6.908","0.001","90","","90","","120","","534.14","0.1","298","","298","","","","","","","","","3","P 1","P 1","1","","","","- Ca10.974 O27.64 P6.012 -","- Ca10.974 O27.64 P6.012 -","- Ca10.974 O27.64 P6.012 -","1","1","CU3180","Arnold, Emily L.; Keeble, Dean S.; Evans, J. P. O.; Greenwood, Charlene; Rogers, Keith D.","Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003400","powder diffraction","","0.161669","Synchrotron","","","","","","","","","","0.194291","","","","","","","has coordinates","274369","2022-04-06","02:04:15",""
"2022683","9.4726","0.0004","10.3","0.0005","15.3583","0.0007","73.378","0.002","88.382","0.002","86.4","0.002","1432.94","0.11","150","2","150","","","","","","","","","3","P 1","P 1","1","3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<i>D</i>-mannitol","(1<i>R</i>,2<i>R</i>)-1,2-Bis[(<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-yn-1-yloxy)ethane","","- C18 H26 O6 -","- C18 H26 O6 -","- C54 H78 O18 -","3","3","OC3016","Mohammed, Adnan I.; Bhadbhade, Mohan M.; Read, Roger W.","3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-mannitol: a study of multiple weak hydrogen bonds in the solid state","Acta Crystallographica Section C","2022","78","11","","","10.1107/S205322962200897X","","","0.71073","MoKα","","0.0264","0.0255","","","0.0643","0.065","","","","","","1.016","","","","has coordinates,has Fobs","278543","2022-10-12","02:03:47",""
"2100138","9.0822","0.0003","15.7819","0.0005","15.904","0.0005","108.746","0.0015","96.858","0.002","90.06","0.0018","2141.33","0.12","150","1","150","1","","","","","","","","4","P 1","P 1","1","","bis-(R)-1.Phenylethylammonium rac-tartrate(2-)","","- C41 H60 N4 O13 -","- C41 H60 N4 O13 -","- C82 H120 N8 O26 -","2","2","BM5020","Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Supramolecular structures of 1-phenylethylammonium tartrates","Acta Crystallographica Section B","2005","61","1","103","114","10.1107/S0108768104029684","","","0.71073","MoKα","","0.0879","0.0507","","","0.1137","0.132","","","","","","1.044","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100183","7.65217","0.00017","19.8637","0.0005","4.98773","0.00013","92.0279","0.001","106.261","0.0007","97.1529","0.0008","720.18","0.03","293","","293","","","","","","","","","3","P 1","P 1","1","stable alpha-lactose","4-O-beta-D-galactopyranosyl-D-glucopyranose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","2","LC5010","Platteau, Cyril; Lefebvre, Jacques; Affouard, Frederic; Willart, Jean-François; Derollez, Patrick; Mallet, Franck","Structure determination of the stable anhydrous phase of α-lactose from X-ray powder diffraction","Acta Crystallographica Section B","2005","61","2","185","191","10.1107/S0108768105000455","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100204","7.6258","0.0004","19.6559","0.001","5.0613","0.0003","95.646","0.002","105.43","0.002","80.996","0.002","721.01","0.07","295","","293","","","","","","","","","3","P 1","P 1","1","mixed alpha/beta lactose","4-O-beta-D-galactopyranosyl-D-glucopyranose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","2","LC5025","Lefebvre, Jacques; Willart, J.-F.; Caron, V.; Lefort, R.; Affouard, F.; Danède, F.","Structure determination of the 1/1 α/β mixed lactose by X-ray powder diffraction","Acta Crystallographica Section B","2005","61","4","455","463","10.1107/S0108768105017064","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100460","5.9642","0.0001","10.4125","0.0002","11.7403","0.0004","108.175","0.001","104.56","0.001","104.087","0.002","628.08","0.03","150","","293","2","","","","","","","","4","P 1","P 1","1","","(1R, 2S)-(-)-ephedrine acetate","","- C24 H38 N2 O6 -","- C24 H38 N2 O6 -","- C24 H38 N2 O6 -","1","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","","0.0736","0.0427","","","0.0902","0.102","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100477","5.9373","0.0002","7.0594","0.0002","18.3791","0.0008","80.254","0.001","88.527","0.002","66.247","0.002","694.14","0.04","150","","293","2","","","","","","","","4","P 1","P 1","1","","(1R, 2S)-(-)-ephedrine L-(+)-tartrate trihydrate","","- C24 H42 N2 O11 -","- C24 H42 N2 O11 -","- C24 H42 N2 O11 -","1","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","","0.1072","0.0979","","","0.2835","0.2946","","","","","","1.311","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100878","19.409","0.002","15.332","0.002","11.784","0.001","95.51","0.01","92.17","0.01","83.59","0.01","3467.3","0.7","","","","","","","","","","","","4","P 1","P 1","1","","","","- C33 H44 N4 O10 -","- C33 N4 O10 -","- C132 N16 O40 -","4","4","AS0605","Ebitani, M.; In, Y.; Ishida, T.; Sakaguchi, K.-i.; Flippen-Anderson, J. L.; Karle, I. L.","Structures of riboflavin tetraacetate and tetrabutyrate: molecular packing mode of riboflavin tetracarboxylate and its extensive stacking and hydrogen-bonding characteristics","Acta Crystallographica Section B","1993","49","1","136","144","10.1107/S0108768192007195","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2100898","10.622","0.004","4.622","0.001","7.575","0.003","89.35","0.03","110.84","0.03","102.13","0.03","339","0.2","","","","","","","","","","","","4","P 1","P 1","","","","","- H O4 Rb Se -","- H0.666667 O2 Rb0.666667 Se0.666667 -","- H2 O6 Rb2 Se2 -","3","3","SH0005","Makarova, I. P.","Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals","Acta Crystallographica Section B","1993","49","1","11","18","10.1107/S010876819200613X","","neutron","1.1674","Neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101063","11.723","0.002","15.658","0.003","11.118","0.002","98.71","0.02","90.17","0.04","98.52","0.03","1994.3","0.7","","","","","","","","","","","","5","P 1","P 1","1","","","","- C15 H27 Co N6 O4 -","- C15 Co N6 O4 -","- C60 Co4 N24 O16 -","4","4","AS0637","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.","Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime","Acta Crystallographica Section B","1993","49","6","1015","1020","10.1107/S0108768193007347","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101110","5.9701","0.0007","6.7357","0.0006","9.577","0.001","77.21","0.01","79.95","0.01","75.45","0.01","360.62","0.07","","","","","","","","","","","","4","P 1","P 1","1","","","","- C13 H18 N2 O7 -","- C13 H18 N2 O7 -","- C13 H18 N2 O7 -","1","1","CR0428","Wei, Y.; Barton, R.; Robertson, B.","Electron-density and electrostatic potential distributions in nucleoside analogs. I. An experimental study of 3'-<i>O</i>-acetyl-2'-deoxy-5-methoxymethyluridine","Acta Crystallographica Section B","1994","50","2","161","174","10.1107/S0108768193012017","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101121","8.577","0.003","9.197","0.002","11.83","0.002","86.57","0.02","81.88","0.02","69.83","0.02","867.1","0.4","","","","","","","","","","","","5","P 1","P 1","1","","","","- C18 H19 N5 O S -","- C18 H18.5 N5 O S2 -","- C36 H37 N10 O2 S4 -","2","2","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101255","17.909","0.01","18.466","0.01","18.873","0.013","96.65","0.05","114.15","0.05","114.78","0.04","4850","7","293","2","293","2","","","","","","","","5","P 1","P 1","1","Balhimycin","","","- C67 H130 Cl2 N10 O53 -","- C67 H74 Cl2 N10 O52.75 -","- C134 H148 Cl4 N20 O105.5 -","2","2","HU0422","Sheldrick, G. M.; Paulus, E.; Vértesy, L.; Hahn, F.","Structure of ureido-balhimycin","Acta Crystallographica Section B","1995","51","1","89","98","10.1107/S0108768194010190","","","0.71073","MoKα","","0.0802","0.0536","","0.1423","0.1263","","","","1.041","1.119","1.119","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101289","23.9","","15.6","","3.8","","90","","90","","90","","1416.79","","","","","","","","","","","","","3","P 1","P 1","1","","","","- C56 H88 S4 -","- C56 S4 -","- C56 S4 -","1","1","SE0143","Luzny, W.","X-ray diffraction and computer modelling study of the structure and conformation of poly(3-decylthiophene)","Acta Crystallographica Section B","1995","51","2","255","260","10.1107/S0108768194007986","","","1.54184","Cu","","","","","","","","","","","","","","","","warnings","has coordinates","278201","2022-09-27","00:27:37",""
"2101327","10.3796","0.0005","14.5809","0.0005","17.1521","0.0009","105.225","0.003","96.14","0.005","90.248","0.003","2489","0.2","","","","","","","","","","","","4","P 1","P 1","1","","","","- C46 H80 N4 O14 -","- C46 N4 O14 -","- C92 N8 O28 -","2","2","SE0165","Sheldrick, G. M.; Kojić-Prodić, B.; Banić, Z.; Kobrehel, G.; Kujundzić, N.","Structure of 9-deoxo-9a-<i>N</i>-[<i>N</i>'-(4-pyridyl)-carbamoyl]-9a-aza-9a-homoerythromycin A and conformational analysis of analogous 9a-aza 15-membered azalides in the solid state","Acta Crystallographica Section B","1995","51","3","358","366","10.1107/S0108768194012796","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101618","6.3121","0.0002","6.4984","0.0002","3.3886","0.0001","96.604","0.004","97.29","0.004","104.691","0.002","131.786","0.007","293","","","","","","","","","","","4","P 1","P 1","1","","cis-diammine dichloro palladiun(II)","","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd -","1","1","AB0347","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L.","Structures and isomerization in diamminedichloropalladium(II)","Acta Crystallographica Section B","1996","52","6","909","916","10.1107/S0108768196005988","","","1.5418","CuKα","","","0.097","","","0.083","","","","","1.58","1.58","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2102042","18.153","0.007","15.456","0.008","15.251","0.004","102.81","0.02","113.13","0.019","99.9","0.03","3674","3","100","2","100","2","","","","","","","","3","P 1","P 1","1","b-cyclodextrin + 1,12-dodecanedioic acid complex","cyclomaltoheptaose + 1,12-dodecanedioic acid inclusion complex","","- C98.32 H223.88 O102.63 -","- C98.32 H176.43 O102.65 -","- C98.32 H176.43 O102.65 -","1","1","NS0001","Makedonopoulou, Stella; Mavridis, Irene M.","Structure of the inclusion complex of β-cyclodextrin with 1,12-dodecanedioic acid using synchrotron radiation data; a detailed dimeric β-cyclodextrin structure","Acta Crystallographica Section B","2000","56","2","322","331","10.1107/S0108768199014494","","","0.65","synchrotron","","0.0484","0.0474","","","","0.1376","","","","","","1.043","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102043","18.22","0.003","15.488","0.003","15.409","0.003","102.903","0.006","113.122","0.005","99.708","0.005","3735.3","1.2","293","2","293","2","","","","","","","","3","P 1","P 1","1","b-cyclodextrin + 1,12-dodecanedioic acid complex","cyclomaltoheptaose + 1,12-dodecanedioic acid inclusion complex","","- C97.03 H209.44 O96.69 -","- C97.02 H157.07 O96.7 -","- C97.02 H157.07 O96.7 -","1","1","NS0001","Makedonopoulou, Stella; Mavridis, Irene M.","Structure of the inclusion complex of β-cyclodextrin with 1,12-dodecanedioic acid using synchrotron radiation data; a detailed dimeric β-cyclodextrin structure","Acta Crystallographica Section B","2000","56","2","322","331","10.1107/S0108768199014494","","","1.5418","CuKα","","0.097","0.0828","","","","0.2478","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102097","5.3893","0.0012","9.3851","0.0013","12.3681","0.0009","107.054","0.009","98.569","0.012","97.303","0.014","581.65","0.17","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-histidine complexed with maleic acid","","","- C10 H13 N3 O6 -","- C10 H13 N3 O6 -","- C20 H26 N6 O12 -","2","2","HA0195","J.V. Pratap; R. Ravishankar; M.Vijayan","X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine","Acta Crystallographica Section B","2000","56","4","690","696","10.1107/S0108768100002202","","","1.5418","CuKα","","0.0527","0.0512","","0.1686","","0.1473","","","1.069","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102120","5.2438","0.0002","5.3978","0.0002","13.2562","0.0006","93.042","0.001","92.811","0.001","109.897","0.001","351.42","0.02","140","2","140","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C12 H26 N2 O4 -","2","2","OS0046","Dalhus, Bjørn; Görbitz, Carl Henrik","Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid","Acta Crystallographica Section B","2000","56","4","720","727","10.1107/S0108768100002810","","","0.71073","MoKα","","0.0359","0.0326","","0.0973","0.0934","","","","1.078","1.104","1.104","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102234","7.1387","0.0002","7.4974","0.0002","13.5644","0.0004","99.504","0.0009","94.308","0.001","99.6","0.0016","702.05","0.03","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H33.592 Ba N10 O17 -","- C16 H33.592 Ba N10 O17 -","- C16 H33.592 Ba N10 O17 -","1","1","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","","0.0311","0.0303","","","0.0698","0.0749","","","","","","1.014","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102618","6.7765","0.0015","9.718","0.002","11.882","0.003","81.58","0.003","80.484","0.003","88.35","0.003","763.4","0.3","105","2","105","2","","","","","","","","4","P 1","P 1","1","","Ammonium L-Leucyl-L-Leucinate","","- C12 H27 N3 O3 -","- C12 H27 N3 O3 -","- C24 H54 N6 O6 -","2","2","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.083","0.0443","","","0.0928","0.108","","","","","","0.983","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103078","4.8499","0.0003","6.3694","0.0004","8.9106","0.0006","74.401","0.001","83.865","0.001","80.524","0.001","260.93","0.03","130","2","130","2","","","","","","","","6","P 1","P 1","1","Chlorothiazide","6-chloro-4H-1,2,4-benzathiadiazine-7-sulfonamide-1,1-dioxide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","BS5052","Broder, Charlotte K.; Fabbiani, Francesca P. A.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard","Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data","Acta Crystallographica Section B","2008","64","1","101","107","10.1107/S010876810705687X","","neutron","","Neutron","","","","","","","","","","2.624","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103126","5.8757","0.0003","7.8751","0.0004","10.6165","0.0007","70.345","0.002","74.5","0.002","87.435","0.003","445.24","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","N,N'-Dimethylpiperazine‒(S)-malic acid (1/2)","","- C14 H26 N2 O10 -","- C14 H26 N2 O10 -","- C14 H26 N2 O10 -","1","1","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","","0.0676","0.041","","","0.0978","0.1109","","","","","","0.978","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103127","5.1647","0.0004","6.2749","0.0005","10.2126","0.0009","83.235","0.003","89.808","0.003","79.601","0.003","323.21","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4,4'-Bipyridyl‒(S)-malic acid (1/1),triclinic polymorph","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","1","1","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","","0.0639","0.0478","","","0.1193","0.1303","","","","","","1.032","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103130","4.9325","0.0003","8.3343","0.0004","9.3502","0.0007","72.751","0.002","89.414","0.002","80.207","0.002","361.41","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","1,2-Bis-(4'-pyridyl)ethene‒(S)-malic acid (1/1)","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","1","1","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","","0.0612","0.0549","","","0.1361","0.1427","","","","","","1.095","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103255","27.565","0.01","38.624","0.016","10.748","0.004","93.49","0.03","90.9","0.03","117.15","0.03","10151","7","310","2","310","2","","","","","","","","3","P 1","P 1","1","cholestrol","","","- C27 H46 O -","- C27 H46 O -","- C432 H736 O16 -","16","16","BK0099","Hsu, Leh-Yeh; Kampf, Jeff W.; Nordman, Christer E.","Structure and pseudosymmetry of cholesterol at 310K","Acta Crystallographica Section B","2002","58","2","260","264","10.1107/S0108768101018729","","","0.71073","MoKα(CCD),CuKα(Pbar)","","0.068","0.0637","","","0.0943","0.0955","","","","","","1.993","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103265","8.6195","0.0003","9.5654","0.0004","9.8727","0.0004","103.162","0.0018","109.912","0.0018","90.262","0.003","742.22","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","1,2-Bis-(4'-pyridyl)ethene‒(2R,3R)-tartaric acid (1/)","","- C32 H32 N4 O12 -","- C32 H32 N4 O12 -","- C32 H32 N4 O12 -","1","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.1086","0.0491","","","0.111","0.1382","","","","","","0.972","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103285","7.9899","0.0003","8.4278","0.0003","17.0042","0.0007","99.91","0.0012","90.561","0.0013","111.488","0.0017","1046.22","0.07","150","2","150","2","","","","","","","","4","P 1","P 1","1","","Ethyl N-(2-amino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-L-phenylalaninate","","- C22 H23 N5 O4 -","- C22 H23 N5 O4 -","- C44 H46 N10 O8 -","2","2","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.0713","0.0455","","","0.097","0.1095","","","","","","1.009","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103332","5.048","0.003","7.84","0.004","8.839","0.004","81.46","0.05","85.05","0.05","89.35","0.05","344.6","0.3","170","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0089","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment. II. Neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate at 90K and 170K","Acta Crystallographica Section B","2002","58","4","627","631","10.1107/S0108768102004858","","neutron","1.207","neutron","","","0.0549","","","","0.0746","","","","","","1.0116","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103333","5.031","0.003","7.827","0.004","8.835","0.005","81.24","0.04","85.17","0.04","89.16","0.04","342.6","0.3","90","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0089","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment. II. Neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate at 90K and 170K","Acta Crystallographica Section B","2002","58","4","627","631","10.1107/S0108768102004858","","neutron","1.207","neutron","","","0.0544","","","","0.0801","","","","","","1.0846","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103475","10.166","0.002","12.105","0.002","13.313","0.003","88.86","0.03","86.54","0.03","78.14","0.03","1600.3","0.6","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H36 N3 O7 P3 -","- C32 H36 N3 O7 P3 -","- C64 H72 N6 O14 P6 -","2","2","BM0058","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.","Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants","Acta Crystallographica Section B","2002","58","6","1067","1073","10.1107/S0108768102018608","","","0.71073","MoKα","","0.0894","0.0537","","","0.1154","0.1315","","","","","","0.941","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103481","5.353","0.006","6.931","0.008","9.922","0.011","69.53","0.016","89.035","0.017","71.128","0.016","324.4","0.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-arginine-semimalonate","","","- C9 H18 N4 O6 -","- C9 H18 N4 O6 -","- C9 H18 N4 O6 -","1","1","DE0019","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of <small>DL</small>- and <small>L</small>-arginine","Acta Crystallographica Section B","2002","58","6","1051","1056","10.1107/S0108768102018827","","","0.71073","MoKα","","0.0415","0.0384","","","0.1047","0.1068","","","","","","0.978","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103681","5.083","0.003","7.881","0.005","8.863","0.005","81.72","0.05","84.78","0.05","89.59","0.05","349.9","0.4","295","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0070","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate","Acta Crystallographica Section B","2001","57","3","311","316","10.1107/S0108768101003779","","neutron","1.207","neutron","","","0.0638","","","","0.0817","","","","","","1.0383","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103682","5.022","0.002","7.827","0.004","8.838","0.004","80.99","0.02","85.13","0.02","88.95","0.02","341.9","0.3","30","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0070","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate","Acta Crystallographica Section B","2001","57","3","311","316","10.1107/S0108768101003779","","neutron","1.207","neutron","","","0.058","","","","0.0805","","","","","","1.7718","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103747","5.791","0.001","13.11","0.003","14.36","0.003","110.46","0.02","89.78","0.01","95.62","0.02","1016","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","L Histidine complex with glutaric acid","","","- C34 H52 N12 O16 -","- C17 H26 N6 O8 -","- C34 H52 N12 O16 -","2","2","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","","0.0432","0.0419","","","","0.124","","","","","","1.129","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103845","8.5318","0.0002","10.3775","0.0002","23.3884","0.0005","99.819","0.0008","95.478","0.0008","90.787","0.0009","2030.18","0.08","150","1","150","1","","","","","","","","4","P 1","P 1","1","","(1R,3S)-Camphoric acid‒1,2-bis(4-pyridyl)ethane (1/1)","","- C22 H28 N2 O4 -","- C22 H27.9938 N2 O4 -","- C88 H111.975 N8 O16 -","4","4","NA0144","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines","Acta Crystallographica Section B","2003","59","1","118","131","10.1107/S0108768102022358","","","0.71073","MoKα","","0.0724","0.0494","","","0.1234","0.1377","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103872","4.7622","0.0003","5.8123","0.0004","13.5635","0.0011","79.851","0.002","87.346","0.002","89.692","0.005","369.16","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","","2-Amino-6-benzyloxy-4-(N-phenylamino)-5-nitrosopyrimidine","","- C17 H15 N5 O2 -","- C17 H15 N5 O2 -","- C17 H15 N5 O2 -","1","1","NA0145","Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher","Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines","Acta Crystallographica Section B","2003","59","2","263","276","10.1107/S0108768103002477","","","0.71073","MoKα","","0.0744","0.051","","","0.1157","0.1362","","","","","","1.044","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104113","12.8559","0.0006","13.5462","0.0007","17.4215","0.0009","75.39","0.004","83.254","0.004","82.771","0.004","2900.9","0.3","120","2","120","2","","","","","","","","4","P 1","P 1","1","","bis(23-carboxy-24-nor-5beta-cholan-3alpha-yl)terephtalate","","- C66 H92 N2 O8 -","- C66 H92 N2 O8 -","- C132 H184 N4 O16 -","2","2","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","","","0.71073","MoKα","","0.1391","0.0777","","","0.1209","0.1464","","","","","","1.019","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104114","6.8044","0.0005","12.887","0.0009","17.0661","0.0011","94.431","0.006","97.935","0.006","97.341","0.005","1463.14","0.18","180","2","180","2","","","","","","","","4","P 1","P 1","1","","bis(23-carboxy-24-nor-5beta-cholan-3alpha-yl)terephtalate","","- C66 H92 N2 O8 -","- C66 H92 N2 O8 -","- C66 H92 N2 O8 -","1","1","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","","","0.71073","MoKα","","0.0863","0.0499","","","0.1073","0.1235","","","","","","0.927","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104116","7.7755","0.0009","9.8697","0.0011","17.754","0.002","103.04","0.013","101.086","0.01","90.463","0.009","1300.7","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","","bis(23-methoxycarbonyl-24-nor-5beta-cholan-3alpha-yl) piperazine 1,4-dicarboxylate","","- C56.5 H92 N2 O8.5 -","- C56.5 H92 N2 O8.5 -","- C56.5 H92 N2 O8.5 -","1","1","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","","","0.71073","MoKα","","0.1343","0.07","","","0.1326","0.1589","","","","","","0.984","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104253","5.6984","0.0004","9.7762","0.001","13.8553","0.0013","100.011","0.003","94.302","0.005","103.919","0.005","732.26","0.12","173","2","173","2","","","","","","","","4","P 1","P 1","1","","((R)-2-phenylbutyric acid).(iso-nicotinamide)","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","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","","0.094","0.0465","","","0.0918","0.1087","","","","","","1.011","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104254","5.7059","0.0003","9.7727","0.0004","13.8321","0.0007","100.323","0.003","94.09","0.002","103.881","0.003","731.37","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","((S)-2-phenylbutyric acid).(iso-nicotinamide)","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","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","","0.06","0.0533","","","0.1446","0.1512","","","","","","1.044","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104273","5.4491","0.0003","7.3962","0.0004","8.1337","0.0004","79.382","0.004","73.191","0.005","69.544","0.005","292.75","0.03","100","","","","","","","","","","","5","P 1","P 1","1","","","","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","1","1","WS5058","Dittrich, B.; McKinnon, J. J.; Warren, J. E.","Improvement of anisotropic displacement parameters from invariom-model refinements for three <small>L</small>-hydroxylysine structures","Acta Crystallographica Section B","2008","64","6","750","759","10.1107/S0108768108032163","","","0.7107","MoKα","","0.0241","0.0204","","","","0.0194","","","","","","1.7268","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104299","9.2897","0.0007","10.0849","0.0007","11.0897","0.0008","103.203","0.006","111.486","0.007","107.147","0.006","855.11","0.14","140","0.5","140","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H30 N2 O8 -","- C43 H30 N2 O8 -","- C43 H30 N2 O8 -","1","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","","0.0418","0.0311","","","0.0549","0.0577","","","","","","0.911","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104333","7.7821","0.0004","9.9578","0.0005","11.4162","0.0005","88.126","0.001","78.329","0.001","84.34","0.001","862.08","0.07","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C40 H50 O4 -","- C40 H50 O4 -","- C40 H50 O4 -","1","1","RY5026","Bartalucci, Giuditta; Fisher, Stuart; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Warren, John E.; Wilkinson, James","X-ray crystal structures of diacetates of 6-s-<i>cis</i> and 6-s-<i>trans</i> astaxanthin and of 7,8-didehydroastaxanthin and 7,8,7',8'-tetradehydroastaxanthin: comparison with free and protein-bound astaxanthins","Acta Crystallographica Section B","2009","65","2","238","247","10.1107/S0108768109004649","","","0.6709","synchrotron","","0.0475","0.0459","","","0.1245","0.1261","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104334","7.4769","0.0014","10.4729","0.0019","11.633","0.002","75.606","0.002","85.901","0.002","76.389","0.002","857.5","0.3","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C40 H48 O4 -","- C40 H48 O4 -","- C40 H48 O4 -","1","1","RY5026","Bartalucci, Giuditta; Fisher, Stuart; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Warren, John E.; Wilkinson, James","X-ray crystal structures of diacetates of 6-s-<i>cis</i> and 6-s-<i>trans</i> astaxanthin and of 7,8-didehydroastaxanthin and 7,8,7',8'-tetradehydroastaxanthin: comparison with free and protein-bound astaxanthins","Acta Crystallographica Section B","2009","65","2","238","247","10.1107/S0108768109004649","","","0.671","synchrotron","","0.0853","0.042","","","0.0926","0.1048","","","","","","1.012","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104336","25.6201","0.0004","10.2408","0.0002","11.3279","0.0002","107.218","0.001","110.245","0.002","33.016","0.001","1519.28","0.06","275","2","275","2","","","","","","","","3","P 1","P 1","1","","calcium(II) tellurium(IV) oxide - beta","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","18","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0855","0.0525","","","0.0999","0.113","","","","","","1.044","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104337","25.622","0.0004","10.2426","0.0002","11.3327","0.0002","107.218","0.001","110.245","0.002","33.019","0.001","1520.42","0.06","295","2","295","2","","","","","","","","3","P 1","P 1","1","","calcium(II) tellurium(IV) oxide - beta","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","18","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0848","0.0506","","","0.0927","0.1054","","","","","","1.044","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104873","19.497","0.004","5.297","0.001","8.868","0.002","58.32","0.02","148.78","0.02","127.3","0.02","377.6","0.3","295","","295","","","","","","","","","3","P 1","P 1","1","","Dinickel(II) diarsenate(V)","","- As2 Ni2 O7 -","- As2 Ni2 O7 -","- As6 Ni6 O21 -","3","3","SN5100","Weil, Matthias; Stöger, Berthold","Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure","Acta Crystallographica Section B","2010","66","6","603","614","10.1107/S0108768110040802","","","0.71069","MoKα","","0.0271","0.0269","","","0.0316","0.0317","","","","","","1.76","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104878","7.4277","0.0002","7.4388","0.0003","13.5369","0.0005","90.176","0.002","79.737","0.002","70.8","0.002","693.52","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","2","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.7107","MoKα","","0.041","0.0394","","","0.0994","0.1008","","","","","","1.077","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105209","7.67982","0.00019","9.717","0.0003","4.82857","0.00013","96.0388","0.001","106.806","0.0008","96.094","0.001","339.478","0.016","293","","293","","","","","","","","","3","P 1","P 1","1","L-arabinitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C10 H24 O10 -","2","2","PS5016","Derollez, Patrick; Guinet, Yannick; Affouard, Frédéric; Danède, Florence; Carpentier, Laurent; Hédoux, Alain","Structure determination of <small>L</small>-arabinitol by powder X-ray diffraction","Acta Crystallographica Section B","2012","68","4","407","411","10.1107/S0108768112019994","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105446","5.10141","0.00012","5.53079","0.00013","9.0323","0.0002","79.0266","0.001","75.7579","0.0009","78.8261","0.0009","239.586","0.01","110","","110","","","","","","","","","3","P 1","P 1","1","n-butanol","","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","2","PS5021","Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent","Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy","Acta Crystallographica Section B","2013","69","2","195","202","10.1107/S0108768113004849","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.028879","2.94","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105547","14.417","0.003","6.0303","0.0004","17.564","0.006","88.736","0.01","101.43","0.02","93.135","0.01","1494.4","0.6","270","","293","","","","","","","","","4","P 1","P 1","1","","(R)-1,1-bis(4-tert-butylphenyl)-2-(4-methylphenyl)ethan-1,2-diol dimethylformamide 1:1 complex","","- C32 H43 N O3 -","- C33 H46 N O3 -","- C66 H92 N2 O6 -","2","2","BM0010","Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.","Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid","Acta Crystallographica Section B","1998","54","1","82","93","10.1107/S0108768197010471","","","1.5418","CuKα","","0.093","0.071","","0.102","0.083","","","","0.95","0.952","0.952","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105595","5.0668","0.0014","9.7572","0.0013","13.141","0.003","111.11","0.02","92.75","0.02","91.97","0.03","604.4","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-Arginine semi-oxalate","","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","2","LI0261","Chandra, N. R.; Prabu, M. M.; Venkatraman, J.; Suresh, S.; Vijayan, M.","X-ray Studies on Crystalline Complexes Involving Amino Acids and Peptides. XXXIII. Crystal Structures of <small>L</small>- and <small>DL</small>-Arginine Complexed with Oxalic Acid and a Comparative Study of Amino Acid‒Oxalic Acid Complexes","Acta Crystallographica Section B","1998","54","3","257","263","10.1107/S0108768197011543","","","0.71068","MoKα","","0.0447","0.0343","","0.0968","0.0896","","","","1.025","1.025","1.025","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105768","13.435","0.0015","13.8806","0.0015","16.3609","0.0018","110.194","0.002","106.492","0.002","104.003","0.002","2542.2","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H38 Ag7 F15 O14 S4 -","- C31 H38 Ag7 F15 O14 S4 -","- C62 H76 Ag14 F30 O28 S8 -","2","2","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0902","0.0865","","","0.2315","0.2351","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105941","5.10141","0.00012","5.53079","0.00013","9.0323","0.0002","79.0266","0.001","75.7579","0.0009","78.8261","0.0009","239.586","0.01","110","","110","","","","","","","","","3","P 1","P 1","1","n-butanol","","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","2","PS5021","Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent","Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy","Acta Crystallographica Section B","2013","69","2","195","202","10.1107/S2052519213004843","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.028879","2.94","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105953","150","","150","","4.181","","90","","90","","90","","94072.5","","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- Al67.4 Ni14.7 Rh17.8 -","- Al4083.88 Ni884.141 Rh1082.99 -","- Al4083.88 Ni884.141 Rh1082.99 -","1","1","","Logvinovich, Dmitry; Simonov, Arkadiy; Steurer, Walter","Structure of decagonal Al‒Ni‒Rh","Acta Crystallographica Section B","2014","70","4","732","742","10.1107/S2052520614010750","","","0.698","synchrotron","","0.1064","0.071","","","0.042","0.0477","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106066","9.87","","8.27","","9.83","","139.9","","94.8","","93.8","","504.294","","","","","","","","","","","","","3","P 1","P 1","1","","Al Se Cl7","","- Al Cl7 Se -","- Al Cl7 Se -","- Al2 Cl14 Se2 -","2","2","","Stork-Blaisse, B.A.; Romers, C.","The Crystal Structure of Al Se Cl7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","386","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106184","6.91","","6.627","","6.998","","96.34","","103.82","","88.33","","309.275","","","","","","","","","","","","","4","P 1","P 1","1","","Ca (H P O4)","","- Ca H O4 P -","- Ca H O4 P -","- Ca4 H4 O16 P4 -","4","4","","Catti, M.; Ferraris, G.; Filhol, A.","Hydrogen bonding in the crystalline state. Ca H P O4 (monetite) , P1- or P1? A novel neutron diffraction study","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1223","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106757","22","","9.63","","6.87","","90.13","","92.13","","108.36","","1380.28","","","","","","","","","","","","","4","P 1","P 1","1","","Ca10 (P O4)4 (O H)","","- Ca10 H O17 P4 -","- Ca10 O17 P4 -","- Ca10 O17 P4 -","1","1","","Fernandez, M.E.; Ascencio, J.A.; Zorrilla-Cangas, C.; Garcia-Garcia, R.; Reyes-Gasga, J.","New model for the hydroxyapatite - octacalcium phosphate interface","Acta Crystallographica B (39,1983-)","2003","59","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106778","5.67","0.003","13.9408","0.0009","22.7908","0.0018","80.903","0.005","82.854","0.014","78.27","0.02","1733.7","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- As2 Bi30 O77 S9 -","- As0.42 Bi7.5 O15.3 S2.33 -","- As1.68 Bi30 O61.2 S9.32 -","4","4","","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","","0.239","0.1189","","","0.2719","0.3741","","","","","","0.967","","","","has coordinates,has Fobs","201369","2020-10-21","18:00:00",""
"2107482","9.3389","0.0007","10.3155","0.0008","24.3224","0.0018","96.277","0.003","92.393","0.003","90.009","0.002","2327","0.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C46 H55 Cl2 Fe N3 O5 P2 -","- C46 H55 Cl2 Fe N3 O5 P2 -","- C92 H110 Cl4 Fe2 N6 O10 P4 -","2","2","UM5003","Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory","Acta Crystallographica Section B","2015","71","5","524","534","10.1107/S2052520615015097","","","0.71069","MoKα","","0.0602","0.0513","","","0.069","0.0703","","","","","","1.76","","","","has coordinates","178107","2020-10-21","18:00:00",""
"2107483","18.3127","0.0003","21.3286","0.0004","29.264","0.0006","81.874","0.001","89.211","0.001","69.108","0.001","10563.1","0.3","90","0.2","90","0.2","","","","","","","","7","P 1","P 1","1","","","","- C46.111 H40.444 F12 N8 O1.333 P2 Ru -","- C46.1111 H40.4444 F12 N8 O1.33333 P2 Ru -","- C415 H364 F108 N72 O12 P18 Ru9 -","9","9","BM5083","Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt","An exceptional 5:4 enantiomeric structure","Acta Crystallographica Section B","2016","72","2","223","231","10.1107/S205252061600127X","","","1.54178","CuKα","","0.0627","0.0574","","","0.1476","0.1529","","","","","","1.035","","","","has coordinates,has Fobs","180692","2020-10-21","18:00:00",""
"2107500","8.1432","0.0008","9.879","0.001","13.567","0.0015","99.386","0.005","99.515","0.005","103.137","0.005","1025.1","0.19","300","2","300","2","","","","","","","","8","P 1","P 1","1","","","","- C32 H27 Ag2 B2 F8 N10 O6 P3 -","- C32 H27 Ag2 B2 F8 N10 O6 P3 -","- C32 H27 Ag2 B2 F8 N10 O6 P3 -","1","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0796","0.0748","","","0.2109","0.2174","","","","","","1.11","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2108199","7.4536","0.0001","7.4603","0.0002","13.6011","0.0003","79.6877","0.0012","89.2981","0.0014","69.3688","0.0012","695.31","0.03","150","2","150","2","","","","","","","synthesized by the authors","5","P 1","P 1","1","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0309","0.0289","","","0.077","0.0785","","","","","","1.04","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108696","7.860187","","7.839117","","7.860187","","90","","89.7476","","90","","484.316","","0","","","","","","","","","","","4","P 1","P 1","1","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.12 Fe La0.88 O3 -","- Ca0.125 Fe La0.875 O3 -","- Ca Fe8 La7 O24 -","8","8","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108698","7.793071","","7.757502","","7.793071","","90","","88.7865","","90","","471.023","","0","","","","","","","","","","","4","P 1","P 1","1","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.12 Fe Nd0.88 O3 -","- Ca0.125 Fe Nd0.875 O3 -","- Ca Fe8 Nd7 O24 -","8","8","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108987","7.245","0.0017","7.251","0.0012","16.014","0.003","91.685","0.011","97.664","0.007","112.798","0.008","765.6","0.3","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 Cu N2 O9 -","- C34 H34 Cu N2 O9 -","- C34 H34 Cu N2 O9 -","1","1","","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","","","0.79986","synchrotron","","0.0613","0.06","","","0.157","0.1589","","","","","","1.042","","","","has coordinates,has Fobs","275739","2022-06-02","02:16:28",""
"2109009","7.1158","0.0002","13.118","0.0003","14.9298","0.0004","91.25","0.002","91.505","0.002","99.452","0.002","1373.75","0.06","130","2","130","2","","","","","","","","3","P 1","P 1","1","methyl ester of oleanolic acid","","","- C31 H50 O3 -","- C31 H50 O3 -","- C62 H100 O6 -","2","2","RM5063","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0314","0.0313","","","0.084","0.0842","","","","","","1.033","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:18",""
"2109010","7.1484","0.0001","13.3087","0.0003","15.0523","0.0003","92.456","0.002","94.221","0.002","98.518","0.002","1410.28","0.05","130","2","130.15","","","","","","","","","3","P 1","P 1","1","ethyl ester of oleanolic acid","","","- C32 H52 O3 -","- C32 H52 O3 -","- C64 H104 O6 -","2","2","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0353","0.0349","","","0.0924","0.0927","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","276889","2022-07-23","03:46:19",""
"2109011","7.1965","0.0002","13.3283","0.0002","15.0866","0.0003","92.599","0.001","94.416","0.002","98.623","0.002","1424.08","0.05","130","2","130.15","","","","","","","","","3","P 1","P 1","1","","","","- C32 H50.57 O4 -","- C32 H50.568 O4 -","- C64 H101.136 O8 -","2","2","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0397","0.039","","","0.1001","0.1008","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","276889","2022-07-23","03:46:19",""
"2109012","7.1971","0.0002","13.5381","0.0003","15.4611","0.0004","94.146","0.002","96.768","0.002","96.674","0.002","1480.16","0.07","130","2","130","2","","","","","","","","3","P 1","P 1","1","isopropyl ester of oleanolic acid","","","- C33 H54 O3 -","- C33 H54 O3 -","- C66 H108 O6 -","2","2","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0335","0.0326","","","0.0843","0.0854","","","","","","1.029","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:19",""
"2200233","4.9745","0.0002","5.3035","0.0002","6.7548","0.0002","89.733","0.002","102.717","0.002","99.6012","0.0013","171.305","0.011","110","2","110","2","","","","","","","","5","P 1","P 1","1","Lithium orotate monohydrate","lithium 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate monohydrate","","- C5 H5 Li N2 O5 -","- C5 H5 Li N2 O5 -","- C5 H5 Li N2 O5 -","1","1","WN6002","Lutz, Martin","Lithium orotate monohydrate","Acta Crystallographica Section E","2001","57","3","m103","m105","10.1107/S1600536801002392","","","0.71073","MoKα","","0.0319","0.0298","","","","0.0789","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200490","8.34","0.0013","8.9291","0.0011","10.724","0.002","102.576","0.013","107.704","0.015","119.667","0.011","592","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","Bis(L-histidinium sulfate) trihydrate","Bis(L-histidinium sulfate) trihydrate","","- C6 H14 N3 O7.5 S -","- C6 H14 N3 O7.515 S -","- C12 H28 N6 O15.03 S2 -","2","2","NA6086","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(<small>L</small>-histidinium sulfate) trihydrate","Acta Crystallographica Section E","2001","57","7","o607","o609","10.1107/S1600536801009758","","","1.5418","CuKα","","0.0524","0.0519","","","","0.1475","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200610","10.0853","0.0002","10.0892","0.0002","30.1129","0.0007","88.403","0.002","88.589","0.009","90.021","0.001","3061.95","0.11","180","2","180","2","","","","","","","","4","P 1","P 1","1","","Pentacyclohexyloxyphosphorane","","- C30 H55 O5 P -","- C30 H55 O5 P -","- C120 H220 O20 P4 -","4","4","CF6107","Davies, John E.; Kirby, Anthony J.; Roussev, Christo D.","Pentacyclohexyloxyphosphorane","Acta Crystallographica Section E","2001","57","11","o994","o995","10.1107/S1600536801015951","","","0.71073","MoKα","","0.0499","0.0435","","","","0.1078","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200648","8.957","0.001","9.667","0.001","9.827","0.001","110.1","0.01","92.42","0.01","110.39","0.01","736.21","0.16","293","2","293","2","","","","","","","","3","P 1","P 1","1","Rearranged taxoid","10,13-Deacetyl abeo-baccatin IV","","- C28 H40 O12 -","- C28 H40 O12 -","- C28 H40 O12 -","1","1","CI6071","Chattopadhyay, Sunil K.; Sharon, Ashoke; Yadav, Umesh; Srivastava, Sachin; Mehta, Vijay K.; Maulik, Prakas R.","A taxane diterpenoid from the needles of <i>Taxus wallichiana</i>","Acta Crystallographica Section E","2001","57","12","o1158","o1160","10.1107/S1600536801018773","","","0.71073","MoKα","","0.039","0.038","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200847","8.5321","0.0003","12.0941","0.0004","16.6243","0.0006","70.7225","0.0014","85.0894","0.0014","71.5179","0.0014","1535.38","0.09","291","1","291","1","","","","","","","","5","P 1","P 1","1","","","","- C29 H35 Cl O9 S2 -","- C29 H35 Cl O9 S2 -","- C58 H70 Cl2 O18 S4 -","2","2","CF6136","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","3-(7,7-Dimethyl-2-oxobicyclo[2.2.1.]hept-1-ylmethanesulfonyloxy)-2-methyl-2-(toluene-4-sulfonyloxymethyl)propyl 4-chlorobenzoate","Acta Crystallographica Section E","2002","58","1","o72","o73","10.1107/S1600536801021420","","","0.71073","MoKα","","0.1026","0.0379","","","0.0682","0.0782","","","","","","0.841","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200959","12.2735","0.0017","34.237","0.007","6.2739","0.0008","90.224","0.014","93.705","0.01","91.576","0.014","2629.8","0.7","293","2","293","2","","","","","","","","3","P 1","P 1","1","Cholesterol hemimethanolate","","","- C27.5 H48 O1.5 -","- C27.5 H48 O1.5 -","- C110 H192 O6 -","4","4","OM6071","Shieh, Huey-Sheng; Nordman, Christer E.","Cholesterol hemimethanol solvate","Acta Crystallographica Section E","2002","58","1","o79","o80","10.1107/S1600536801020487","","","1.5418","CuKα","","0.0671","0.0535","","","0.0991","0.1019","","","","","","2.085","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2201007","12.536","0.002","12.596","0.002","13.306","0.002","79.09","0.01","62.05","0.01","65.88","0.01","1693.9","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","Bis(L-glutamic acid) sulfate hemihydrate","Bis(L-glutamic acid) sulfate hemihydrate","","- C10 H21 N2 O12.5 S -","- C10 H21 N2 O12.5 S -","- C40 H84 N8 O50 S4 -","4","4","YA6087","B. Sridhar; N. Srinivasan; R. K. Rajaram","Bis(<small>L</small>-glutamic acid) sulfate hemihydrate","Acta Crystallographica Section E","2002","58","3","o272","o276","10.1107/S1600536802002234","","","0.71073","MoKα","","0.037","0.033","","","0.085","0.087","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201139","7.818","0.0002","11.285","0.0003","18.683","0.0005","90.906","0.001","91.966","0.0011","90.094","0.0014","1647.15","0.08","150","1","150","1","","","","","","","","5","P 1","P 1","1","","(1R,2R,5R,6S)-5,6-Bis(4-methoxybenzyloxymethyl)-2-(methylphenylamino)cyclohex- 3-enyl 4-bromobenzoate","","- C38 H40 Br N O6 -","- C38 H40 Br N O6 -","- C76 H80 Br2 N2 O12 -","2","2","NA6147","Lautens, Mark; Lough, Alan J.; Fagnou, Keith","(1<i>R</i>,2<i>R</i>,5<i>R</i>,6<i>S</i>)-5,6-Bis(4-methoxybenzyloxymethyl)-2-(methylphenylamino)cyclohex-3-enyl 4-bromobenzoate","Acta Crystallographica Section E","2002","58","5","o542","o543","10.1107/S1600536802006499","","","0.7107","MoKα","","0.082","0.06","","","0.137","0.15","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201144","8.234","0.0016","8.7827","0.0018","14.9145","0.0018","89.299","0.011","78.697","0.011","89.906","0.007","1057.6","0.3","150","","150","","","","","","","","","5","P 1","P 1","1","","3-Methyl 5-[(S)-2-methylbutyl] 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate","","- C22 H27 F2 N O5 -","- C22 H27 F2 N O5 -","- C44 H54 F4 N2 O10 -","2","2","NA6152","Kooijman, Huub; Spek, Anthony L.; Sobolev, Arkadij; Jongejan, Hugo; Franssen, Maurice C. R.","3-Methyl 5-[(<i>S</i>)-2-methylbutyl] 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2002","58","5","o532","o534","10.1107/S1600536802006487","","","0.71073","MoKa","","0.0834","0.046","","","0.0839","0.0948","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201309","7.938","0.002","9.5038","0.0014","9.906","0.003","100.765","0.013","102.87","0.02","107.855","0.01","666.7","0.3","120","2","120","2","","","","","","","","4","P 1","P 1","1","","(+)-(R,E)-2-Ethylidene-4-ferrocenylcyclopentanone","","- C17 H18 Fe O -","- C17 H18 Fe O -","- C34 H36 Fe2 O2 -","2","2","BT6198","Van der Maelen Uría, Juan Francisco; García-Granda, Santiago; López, Salomé","(+)-(<i>R,E</i>)-2-Ethylidene-4-ferrocenylcyclopentanone","Acta Crystallographica Section E","2002","58","11","m613","m615","10.1107/S160053680201783X","","","1.54178","CuKα","","0.1235","0.1108","","","0.2812","0.3005","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201369","6.991","0.001","11.674","0.002","13.528","0.002","79.327","0.01","76.866","0.013","78.438","0.014","1042","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","16-(2-Pyridylmethylene)-androst-4-ene-3,17-dione","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C50 H58 N2 O4 -","2","2","CI6130","Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P.","16-(2-Pyridylmethylene)androst-4-ene-3,17-dione","Acta Crystallographica Section E","2002","58","7","o753","o755","10.1107/S1600536802009844","","","1.5418","CuKα","","0.038","0.036","","","0.098","0.102","","","","","","0.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201371","5.1263","0.0008","9.461","0.001","10.322","0.002","88.138","0.005","76.447","0.004","89.745","0.005","486.42","0.13","293","2","293","2","","","","","","","","5","P 1","P 1","1","L-argininium chloride","L-argininium chloride","","- C6 H15 Cl N4 O2 -","- C6 H15 Cl N4 O2 -","- C12 H30 Cl2 N8 O4 -","2","2","CI6132","B. Sridhar; N. Srinivasan; Bjoern Dalhus; R. K. Rajaram","A triclinic polymorph of <small>L</small>-argininium chloride","Acta Crystallographica Section E","2002","58","7","o747","o749","10.1107/S160053680201022X","","","0.71074","MoKα","","0.045","0.042","","","0.134","0.136","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201595","9.8088","0.0003","10.608","0.0003","12.0502","0.0004","93.5","0.002","110.936","0.002","114.273","0.002","1035.21","0.06","180","2","180","2","","","","","","","","5","P 1","P 1","1","CUmof-5","catena-Poly[[[diaquacadmium(II)]-di-μ-4,4'-trimethylenedipyridine-κ^2^N:N'] dinitrate 4,4'-trimethylenedipyridine monohydrate]","","- C39 H48 Cd N8 O9 -","- C39 H48 Cd N8 O9 -","- C39 H48 Cd N8 O9 -","1","1","OB6191","Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek","<i>catena</i>-Poly[[[diaquacadmium(II)]-di-μ-4,4'-trimethylenedipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate 4,4'-trimethylenedipyridine monohydrate]","Acta Crystallographica Section E","2002","58","12","m730","m732","10.1107/S1600536802020573","","","0.7107","MoKα","","0.0257","0.0255","","","0.066","0.0663","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201641","7.6919","0.0008","8.1526","0.0009","12.2337","0.0015","87.249","0.009","88.694","0.008","89.414","0.007","766.05","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","Nicotinium tetrachlorocuprate(II)","Nicotinium tetrachlorocuprate(II)","","- C10 H16 Cl4 Cu N2 -","- C10 H16 Cl4 Cu N2 -","- C20 H32 Cl8 Cu2 N4 -","2","2","TK6078","Choi, Sung-Nak; Lee, Yong-Min; Lee, Hong-Woo; Kang, Sung Kwon; Kim, Young-Inn","Nicotinium tetrachlorocuprate(II)","Acta Crystallographica Section E","2002","58","10","m583","m585","10.1107/S1600536802017154","","","0.71073","MoKα","","0.052","0.038","","","0.085","0.099","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201648","9.641","0.001","9.997","0.001","11.042","0.001","84.77","0.01","69.72","0.01","69.59","0.01","935.06","0.18","293","2","","","","","","","","","","4","P 1","P 1","1","","tert-Butyl (7R)-7-[(4S)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1,4-dioxa-8- azaspiro[4.5]decane-8-carboxylate","","- C17 H29 N O6 -","- C17 H29 N O6 -","- C34 H58 N2 O12 -","2","2","WN6098","Badorrey, Ramon; Cativiela, Carlos; Díaz-de-Villegas, Maria D.; Gálvez, Jose A.","<i>tert</i>-Butyl (7<i>R</i>)-7-[(4<i>S</i>)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate","Acta Crystallographica Section E","2002","58","7","o750","o752","10.1107/S160053680200898X","","","0.71073","MoKα","","0.1022","0.0494","","","0.0966","0.1191","","","","","","0.971","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201775","6.74","0.002","11.295","0.003","11.647","0.003","67.18","0.02","81.59","0.02","85.49","0.02","808.2","0.4","178","2","178","2","","","","","","","","3","P 1","P 1","1","","(S)-4,16-Dihydroxymethyl-[2.2]paracyclophane bis-(1S)-camphanoate","","- C38 H44 O8 -","- C38 H44 O8 -","- C38 H44 O8 -","1","1","BT6213","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","(<i>S</i>)-4,16-Dihydroxymethyl-[2.2]paracyclophane bis-(1<i>S</i>)-camphanoate","Acta Crystallographica Section E","2003","59","1","o24","o25","10.1107/S1600536802022328","","","0.71073","MoKα","","0.0467","0.0366","","","0.0876","0.0949","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201781","5.2","0.002","10.132","0.004","10.768","0.004","65.66","0.02","83.87","0.02","79.63","0.03","508.1","0.3","160","2","160","2","","","","","","","","4","P 1","P 1","1","","Benzyl (2S)-2-tert-butoxycarbonylamino-5-(2-furyl)-5-oxopentanoate","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C21 H25 N O6 -","1","1","BT6219","Clegg, William; Jackson, Richard F. W.; Wishart, Neil","Benzyl (2<i>S</i>)-2-<i>tert</i>-butoxycarbonylamino-5-(2-furyl)-5-oxopentanoate","Acta Crystallographica Section E","2003","59","1","o86","o88","10.1107/S1600536802023231","","","0.71073","MoKα","","0.032","0.0306","","","0.0798","0.0813","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201931","13.984","0.0003","14.0507","0.0002","15.4152","0.0004","86.201","0.006","84.847","0.007","89.898","0.007","3009.96","0.12","180","2","180","2","","","","","","","","4","P 1","P 1","1","","Tetrabutylammonium 2,6-dihydroxybenzoate 2,6-dihydroxybenzoic acid solvate","","- C30 H47 N O8 -","- C30 H47 N O8 -","- C120 H188 N4 O32 -","4","4","CV6172","Almeida Paz, Filipe A.; Soares-Santos, Paula C. R.; Nogueira, Helena I. S.; Trindade, Tito; Klinowski, Jacek","Tetrabutylammonium 2,6-dihydroxybenzoate 2,6-dihydroxybenzoic acid solvate","Acta Crystallographica Section E","2003","59","4","o506","o508","10.1107/S1600536803004987","","","0.71073","MoKα","","0.0573","0.043","","","0.1044","0.1131","","","","","","1.123","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201997","7.4573","0.0014","7.9472","0.0015","11.748","0.002","96.859","0.003","104.061","0.004","108.599","0.003","625.3","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(S)-2,2'-Bis(4-nitro-2-pyridyloxy)-1,1'-binaphthalene","","- C30 H18 N4 O6 -","- C30 H18 N4 O6 -","- C30 H18 N4 O6 -","1","1","FL6032","Wang, Ruihu; Xu, Lijin; Chen, Gang; Zhou, Zhongyuan; Hong, Maochun; Cao, Rong; Chan, Albert S. C.","(<i>S</i>)-2,2'-Bis(4-nitro-2-pyridyloxy)-1,1'-binaphthalene","Acta Crystallographica Section E","2003","59","6","o865","o867","10.1107/S1600536803009292","","","0.71073","MoKα","","0.0492","0.0366","","","0.0856","0.092","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202221","5.674","0.003","9.803","0.009","9.906","0.008","87.37","0.07","99.64","0.05","100.35","0.06","534.3","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-Leucinium oxalate","L-Leucinium oxalate","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C16 H30 N2 O12 -","2","2","WN6161","K. Rajagopal; R. V. Krishnakumar; M. Subha Nandhini; R. Malathi; S. S. Rajan; S. Natarajan","<small>L</small>-Leucinium oxalate","Acta Crystallographica Section E","2003","59","6","o878","o880","10.1107/S1600536803011267","","","1.54178","CuKα","","0.0483","0.0448","","","0.1132","0.1166","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202367","7.4392","0.0001","8.4408","0.0001","8.7411","0.0002","113.027","0.001","97.04","0.001","101.818","0.001","481.76","0.015","150","1","150","1","","","","","","","","6","P 1","P 1","1","","","","- C17 H23 Cl2 N3 O2 Zn -","- C17 H23 Cl2 N3 O2 Zn -","- C17 H23 Cl2 N3 O2 Zn -","1","1","BT6337","Panosyan, Francis B.; Lough, Alan J.; Chin, Jik","{2,6-Bis[(4<i>R</i>)-(+)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-κ^3^<i>N</i>}dichlorozinc(II)","Acta Crystallographica Section E","2003","59","10","m864","m866","10.1107/S160053680301924X","","","0.71073","MoKα","","0.0319","0.0313","","","0.0791","0.0796","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202634","11.4692","0.001","11.8174","0.0012","17.6837","0.0014","96.925","0.009","104.907","0.006","95.201","0.008","2280.7","0.4","298","1","298","1","","","","","","","","3","P 1","P 1","1","Pregnenolone hemisuccinate","Succinic acid mono(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14, 15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester","","- C25 H36 O5 -","- C25 H36 O5 -","- C100 H144 O20 -","4","4","FL6046","Bernès, Sylvain; Torrens, Hugo; López-Giral, Angela; Buttenklepper, Alfredo","Pregnenolone hemisuccinate: a <i>P</i>1 structure with <i>Z</i>' = 4","Acta Crystallographica Section E","2003","59","9","o1372","o1375","10.1107/S160053680301835X","","","0.71073","MoKα","","0.094","0.0664","","","0.1727","0.191","","","","","","1.26","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202648","7.781","0.002","10.598","0.003","12.432","0.004","95.131","0.011","107.49","0.012","97.32","0.02","960.9","0.5","100","","100","","","","","","","","","3","P 1","P 1","1","1-β-hydroxycorticosterone","4-Pregnen-1β, 11β, 21-triol-3, 20-dione","","- C21 H31 O5.5 -","- C21 H31 O5.5 -","- C42 H62 O11 -","2","2","FL6061","Gadepalli, Rama Sarma V. S.; Rimoldi, John M.; Fronczek, Frank R.","1-β-Hydroxycorticosterone hemihydrate","Acta Crystallographica Section E","2003","59","10","o1525","o1527","10.1107/S1600536803020361","","","0.71073","MoKα","","0.054","0.038","","","0.084","0.089","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202871","6.2144","0.0001","6.8078","0.0001","8.4492","0.0002","102.896","0.0009","94.7214","0.0009","110.262","0.001","321.861","0.011","90","0.2","90","0.2","","","","","","","","5","P 1","P 1","1","","(Z)-(2-Benzo[b]thiophen-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C16 H15 N O S -","- C16 H15 N O S -","- C16 H15 N O S -","1","1","OM6181","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(Benzo[<i>b</i>]thiophen-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2003","59","11","o1726","o1728","10.1107/S1600536803022797","","","0.71073","MoKα","","0.0263","0.0257","","","0.0685","0.0696","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202930","8.194","0.002","8.308","0.002","5.463","0.003","106.12","0.03","101.98","0.03","95.69","0.02","344.6","0.2","295","2","293","2","","","","","","","","4","P 1","P 1","1","2-Methoxyphenylhydrazone Dehydroascorbic Acid","(3Z)-5-(1,2-dihydroxyethyl) -2,3,4(5H)-furantrione 3-[(2-methoxyphenyl)hydrazone]","","- C13 H14 N2 O6 -","- C13 H14 N2 O6 -","- C13 H14 N2 O6 -","1","1","TK6128","Tokiko Imai; Yokoyama Yoshihiro; Akiko Sekine; Hidediro Uekusa; Yuji Ohashi","The 2-methoxyphenylhydrazone derivative of dehydroascorbic acid","Acta Crystallographica Section E","2003","59","9","o1241","o1243","10.1107/S1600536803016660","","","0.71069","MoKα","","0.129","0.073","","","0.204","0.221","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202945","5.7016","0.001","11.4864","0.0015","11.5542","0.0017","67.953","0.011","81.158","0.013","79.379","0.015","686.37","0.19","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","2","WN6164","M.Alagar; R.V. Krishnakumar; K.Rajagopal; M. Subha Nandhini; S.Natarajan","<small>L</small>-Phenylalanine fumaric acid","Acta Crystallographica Section E","2003","59","7","o952","o954","10.1107/S1600536803011942","","","0.71073","MoKα","","0.0429","0.0318","","","0.0798","0.0851","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203008","7.5177","0.0008","9.6277","0.001","11.1566","0.0012","89.008","0.002","79.373","0.002","87.054","0.002","792.57","0.15","293","2","293","2","","","","","","","","4","P 1","P 1","1","(S)-(-)-α-methylbenzylaminium 3,5-dinitrosalicylate","(S)-(-)-1-phenylethylaminium 3,5-dinitrosalicylate","","- C15 H15 N3 O7 -","- C15 H15 N3 O7 -","- C30 H30 N6 O14 -","2","2","WW6138","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","(<i>S</i>)-(‒)-1-Phenylethylaminium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2003","59","12","o1977","o1979","10.1107/S1600536803024668","","","0.71073","MoKα","","0.0625","0.0447","","","0.0979","0.1074","","","","","","0.93","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203226","34.738","0.004","9.5934","0.0012","10.0715","0.0019","90.278","0.012","93.993","0.011","90.021","0.01","3348.2","0.9","248","","","","","","","","","","","4","P 1","P 1","1","","","","- C79 H83 N O10 -","- C79 H83 N O10 -","- C158 H166 N2 O20 -","2","2","SU6066","Ohba, Shigeru; Miyamoto, Hisakazu","(<i>R,R</i>)-(‒)-<i>trans</i>-1,4-Dioxaspiro[4,4]nonane-2,3-diylbis(diphenylmethanol)‒<i>N</i>-allyl-<i>N</i>-propyl-3-oxocyclohexene-1-carboxamide (2/1)","Acta Crystallographica Section E","2004","60","2","o216","o218","10.1107/S1600536804000145","","","1.5418","CuKα","","","0.0768","","","","0.2223","","","","","","1.037","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203322","10.374","0.0005","10.8633","0.0007","13.2251","0.0004","67.725","0.003","79.262","0.004","65.743","0.004","1256.6","0.12","293","","","","","","","","","","","5","P 1","P 1","1","","(+)-cis-1-Acetyl-4-[4-[[(2R,4S)-2-(2,4-dichloro-phenyl) -2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine,","","- C26 H28 Cl2 N4 O4 -","- C26 H28 Cl2 N4 O4 -","- C52 H56 Cl4 N8 O8 -","2","2","NA6292","Oswald M. Peeters; Norbert M. Blaton; John G. Gerber; Joseph Gal","(+)-<i>cis</i>-1-Acetyl-4-(4-{[(2<i>R</i>,4<i>S</i>)-2-(2,4-dichlorophenyl)-2-(1<i>H</i>-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine [(2<i>R</i>,4<i>S</i>)-(+)-ketoconazole]","Acta Crystallographica Section E","2004","60","3","o367","o369","10.1107/S1600536804003046","","","1.54178","CuKα","","0.0394","0.0385","","0.1083","","0.1083","","","1.05","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203342","7.509","0.002","7.777","0.002","8.43","0.002","83.776","0.006","68.993","0.005","71.511","0.005","435.84","0.19","103","1","103","1","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C20 H25 N O5 -","1","1","OM6213","Deschamps, Jeffrey R.; Coop, Andrew; Parrish, Damon A.; Rice, Kenner C.","7β,14β-Epoxyhydrocodone-6,6-dimethoxy ketal: an unusual oxetane-containing opioid","Acta Crystallographica Section E","2004","60","3","o331","o333","10.1107/S1600536804002077","","","0.71073","MoKα","","0.0321","0.0318","","","0.0832","0.0835","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203433","6.876","0.0008","7.8033","0.0012","16.657","0.003","95.45","0.013","95.962","0.008","103.989","0.009","855.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(1H-Benzotriazole-κN^3^)trichlorocobalt(III)‒1H-benzotriazole‒water (1/1/1)","","- C12 H12 Cl3 Co N6 O -","- C12 H12 Cl3 Co N6 O -","- C24 H24 Cl6 Co2 N12 O2 -","2","2","HB6013","Zhang, Ze-Feng; Li, Li-Xin; Wang, Xiao-Qing; Xie, Cheng-Zhi; Wang, Ru-Ji; Shen, Guang-Qiu","(1<i>H</i>-Benzotriazole-κ<i>N</i>^3^)trichlorocobalt(III)‒1<i>H</i>-benzotriazole‒water (1/1/1)","Acta Crystallographica Section E","2004","60","4","m498","m500","10.1107/S1600536804004982","","","0.71073","MoKα","","0.0325","0.0293","","","0.0619","0.0645","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203471","4.875","0.001","5.306","0.002","10.669","0.003","101.486","0.004","92.884","0.004","90.339","0.004","270.07","0.14","298","2","298","2","","","","","","","","5","P 1","P 1","1","4-Amino-3-(1,2,3,4,5-pentahydroxypentyl)-1,2,4-1H-triazole-5(4H)-thione","4-Amino-3-(1,2,3,4,5-pentahydroxylpentyl)-1,2,4-1H-triazol-5-thione","","- C7 H14 N4 O5 S -","- C7 H14 N4 O5 S -","- C7 H14 N4 O5 S -","1","1","NA6302","Zhang, Li-Xue; Zhang, An-Jiang; Lei, Xin-Xiang; Zou, Kai-Huang; Ng, Seik Weng","4-Amino-3-(1,2,3,4,5-pentahydroxypentyl)-1,2,4-1<i>H</i>-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","4","o613","o615","10.1107/S1600536804005732","","","0.71073","MoKα","","0.0611","0.0465","","","0.0869","0.0949","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203633","6.8037","0.0006","7.7391","0.0008","11.9131","0.0009","84.539","0.008","74.277","0.006","78.323","0.007","590.77","0.09","298","2","","","","","","","","","","4","P 1","P 1","1","","(8aR,SS)-Dimethyl 3,5,6,7,8,8a-hexahydro-4-{[(1S)-exo-2-hydroxy-7,7- dimethylbicyclo[2.2.1]heptan-1-yl]methylsulfinyl}-1,2-naphthalenedicarboxylate","","- C24 H34 O6 S -","- C24 H34 O6 S -","- C24 H34 O6 S -","1","1","NA6310","Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Aversa, Maria Chiara; Barattucci, Anna; Bonaccorsi, Paola; Giannetto, Placido","(8a<i>R</i>,S<i>S</i>)-Dimethyl 3,5,6,7,8,8a-hexahydro-4-{[(1<i>S</i>)-<i>exo</i>-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl]methylsulfinyl}-1,2-naphthalenedicarboxylate","Acta Crystallographica Section E","2004","60","5","o733","o735","10.1107/S1600536804007366","","","0.71073","MoKα","","","0.0424","","","","0.1005","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203937","7.6789","0.0009","10.2222","0.0011","11.3519","0.0013","102.368","0.009","103.812","0.01","101.113","0.009","816.81","0.17","296","1","296","1","","","","","","","","3","P 1","P 1","1","","(E)-(20S,25S)-20,23-Diacetyl-5β-furost-22-ene-3β,26-diyl diacetate","","- C35 H52 O7 -","- C35 H52 O7 -","- C35 H52 O7 -","1","1","OB6376","Meza-Reyes, Socorro; Montiel-Smith, Sara; Sandoval-Ramírez, Jesús; Bernès, Sylvain; Hernández-Linares, Guadalupe; Santillan, Rosa L.; Rincón, Susana","(<i>E</i>)-(20<i>S</i>,25<i>S</i>)-20,23-Diacetyl-5β-furost-22-ene-3β,26-diyl diacetate","Acta Crystallographica Section E","2004","60","7","o1137","o1139","10.1107/S1600536804013443","","","0.71073","MoKα","","0.0444","0.0409","","","0.1116","0.1158","","","","","","0.966","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204055","9.2286","0.0005","11.4896","0.0006","12.0277","0.0007","80.517","0.004","82.803","0.004","73.69","0.004","1203.07","0.12","238","1","238","1","","","","","","","","7","P 1","P 1","1","","bis[(S,S)-1,2-dimethoxy-1,2-bis(1-methyl-1H-benzimidazol-2-yl)ethane]copper(II) bis(tetrafluoroborate) acetonitrile disolvate","","- C44 H50 B2 Cu F8 N10 O4 -","- C44 H50 B2 Cu F8 N10 O4 -","- C44 H50 B2 Cu F8 N10 O4 -","1","1","LH6241","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","A chiral facially coordinated Cu^II^ complex derived from a tridentate bis(benzimidazole) ligand: bis[(<i>S,S</i>)-1,2-dimethoxy-1,2-bis(1-methylbenzimidazol-2-yl)ethane]copper(II) bis(tetrafluoroborate) acetonitrile disolvate","Acta Crystallographica Section E","2004","60","8","m1147","m1150","10.1107/S1600536804017295","","","0.71073","MoKα","","0.0656","0.0513","","","0.1279","0.1488","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204154","5.3712","0.0018","7.637","0.003","8.46","0.003","72.025","0.005","73.872","0.005","81.144","0.005","316.2","0.2","291","2","291","2","","","","","","","","4","P 1","P 1","1","(R)-histidinium (2R, 3R)-tartrate","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","1","1","CV6349","Johnson, M. N.; Feeder, N.","(<i>R</i>)-Histidinium (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2004","60","9","o1476","o1477","10.1107/S160053680401863X","","","0.71073","MoKα","","0.0303","0.0299","","","0.0757","0.0762","","","","","","1.074","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204534","7.3854","0.0015","11.432","0.002","13.625","0.003","92.88","0.03","98.04","0.03","97.18","0.03","1127.4","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","catena-poly[[[tetraaquacobalt(II)]-μ-4,4-bipyridine-κ^2^N:N'] 2-carboxylatocinnamate dihydrate]","","- C20 H26 Co N2 O10 -","- C20 H26 Co N2 O10 -","- C40 H52 Co2 N4 O20 -","2","2","LH6283","Li, Feng; Wang, Yanqi; Bi, Wenhua; Li, Xing; Cao, Rong","A new supramolecular framework through hydrogen bonds in <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 2-carboxylatocinnamate dihydrate]","Acta Crystallographica Section E","2004","60","11","m1681","m1683","10.1107/S1600536804026054","","","0.71073","MoKα","","0.0228","0.0215","","","0.0452","0.0455","","","","","","0.929","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205003","8.16","0.005","8.451","0.005","11.629","0.005","97.921","0.005","108.234","0.005","110.548","0.005","685","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","4-(2,6-dimethylphenoxy)phthalonitrile","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","2","BT6581","Büyükgüngör, Orhan; Kos̨ar, Bas̨ak; Akdemir, Nesuhi; Ağar, Erbil; Gümrükçüoğlu, Ismail","4-(2,6-Dimethylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","2","o335","o336","10.1107/S1600536805001078","","","0.71069","MoKα","","0.042","0.0388","","","0.1102","0.1128","","","","","","1.027","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205593","7.6386","0.0009","8.259","0.002","15.761","0.0012","84.415","0.012","89.48","0.008","74.529","0.019","953.6","0.3","292","2","292","2","","","","","","","","3","P 1","P 1","1","","17-Oxo-5β-hydroxyandrostan-3β-yl acetate","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","2","SJ6059","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","17-Oxo-5β-hydroxyandrostan-3β-yl acetate","Acta Crystallographica Section E","2005","61","4","o1144","o1146","10.1107/S1600536805008895","","","1.5418","CuKα","","0.0358","0.0324","","","0.0882","0.092","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205708","5.838","0.002","9.883","0.004","10.576","0.004","107.225","0.014","100.203","0.014","98.894","0.014","559.5","0.4","105","2","105","2","","","","","","","","4","P 1","P 1","1","α-thymidine","1-(2-Deoxy-α-D-ribofuranosyl)-5-methyluracil","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C20 H28 N4 O10 -","2","2","FL6154","Görbitz, Carl Henrik; Nelson, William H.; Sagstuen, Einar","α-Thymidine at 105 K","Acta Crystallographica Section E","2005","61","5","o1207","o1209","10.1107/S1600536805009700","","","0.71073","MoKα","","0.034","0.0322","","","0.085","0.0861","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205871","7.147","0.0005","11.854","0.0008","15.456","0.001","106.45","0.02","95.17","0.01","91.02","0.02","1249.4","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-Leucine L-leucinium picrate","L-Leucine L-leucinium picrate","","- C18 H29 N5 O11 -","- C18 H29 N5 O11 -","- C36 H58 N10 O22 -","2","2","BT6660","K. Anitha; S. Athimoolam; R. K. Rajaram","<small>L</small>-Leucine <small>L</small>-leucinium picrate","Acta Crystallographica Section E","2005","61","6","o1604","o1606","10.1107/S1600536805014030","","","0.71073","MoKα","","0.0719","0.0507","","","0.1353","0.1495","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206130","5.357","0.002","8.232","0.003","10.172","0.004","96.88","0.03","104.47","0.03","102.11","0.03","417.6","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-Asparaginium Nitrate","L-Asparaginium nitrate","","- C4 H9 N3 O6 -","- C4 H9 N3 O6 -","- C8 H18 N6 O12 -","2","2","BT6674","A. Aarthy; K. Anitha; S. Athimoolam; S. Asath Bahadur; R.K. Rajaram","<small>L</small>-Asparaginium nitrate","Acta Crystallographica Section E","2005","61","7","o2042","o2044","10.1107/S1600536805017496","","","0.71073","MoKα","","0.0638","0.0577","","","0.1678","0.1891","","","","","","1.134","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206671","6.0091","0.0007","6.4829","0.0008","12.203","0.0015","81.136","0.01","80.67","0.01","69.04","0.01","435.67","0.1","296","1","296","1","","","","","","","","4","P 1","P 1","1","","(-)-1-Benzyl-4-[1(S)-phenylethylamino]-5,6-dihydropyridin-2(1H)-one","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C20 H22 N2 O -","1","1","CV6556","Romero, Nancy; Terán, Joel L.; Gnecco, Dino; Bernès, Sylvain","(‒)-1-Benzyl-4-[1(<i>S</i>)-phenylethylamino]-5,6-dihydropyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","9","o2924","o2926","10.1107/S160053680502413X","","","0.71073","MoKα","","0.043","0.0338","","","0.0837","0.0895","","","","","","1.014","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207148","6.1397","0.0005","7.6596","0.0007","11.1439","0.001","72.484","0.001","89.979","0.001","85.553","0.002","498.12","0.08","273","2","273","2","","","","","","","","5","P 1","P 1","1","","N,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran- 3-carboxamide","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","1","1","BT6753","G. Y. S. K. Swamy; K. Ravikumar; L. K. Wadhwa; Rahul Saxena; Saranjit Singh","(2<i>R</i>*,3<i>R</i>*,6<i>S</i>*)-<i>N</i>,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3-carboxamide","Acta Crystallographica Section E","2005","61","11","o3608","o3610","10.1107/S1600536805031818","","","0.71073","MoKα","","0.0489","0.0444","","","0.0984","0.101","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207905","5.1724","0.0006","8.8183","0.0012","12.481","0.003","96.193","0.017","99.853","0.013","102.106","0.013","542.27","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","L-Histidinium trifluoroacetate","L-Histidinium trifluoroacetate","","- C8 H10 F3 N3 O4 -","- C8 H10 F3 N3 O4 -","- C16 H20 F6 N6 O8 -","2","2","SU6250","Srinivasan Gokul Raj; Gubendiran Ramesh Kumar; Rajagopal Mohan; Ramasamy Jayavel","<small>L</small>-Histidinium trifluoroacetate","Acta Crystallographica Section E","2006","62","1","o5","o7","10.1107/S1600536805038791","","","1.5418","CuKα","","0.0386","0.0384","","","0.1074","0.1076","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207915","6.3179","0.0017","8.0901","0.0016","10.88","0.002","73.8","0.2","100.311","0.019","109.285","0.016","501.7","0.5","295","2","295","2","","","","","","","","3","P 1","P 1","1","","Ethyl 3β-hydroxypregna-5,17(20)-dien-21-oate","","- C23 H34 O3 -","- C23 H34 O3 -","- C23 H34 O3 -","1","1","TK6295","Sabina Quader; Sue E. Boyd; Todd A Houston; Ian D. Jenkins; Peter C. Healy","Ethyl 3β-hydroxypregna-5,17(20)-dien-21-oate","Acta Crystallographica Section E","2006","62","1","o162","o164","10.1107/S1600536805040912","","","0.7107","MoKα","","0.053","0.041","","","0.103","0.111","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209002","9.1755","0.0001","15.4193","0.0002","15.5475","0.0002","77.2624","0.0005","82.027","0.0005","78.256","0.0007","2090.45","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","cyclo{[(6-amino-6-deoxy-2,3:4,5-di-O-isopropylidene-D-galactonic acid)-(D-Phe)]~2~-}","9,25-Dibenzyl-4,4,15,15,20,20,31,31-octamethyl-3,5,14,16,19,21,30,32- octaoxa-8,11,24,27- tetraazapentacyclo[27.3.0.0^2,6^.0^13,17^.0^18,22^]dotriacontane- 7,10,23,26-tetrone","","- C42 H56 N4 O12 -","- C42 H56 N4 O12 -","- C84 H112 N8 O24 -","2","2","SJ2038","Bream, Richard; Watkin, David; Soengas, Raquel; Fleet, George W.J.; Edwards, Alison A.; Hunter, Stuart J.; George E. Tranter","<i>cyclo</i>{[(6-Amino-6-deoxy-2,3:4,5-di-<i>O</i>-isopropylidene-<small>D</small>-galactonic acid)-(<small>D</small>-Phe)]~2~}","Acta Crystallographica Section E","2006","62","5","o1851","o1853","10.1107/S1600536806012487","","","0.71073","MoKα","","0.0479","0.0479","","0.0892","0.0892","0.0892","","","","","","0.9968","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209151","8.375","0.008","10.826","0.011","15.321","0.014","70.8","0.04","75.25","0.05","79.05","0.05","1260","2","118","2","118","2","","","","","","","","3","P 1","P 1","1","Mellein","(R)-(-)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one","","- C10 H10 O3 -","- C10 H10 O3 -","- C60 H60 O18 -","6","6","DN2030","Efdi, Mai; Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","(<i>R</i>)-(‒)-8-Hydroxy-3-methyl-3,4-dihydro-1<i>H</i>-2-benzopyran-1-one","Acta Crystallographica Section E","2006","62","6","o2135","o2137","10.1107/S1600536806015418","","","0.71073","MoKα","","0.1203","0.098","","","0.1932","0.2105","","","","","","1.113","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209584","6.544","0.001","7.819","0.002","11.308","0.002","88.67","0.02","77.03","0.01","83.85","0.02","560.6","0.2","292","2","292","2","","","","","","","","5","P 1","P 1","1","Cichonidinium bis(perchlorate)","[(S)-quinolinium-4-yl][(2R,4R,8S)-8-vinylquinuclidinium-2-yl]methanol bis(perchlorate)","","- C19 H24 Cl2 N2 O9 -","- C19 H24 Cl2 N2 O9 -","- C19 H24 Cl2 N2 O9 -","1","1","LH2060","Zhi-Min Jin; Hui-Min Zhang; Bing Tu; Zhi-Yong Wu; Mao-Lin Hu","Cinchonidinium bis(perchlorate)","Acta Crystallographica Section E","2006","62","7","o2614","o2616","10.1107/S1600536806016692","","","0.71073","MoKα","","0.0486","0.0426","","","0.1172","0.1209","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210006","6.565","0.003","9.599","0.004","12.748","0.005","85.25","0.03","84.08","0.03","82.71","0.03","790.6","0.6","291","2","291","2","","","","","","","","5","P 1","P 1","1","","Cinchonidinium bis(4-methylbenzenesulfonate) monohydrate","","- C33 H40 N2 O8 S2 -","- C33 H40 N2 O8 S2 -","- C33 H40 N2 O8 S2 -","1","1","SG2048","Hui-Min Zhang; Bing Tu; Zhi-Min Jin; Zhi-Yong Wu; Mao-Lin Hu","Cinchonidinium bis(4-methylbenzenesulfonate) monohydrate","Acta Crystallographica Section E","2006","62","8","o3398","o3400","10.1107/S160053680602650X","","","0.71073","MoKα","","0.0495","0.0423","","","0.1098","0.1128","","","","","","1.049","","","","has coordinates,has Fobs","202023","2020-10-21","18:00:00",""
"2210395","6.2645","0.0006","8.2382","0.0008","9.1458","0.0008","68.743","0.002","88.273","0.001","87.467","0.001","439.4","0.07","153","0.1","297","2","","","","","","","","6","P 1","P 1","1","","2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 0.59-chloride 0.41-iodide monohydrate","","- C19 H20 Cl0.59 I0.41 N O3 -","- C19 H20 Cl0.588 I0.412 N O3 -","- C19 H20 Cl0.588 I0.412 N O3 -","1","1","TK2070","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun","2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 0.59-chloride 0.41-iodide monohydrate","Acta Crystallographica Section E","2006","62","9","o4004","o4006","10.1107/S1600536806032569","","","0.71073","MoKα","","0.05","0.048","","","0.122","0.125","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210659","6.245","0.003","7.106","0.004","15.858","0.008","77.993","0.009","87.575","0.01","67.574","0.008","635.7","0.6","294","2","294","2","","","","","","","","4","P 1","P 1","1","Cyclovirobuxine A","3α,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclo-5α-pregnan-16-ol","","- C28 H50 N2 O -","- C28 H50 N2 O -","- C28 H50 N2 O -","1","1","HK2124","Hai-Feng Liu; Li-Na Huang; Min Ji","3α,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclo-5α-pregnan-16-ol","Acta Crystallographica Section E","2006","62","10","o4517","o4518","10.1107/S1600536806037251","","","0.71073","MoKα","","0.1363","0.0537","","","0.0782","0.0954","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210795","9.8466","0.0011","10.2147","0.001","10.8492","0.0012","84.224","0.002","80.232","0.002","82.956","0.002","1063.7","0.2","93","2","93","2","","","","","","","","5","P 1","P 1","1","15-(4-Chlorobenzylamino)-2-methoxypodocarpa-8,11,13-trien-15-one","N-(4-chlorobenzyl)-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a- octahydrophenanthrene-1-carboxamide","","- C25 H30 Cl N O2 -","- C25 H30 Cl N O2 -","- C50 H60 Cl2 N2 O4 -","2","2","TK2059","John, Nicole; Butcher, Raymond J.; Bakare, Oladapo","15-(4-Chlorobenzylamino)-2-methoxypodocarpa-8,11,13-trien-15-one","Acta Crystallographica Section E","2006","62","10","o4361","o4363","10.1107/S1600536806034283","","","0.71073","MoKα","","0.036","0.034","","","0.089","0.09","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210992","6.328","0.001","10.558","0.002","17.553","0.004","74.57","0.02","81.76","0.02","79.03","0.02","1104.5","0.4","288","2","288","2","","","","","","","","3","P 1","P 1","1","","11α,12β-acetonyltenacigenin B 3-O-6-deoxy -3-O-methyl-β-D-allopyranosyl-(1\ρightarrow4)-β-D-oleandropyranoside acetone solvate","","- C41 H66 O13 -","- C41 H66 O13 -","- C41 H66 O13 -","1","1","FL2058","Qi-Fa Li; Xiao-Ling Wang; Kai-Bei Yu; Shu-Lin Peng; Li-Sheng Ding","11α,12β-Acetonyltenacissoside F acetone solvate: a new polyoxypregnane glycoside from the stems of <i>Marsdenia tenacissima</i>","Acta Crystallographica Section E","2006","62","11","o5255","o5256","10.1107/S1600536806042048","","","0.71073","MoKα","","0.0559","0.0412","","","0.0976","0.1026","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211216","7.8231","0.0011","9.0594","0.0013","9.204","0.0013","119.287","0.002","105.764","0.002","98.734","0.002","515.07","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","(S)-1,4,7-Tris(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane","","- C17 H38 N4 O3 -","- C17 H38 N4 O3 -","- C17 H38 N4 O3 -","1","1","TK2085","Robert C. Luckay","(<i>S</i>)-1,4,7-Tris(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane","Acta Crystallographica Section E","2006","62","11","o5158","o5160","10.1107/S1600536806043030","","","0.71073","MoKα","","0.042","0.04","","","0.086","0.087","","","","","","0.99","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211500","6.6054","0.0002","7.2228","0.0002","14.5495","0.0003","90.085","0.002","96.287","0.002","114.225","0.002","628.39","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","(+)-14bα-3-Oxoglycyrrhetinic acid","(+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,12aβ-heptamethyl- 1,2,3,4,4a,5,6,6a,6 b,7,8,8aα,9,10,11,12,12a,12bα,13,14bα- eicosahydropicene-2β-carboxylic acid","","- C30 H44 O4 -","- C30 H44 O4 -","- C30 H44 O4 -","1","1","LH2223","Thompson, Hugh W.; Lalancette, Roger A.; Kikolski, Elizabeth M.","(+)-14bα-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid","Acta Crystallographica Section E","2006","62","12","o5482","o5484","10.1107/S1600536806045788","","","1.54178","CuKα","","0.056","0.046","","","0.106","0.113","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211763","7.7463","0.0002","10.3041","0.0002","11.7022","0.0002","74.585","0.008","78.996","0.008","74.596","0.008","860.81","0.05","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Aqua(2,2'-bipyridine-κ^2^N,N')(L-cysteato-κ^2^N,O)copper(II) dihydrate","","- C13 H19 Cu N3 O8 S -","- C13 H19 Cu N3 O8 S -","- C26 H38 Cu2 N6 O16 S2 -","2","2","CI2232","Li, Hai-Ye; Huang, Fu-Ping; Jiang, Yi-Min; Ng, Seik Weng","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(<small>L</small>-cysteato-κ^2^<i>N</i>,<i>O</i>)copper(II) dihydrate","Acta Crystallographica Section E","2007","63","1","m219","m220","10.1107/S1600536806053529","","","0.71073","MoKα","","0.03","0.028","","","0.076","0.078","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212497","10.508","0.003","11.713","0.003","12.25","0.002","92.424","0.019","92.08","0.02","100","0.03","1482","0.6","29","","296","","","","","","","","","5","P 1","P 1","1","","4,6-Diphenyl-1-(phenylsulfonyl)-1H-furo[3,4-b]pyrrole","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C72 H51 N3 O9 S3 -","3","3","BV2045","Moskalev, Nikolai V.; Gribble, Gordon W.; Jasinski, Jerry P.","4,6-Diphenyl-1-(phenylsulfonyl)-1<i>H</i>-furo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2007","63","3","o1279","o1281","10.1107/S1600536807005764","","","0.71069","MoKα","","0.2108","0.0429","","","0.0998","0.151","","","","","","0.993","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212820","6.3422","0.0003","7.3709","0.0004","29.5443","0.0016","90.843","0.002","91.334","0.002","115.372","0.002","1247.11","0.11","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","A cocrystal of Friedelan-3β-ol and Friedelin","Friedelan-3β-ol‒friedelin co-crystal (0.75/0.25)","","- C30 H51.5 O -","- C30 H51.5 O -","- C60 H103 O2 -","2","2","CI2308","Hoong-Kun Fun; Nawong Boonnak; Suchada Chantrapromma","A cocrystal of friedelan-3β-ol and friedelin (0.75/0.25)","Acta Crystallographica Section E","2007","63","4","o2014","o2016","10.1107/S1600536807013979","","","0.71073","MoKα","","0.056","0.0527","","","0.1385","0.1446","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2213031","11.344","0.004","13.152","0.009","20.863","0.008","77.99","0.07","81.52","0.04","64.67","0.06","2746","3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Methyl 3,4,6-tri-O-acetyl-2-deoxy-2-azido-α-D-galactopyranosyl- (1\ρightarrow2)-[3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-β-D- glucopyranosyl-(1\ρightarrow3)]-4-O-benzoyl-α-L- rhamnopyranoside n-hexane 0.1-solvate","","- C51.6 H57.4 N4 O21 -","- C51.6 H57.4 N4 O21 -","- C103.2 H114.8 N8 O42 -","2","2","SU2003","Färnbäck, Magnus; Söderman, Peter; Eriksson, Lars; Widmalm, Göran","Methyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-azido-α-<small>D</small>-galactopyranosyl-(1\ρightarrow 2)-[3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 3)]-4-<i>O</i>-benzoyl-α-<small>L</small>-rhamnopyranoside <i>n</i>-hexane 0.1-solvate","Acta Crystallographica Section E","2007","63","4","o1581","o1583","10.1107/S1600536807009348","","","0.7107","MoKα","","0.113","0.067","","","0.1669","0.1867","","","","","","0.858","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213218","6.2412","0.0001","8.2854","0.0002","9.1961","0.0002","68.134","0.001","89.424","0.001","87.72","0.001","440.971","0.016","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium iodide monohydrate","","- C19 H20 I N O3 -","- C19 H20 I N O3 -","- C19 H20 I N O3 -","1","1","CI2334","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun; P. S. Patil","2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium iodide monohydrate","Acta Crystallographica Section E","2007","63","5","o2321","o2323","10.1107/S1600536807016078","","","0.71073","MoKα","","0.0148","0.0148","","","0.0374","0.0374","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213757","5.271","0.0001","8.0481","0.0002","9.7942","0.0002","106.155","0.001","97.265","0.001","101.649","0.002","383.422","0.015","293","2","293","2","","","","","","","","4","P 1","P 1","1","","L-Argininium(+) maleate(-) dihydrate","","- C10 H22 N4 O8 -","- C10 H22 N4 O8 -","- C10 H22 N4 O8 -","1","1","ER2026","Sun, Zhi-Hua; Yu, Wen-Tao; Fan, Jian-Dong; Xu, Dong; Wang, Xin-Qiang","<small>L</small>-Argininium(+) maleate({-}) dihydrate","Acta Crystallographica Section E","2007","63","6","o2805","o2807","10.1107/S1600536807020612","","","0.71073","MoKα","","0.0314","0.0303","","","0.0693","0.07","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213783","7.885","0.002","8.542","0.002","15.629","0.004","99.103","0.004","90.958","0.004","90.271","0.004","1039.2","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","1,3,4,6-Tetra-O-acetyl-2-(trifluoromethylsulfonyl)-β-D-mannopyranose","","- C15 H19 F3 O12 S -","- C15 H19 F3 O12 S -","- C30 H38 F6 O24 S2 -","2","2","HB2374","Zhu, Hong-Yuan; Jiang, Shen-De","1,3,4,6-Tetra-<i>O</i>-acetyl-2-(trifluoromethylsulfonyl)-β-<small>D</small>-mannopyranose","Acta Crystallographica Section E","2007","63","6","o2833","o2833","10.1107/S1600536807019770","","","0.71073","MoKα","","0.0564","0.0407","","","0.0929","0.1023","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213906","8.3158","0.0001","9.2087","0.0001","16.2114","0.0001","89.7346","0.0005","88.7088","0.0004","83.6367","0.0005","1233.47","0.02","100","2","100","2","","","","","","","","7","P 1","P 1","1","","Bis[4'-(3,5-dibromophenyl)-2,2':6',2''-terpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate","","- C46 H32 Br4 F12 N8 P2 Ru -","- C46 H32 Br4 F12 N8 P2 Ru -","- C46 H32 Br4 F12 N8 P2 Ru -","1","1","NC2035","Chartrand, Daniel; Theobald, Isabelle; Hanan, Garry S.","Bis[4'-(3,5-dibromophenyl)-2,2':6',2''-terpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2007","63","6","m1561","m1561","10.1107/S1600536807020259","","","1.54178","CuKα","","0.0251","0.0249","","","0.0622","0.0623","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213956","6.1326","0.0006","7.3174","0.0007","9.8781","0.001","93.817","0.002","104.335","0.002","114.408","0.001","383.86","0.07","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(<i>S</i>)-2-(Pyrrolidinium-2-ylmethyl)isoquinolinium dibromide","","- C14 H18 Br2 N2 -","- C14 H18 Br2 N2 -","- C14 H18 Br2 N2 -","1","1","SG2162","Bing-Tao Wang; Shu-Ping Luo; Hua-Dong Yue; Li-Ping Wang; Dan-Qian Xu","(<i>S</i>)-2-(Pyrrolidinium-2-ylmethyl)isoquinolinium dibromide","Acta Crystallographica Section E","2007","63","6","o2786","o2786","10.1107/S1600536807020594","","","0.71073","MoKα","","0.0246","0.0233","","","0.0513","0.0517","","","","","","0.962","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214083","7.1025","0.0012","9.984","0.0016","15.552","0.003","100.521","0.002","99.211","0.002","110.47","0.002","985.3","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","3β-Acetoxy-5α-chloro-6β-hydroxyandrostan-17-one","","- C21 H31 Cl O4 -","- C21 H31 Cl O4 -","- C42 H62 Cl2 O8 -","2","2","BT2381","Chun-Nian Xia; Bi-Wen Li; Wei-xiao Hu; Wei Zhou","3β-Acetoxy-5α-chloro-6β-hydroxyandrostan-17-one","Acta Crystallographica Section E","2007","63","7","o3107","o3107","10.1107/S1600536807026803","","","0.71073","MoKα","","0.0381","0.0325","","","0.0811","0.0903","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214204","5.5806","0.0003","6.0026","0.0004","9.7951","0.0006","98.823","0.003","97.302","0.004","116.858","0.003","281.99","0.03","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Bis[(<i>R</i>)-lactamido-κ^2^<i>O</i>,<i>O</i>']boron(III) bromide","","- C6 H12 B Br N2 O4 -","- C6 H12 B Br N2 O4 -","- C6 H12 B Br N2 O4 -","1","1","GW2009","Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard","Bis[(<i>R</i>)-lactamido-κ^2^<i>O</i>,<i>O</i>']boron(III) bromide","Acta Crystallographica Section E","2007","63","7","o3187","o3189","10.1107/S1600536807027158","","","0.71073","MoKα","","0.0323","0.0321","","","0.0835","0.0837","","","","","","1.036","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214303","6.0322","0.0009","6.8532","0.001","7.382","0.0011","105.604","0.003","95.8","0.003","106.802","0.003","276.03","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","N,N-Dimethyl O-p-tolyl phosphoramidocyanidate","","- C10 H13 N2 O2 P -","- C10 H13 N2 O2 P -","- C10 H13 N2 O2 P -","1","1","LH2406","Saied Ghadimi; Ali Asghar Ebrahimi Valmoozi; Mehrdad Pourayoubi","<i>N</i>,<i>N</i>-Dimethyl <i>O</i>-<i>p</i>-tolyl phosphoramidocyanidate","Acta Crystallographica Section E","2007","63","7","o3260","o3260","10.1107/S1600536807028838","","","0.71073","MoKα","","0.0356","0.0338","","","0.0823","0.0836","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215027","7.2044","0.0001","11.2959","0.0001","13.6932","0.0002","70.872","0.001","76.436","0.001","74.589","0.001","1001.59","0.02","295","2","295","2","","","","","","","","4","P 1","P 1","1","","<i>catena</i>-Poly[hexaaquazinc(II) bis[[triaquazincate(II)]-μ-(5-carboxylato-<i>m</i>-phenylenedioxy)diacetato- κ^2^<i>O</i>^1^:<i>O</i>^5^] heptahydrate]","","- C22 H52 O35 Zn3 -","- C22 H52 O35 Zn3 -","- C22 H52 O35 Zn3 -","1","1","BT2477","Wen, Yi-Hang; Ng, Seik Weng","<i>catena</i>-Poly[hexaaquazinc(II) bis[[triaquazincate(II)]-μ-(5-carboxylato-<i>m</i>-phenylenedioxy)diacetato-κ^2^<i>O</i>^1^:<i>O</i>^5^] heptahydrate]","Acta Crystallographica Section E","2007","63","9","m2378","m2379","10.1107/S1600536807040093","","","0.71073","MoKα","","0.0316","0.03","","","0.0809","0.0821","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215041","6.595","0.001","9.688","0.001","16.301","0.001","72.72","0.01","89.68","0.01","83.82","0.01","988.3","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","2-N,5'-O-Diacetyl-2',3'-O-isopropylideneguanosine monohydrate","","- C17 H23 N5 O8 -","- C17 H23 N5 O8 -","- C34 H46 N10 O16 -","2","2","CF2128","Meier, Lidiane; Sá, Marcus M.; Bortoluzzi, Adailton J.","2-<i>N</i>,5'-Di-<i>O</i>-acetyl-2',3'-<i>O</i>-isopropylideneguanosine monohydrate","Acta Crystallographica Section E","2007","63","9","o3751","o3752","10.1107/S1600536807038330","","","0.71069","MoKα","","0.0913","0.0501","","","0.13","0.1479","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215524","4.6684","0.0007","7.0328","0.0011","12.842","0.002","93.802","0.013","97.688","0.013","98.28","0.012","411.9","0.11","173","2","173","2","","","","","","","","5","P 1","P 1","1","","5-Bromo-3-(methylaminocarbonyl)pyridinium picrate","","- C13 H10 Br N5 O8 -","- C13 H10 Br N5 O8 -","- C13 H10 Br N5 O8 -","1","1","HB2557","Sarojini, B. K.; Narayana, B.; Swamy, M. T.; Yathirajan, H. S.; Bolte, Michael","5-Bromo-3-(methylaminocarbonyl)pyridinium picrate","Acta Crystallographica Section E","2007","63","10","o4181","o4181","10.1107/S1600536807046934","","","0.71073","MoKα","","0.1043","0.1031","","","0.2604","0.2629","","","","","","1.153","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215635","4.7125","0.0012","8.032","0.002","9.997","0.003","80.49","0.015","81.977","0.015","77.324","0.014","361.99","0.17","193","2","193","2","","","","","","","","4","P 1","P 1","1","","2-(2-Hydroxyethyl)-6-[(2-hydroxyethyl)amino]-5-nitro- 1H-benzo[de]isoquinoline-1,3(2H)-dione","","- C16 H15 N3 O6 -","- C16 H15 N3 O6 -","- C16 H15 N3 O6 -","1","1","PV2026","Wen Qin; Ye Zhang; Heng-Shan Wang; Yong Zhang","2-(2-Hydroxyethyl)-6-[(2-hydroxyethyl)amino]-5-nitro-1<i>H</i>-benzo[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","10","o3995","o3995","10.1107/S160053680704295X","","","0.7107","MoKα","","0.049","0.038","","","0.0796","0.0859","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215765","6.5499","0.0002","6.6563","0.0002","18.854","0.0007","92.253","0.003","95.026","0.003","114.841","0.002","740.44","0.04","150","2","150","2","","","","","","","","6","P 1","P 1","1","","Chlorido(η^4^-cycloocta-1,5-diene)[(<i>S</i>)-2-(methoxymethyl)pyrrolidine- κN]rhodium(I)","","- C14 H25 Cl N O Rh -","- C14 H25 Cl N O Rh -","- C28 H50 Cl2 N2 O2 Rh2 -","2","2","BG3061","Dahlenburg, Lutz; Treffert, Harald; Heinemann, Frank W.","Chlorido(η^4^-cycloocta-1,5-diene)[(<i>S</i>)-2-(methoxymethyl)pyrrolidine-κ<i>N</i>]rhodium(I)","Acta Crystallographica Section E","2007","63","11","m2855","m2855","10.1107/S1600536807052920","","","0.71073","MoKα","","0.0174","0.016","","","0.035","0.0353","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215942","8.0793","0.001","8.57","0.0011","10.3148","0.0013","88.39","0.002","85.615","0.002","70.393","0.002","670.81","0.15","293","2","292","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>-(4-Bromobenzylidene)-4-ethoxyaniline","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C30 H28 Br2 N2 O2 -","2","2","HB2572","Ma, Rui; Ma, Rongming; Hou, Yubang; Yong, Xuejian; Bao, Feng","<i>N</i>-(4-Bromobenzylidene)-4-ethoxyaniline","Acta Crystallographica Section E","2007","63","11","o4310","o4310","10.1107/S1600536807049094","","","0.71073","MoKα","","0.0999","0.0593","","","0.168","0.2218","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216636","5.7521","0.0001","9.0344","0.0002","20.7349","0.0003","95.138","0.0011","96.3386","0.0012","108.464","0.0006","1006.91","0.03","150","","150","","","","","","","","","4","P 1","P 1","1","","Isopropyl 6-amino-2,5-anhydro-6-N-(2,5-anhydro-6-azido-3,6-dideoxy-L-<i>lyxo</i>- hexonyl)-3,6-dideoxy-L-<i>lyxo</i>-hexonate 2.5-hydrate","","- C15 H29 N4 O9.5 -","- C15 H29 N4 O9.5 -","- C30 H58 N8 O19 -","2","2","LH2559","Le Pevelen, Delphine D.; Edwards, Alison A.; Tranter, George E.; Watkin, David J.; Fleet, George W.J.","Isopropyl 6-amino-2,5-anhydro-6-<i>N</i>-(2,5-anhydro-6-azido-3,6-dideoxy-<small>L</small>-<i>lyxo</i>-hexonyl)-3,6-dideoxy-<small>L</small>-<i>lyxo</i>-hexonate 2.5-hydrate","Acta Crystallographica Section E","2007","63","12","o4719","o4720","10.1107/S1600536807056905","","","0.71073","MoKα","","0.0492","0.0411","","0.105","0.0998","0.105","","","","","","0.9767","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216708","10.4185","0.0014","10.9689","0.0014","14.3844","0.0019","70.599","0.002","81.174","0.002","63.298","0.002","1385.1","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","Tris(1,10-phenanthrolinium) tris(pyridine-2,6-dicarboxylato)yttriumate dimethyl sulfoxide pentahydrate","","- C59 H52 N9 O18 S Y -","- C59 H52 N9 O18 S Y -","- C59 H52 N9 O18 S Y -","1","1","OM2178","Soleimannejad, Janet; Aghabozorg, Hossein; Nakhjavan, Bahar; Attar Gharamaleki, Jafar; Ramezanipour, Farshid","Tris(1,10-phenanthrolinium) tris(pyridine-2,6-dicarboxylato)yttriate(III) dimethyl sulfoxide solvate pentahydrate","Acta Crystallographica Section E","2007","63","12","m3170","m3171","10.1107/S1600536807060047","","","0.71073","MoKα","","0.0848","0.0544","","","0.1142","0.1309","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216834","7.3646","0.0007","8.1772","0.0008","13.329","0.001","97.905","0.002","100.352","0.002","109.296","0.002","728.32","0.11","295","2","295","2","","","","","","","","4","P 1","P 1","1","","(R*)-(-)-3-[4-(Benzyloxy)benzoylmethyl] 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C32 H30 N2 O8 -","- C32 H30 N2 O8 -","- C32 H30 N2 O8 -","1","1","XU2347","Wu, Xiao-Yun; Hu, Ai-Xi; Cao, Gao","(<i>R</i>*)-({-})-3-[4-(Benzyloxy)benzoylmethyl] 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2007","63","12","o4578","o4578","10.1107/S1600536807054785","","","0.71073","MoKα","","0.0903","0.0454","","","0.1099","0.1435","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217085","6.876","0.0008","7.8033","0.0012","16.657","0.003","95.45","0.013","95.962","0.008","103.989","0.009","855.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","1<i>H</i>-Benzotriazol-3-ium (1<i>H</i>-benzotriazole-κ<i>N</i>^3^)trichloridocobalt(II) monohydrate","","- C12 H13 Cl3 Co N6 O -","- C12 H13 Cl3 Co N6 O -","- C24 H26 Cl6 Co2 N12 O2 -","2","2","HB2664","Sieroń, Lesław","1<i>H</i>-Benzotriazol-3-ium (1<i>H</i>-benzotriazole-κ<i>N</i>^3^)trichloridocobaltate(II) monohydrate: a reformulation","Acta Crystallographica Section E","2008","64","1","m58","m58","10.1107/S1600536807063131","","","0.71073","MoKα","","0.0321","0.0288","","","0.0735","0.0784","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217282","6.1642","0.0007","11.2018","0.0016","11.6915","0.0014","115.936","0.014","100.621","0.01","95.362","0.011","699.58","0.19","293","","293","","","","","","","","","4","P 1","P 1","1","N-Boc-α-isobutyl-D-serine-β-lactone","tert-Butyl <i>N</i>-[(<i>S</i>)-3-isobutyl-2-oxooxetan-3-yl]carbamate","","- C12 H21 N O4 -","- C12 H21 N O4 -","- C24 H42 N2 O8 -","2","2","SG2209","Sieroń, Lesław; Kudaj, Adam; Olma, Aleksandra; Karolak-Wojciechowska, Janina","<i>tert</i>-Butyl <i>N</i>-[(<i>S</i>)-3-isobutyl-2-oxooxetan-3-yl]carbamate","Acta Crystallographica Section E","2008","64","1","o207","o207","10.1107/S1600536807063866","","","0.71073","MoKα","","0.1078","0.046","","","0.0961","0.118","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217301","4.4941","0.0013","6.4512","0.0018","10.123","0.003","81.273","0.003","87.06","0.003","86.247","0.003","289.21","0.14","298","2","298","2","","","","","","","","4","P 1","P 1","1","","pyridine-2,4-dicarboxylic acid‒serine (1/1)","","- C10 H12 N2 O7 -","- C10 H12 N2 O7 -","- C10 H12 N2 O7 -","1","1","SJ2422","Peng Liang","A cocrystal of pyridine-2,4-dicarboxylic acid and serine","Acta Crystallographica Section E","2008","64","1","o43","o43","10.1107/S160053680706240X","","","0.71073","MoKα","","0.0386","0.0361","","","0.0874","0.0895","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217312","5.6931","0.0008","9.9132","0.0015","15.5048","0.0011","81.344","0.002","80.635","0.002","73.986","0.002","824.71","0.18","159","2","159","2","","","","","","","","4","P 1","P 1","1","","2,3,4-Triacetoxy-1-[5-(1,2,3,4-tetraacetoxybutyl)pyrazin-2-yl]butyl acetate","","- C28 H36 N2 O16 -","- C28 H36 N2 O16 -","- C28 H36 N2 O16 -","1","1","SJ2446","Gainsford, Graeme J.; Benjes, Paul A.","2,3,4-Triacetoxy-1-[5-(1,2,3,4-tetraacetoxybutyl)pyrazin-2-yl]butyl acetate","Acta Crystallographica Section E","2008","64","1","o50","o50","10.1107/S1600536807062344","","","0.71073","MoKα","","0.053","0.0451","","","0.0999","0.1034","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217601","8.9675","0.0014","9.6545","0.0016","13.9421","0.0015","91.533","0.005","100.384","0.004","105.393","0.008","1141.2","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(4,4'-bipyridine- κ<i>N</i>)(L-valinato-κ^2^<i>N</i>,<i>O</i>)copper(II)] dinitrate dihydrate","","- C40 H52 Cu2 N10 O14 -","- C40 H52 Cu2 N10 O14 -","- C40 H52 Cu2 N10 O14 -","1","1","NG2423","Lou, Ben-Yong; Hong, Mao-Chun","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(4,4'-bipyridine-κ<i>N</i>)(<small>L</small>-valinato-κ^2^<i>N</i>,<i>O</i>)copper(II)] dinitrate dihydrate","Acta Crystallographica Section E","2008","64","2","m405","m405","10.1107/S1600536808002109","","","0.71073","MoKα","","0.0431","0.0344","","","0.0805","0.086","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217785","10.5422","0.0005","12.1343","0.0005","14.8245","0.0006","70.578","0.004","70.096","0.004","89.968","0.003","1668.01","0.14","180","2","180","2","","","","","","","","3","P 1","P 1","1","","(4aS,10aS)-7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a- octahydrophenanthrene","","- C20 H30 O -","- C20 H30 O -","- C80 H120 O4 -","4","4","HG2379","Zeroual, Abdellah; Mazoir, Noureddine; Daran, Jean-Claude; Akssira, Mohamed; Benharref, Ahmed","(4a<i>S</i>,10a<i>S</i>)-7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene: a new diterpenoid compound","Acta Crystallographica Section E","2008","64","3","o604","o605","10.1107/S1600536808004546","","","0.71073","MoKα","","0.0656","0.04","","","0.0919","0.1092","","","","","","0.978","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217949","6.581","0.003","7.26","0.004","27.908","0.014","84.98","0.02","86.48","0.03","64.01","0.03","1193.6","1.1","173","2","173","2","","","","","","","","3","P 1","P 1","1","","1-(5a,5b,8,8,11a,13b-Hexamethyleicosahydro-1H-cyclopenta[a]chrysen-3-yl)-1-ethanone","","- C29 H48 O -","- C29 H48 O -","- C58 H96 O2 -","2","2","IS2277","Hussain, Altaf; Siddiqui, Hamid Latif; Rashid, Rehana; Khan, Khalid Mehmood; Parvez, Masood","1-(5a,5b,8,8,11a,13b-Hexamethyleicosahydro-1<i>H</i>-cyclopenta[<i>a</i>]chrysen-3-yl)-1-ethanone","Acta Crystallographica Section E","2008","64","4","o723","","10.1107/S1600536808006831","","","0.71073","MoKα","","0.104","0.069","","","0.154","0.177","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218376","3.978","0.002","8.153","0.003","14.04","0.002","96.89","0.02","96.2","0.03","100.7","0.02","440.2","0.3","298","2","298","2","","","","","","","","6","P 1","P 1","1","","Methyl 5-bromo-2-chloropyridine-3-carboxylate","","- C7 H5 Br Cl N O2 -","- C7 H5 Br Cl N O2 -","- C14 H10 Br2 Cl2 N2 O4 -","2","2","CV2402","Ma, Yi; Liu, Ya-Lun","Methyl 5-bromo-2-chloropyridine-3-carboxylate","Acta Crystallographica Section E","2008","64","6","o1072","","10.1107/S1600536808013305","","","0.71073","MoKα","","0.052","0.0441","","","0.1138","0.1302","","","","","","1.09","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2218393","8.5417","0.0002","10.2807","0.0002","12.64","0.0003","102.85","0.001","90.091","0.001","91.488","0.001","1081.78","0.04","90","2","90","2","","","","","","","","4","P 1","P 1","1","7,6-spirolactam","(1<i>R</i>,6<i>R</i>)-1-Methyl-8-azaspiro[5.6]dodecan-7-one","","- C12 H21 N O -","- C12 H21 N O -","- C48 H84 N4 O4 -","4","4","DN2350","Guéret, Stéphanie M.; Choi, Ka Wai; O'Connor, Patrick D.; Boyd, Peter D. W.; Brimble, Margaret A.","(1<i>R</i>,6<i>R</i>)-1-Methyl-8-azaspiro[5.6]dodecan-7-one","Acta Crystallographica Section E","2008","64","6","o1151","","10.1107/S1600536808015158","","","0.71073","MoKα","","0.0438","0.0396","","","0.1003","0.1038","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218639","5.6729","0.0001","13.435","0.0003","16.8404","0.0003","87.55","0.001","82.243","0.001","85.332","0.001","1266.88","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","6-[(<i>E</i>)-3,7-Dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)- 4-phenyl-2<i>H</i>-chromen-2-one","","- C30 H34 O5 -","- C30 H34 O5 -","- C60 H68 O10 -","2","2","CI2600","Chan, Gomathi; Awang, Khalijah; A. Hadi, A. Hamid; Ng, Seik Weng","6-[(<i>E</i>)-3,7-Dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one from <i>Mesua kunstleri</i> King (Kosterm)","Acta Crystallographica Section E","2008","64","7","o1332","","10.1107/S1600536808018151","","","0.71073","MoKα","","0.0945","0.0695","","","0.1828","0.2101","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218828","6.0397","0.0001","7.7856","0.0001","17.468","0.0002","81.366","0.001","89.322","0.001","87.057","0.001","811.006","0.019","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","(5-Methylpyrazine-2-carboxylato)diphenyltin(IV)","","- C14 H15 N3 O5 S2 -","- C14 H15 N3 O5 S2 -","- C28 H30 N6 O10 S4 -","2","2","SU2055","Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Deepak D'Silva, E.; Patil, P. S.; Dharmaprakash, S. M.","<i>S</i>-Benzylthiouronium 3-nitrobenzenesulfonate","Acta Crystallographica Section E","2008","64","7","o1195","o1196","10.1107/S1600536808016115","","","0.71073","MoKα","","0.0567","0.0437","","","0.0924","0.1123","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219078","8.2302","0.0002","9.1319","0.0002","12.7193","0.0003","105.037","0.001","93.214","0.002","100.499","0.002","902.37","0.04","298","2","298","2","","","","","","","","5","P 1","P 1","1","","3,3'-Dibromo-5,5'-bis[(<i>S</i>)-l-menthyloxy]-4,4'-(hexane-1,6- diyldiimino)difuran-2(5<i>H</i>)-one","","- C34 H54 Br2 N2 O6 -","- C34 H54 Br2 N2 O6 -","- C34 H54 Br2 N2 O6 -","1","1","KP2170","Wang, Zhao-Yang; Song, Xiu-Mei; Cai, Yue-Peng; Mao, Zheng-Zhou","3,3'-Dibromo-5,5'-bis[(<i>S</i>)-<small>L</small>-menthyloxy]-4,4'-(hexane-1,6-diyldiimino)difuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2008","64","8","o1642","","10.1107/S1600536808020333","","","0.71073","MoKα","","0.061","0.0385","","","0.0805","0.0898","","","","","","0.975","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219083","7.2742","0.0004","9.4472","0.0005","10.4767","0.0006","108.621","0.003","107.26","0.002","97.353","0.002","631.51","0.06","293","2","293","2","","","","","","","","6","P 1","P 1","1","","poly[μ-chlorido-heptachlorido-μ~3~-L-proline-μ~2~-L-proline-tetramercury(II)]","","- C10 H18 Cl8 Hg4 N2 O4 -","- C10 H18 Cl8 Hg4 N2 O4 -","- C10 H18 Cl8 Hg4 N2 O4 -","1","1","LH2640","Kalaiselvi, D.; Kumar, R. Mohan; Jayavel, R.","Redetermination of poly[μ-chlorido-heptachlorido-μ~3~-<small>L</small>-proline-μ~2~-<small>L</small>-proline-tetramercury(II)]","Acta Crystallographica Section E","2008","64","8","m1048","m1049","10.1107/S160053680802196X","","","0.71073","MoKα","","0.0388","0.0367","","","0.1081","0.1107","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219357","7.926","0.003","8.244","0.003","8.709","0.003","98.323","0.006","96.18","0.006","103.915","0.006","540.5","0.3","294","2","294","2","","","","","","","","5","P 1","P 1","1","","2-Nitro-p-phenylene bis(toluenesulfonate)","","- C20 H17 N O8 S2 -","- C20 H17 N O8 S2 -","- C20 H17 N O8 S2 -","1","1","HK2500","Ji, Xiujie; Cheng, Bowen; Song, Jun; Liu, Chao","2-Nitro-<i>p</i>-phenylene bis(toluenesulfonate)","Acta Crystallographica Section E","2008","64","9","o1816","","10.1107/S1600536808026573","","","0.71073","MoKα","","0.0655","0.045","","","0.1168","0.1346","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219580","9.3046","0.0019","13.126","0.003","13.572","0.003","88.14","0.03","89.99","0.02","72.39","0.03","1579","0.7","292","2","294","2","","","","","","","","4","P 1","P 1","1","","1-{Phenyl[1-(<i>p</i>-tolyl)ethylamino]methyl}-2-naphthol","","- C26 H25 N O -","- C26 H25 N O -","- C78 H75 N3 O3 -","3","3","FL2220","Li, Yong Hua; Zhao, Min Min; Zhang, Yuan","1-{Phenyl[1-(<i>p</i>-tolyl)ethylamino]methyl}-2-naphthol","Acta Crystallographica Section E","2008","64","10","o2005","","10.1107/S1600536808030365","","","0.71073","MoKα","","0.0996","0.0554","","","0.1153","0.136","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219626","9.082","0.003","9.849","0.003","13.644","0.004","79.587","0.004","83.253","0.004","65.458","0.004","1090.7","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(2<i>R</i>)-2-Cinnamoylamino-<i>N</i>-[5-(4-methoxyphenyl) -1,3,4-thiadiazol-2-yl]propanamide","","- C21 H20 N4 O3 S -","- C21 H20 N4 O3 S -","- C42 H40 N8 O6 S2 -","2","2","IM2079","Li, Shao-Hua; Li, Gang; Huang, Hui-Ming; Tu, Guo-Gang; Liu, Cheng-Mei","(2<i>R</i>)-2-Cinnamoylamino-<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide","Acta Crystallographica Section E","2008","64","10","o1887","","10.1107/S1600536808027803","","","0.71073","MoKα","","0.0492","0.0382","","","0.0929","0.097","","","","","","0.939","","","","has coordinates,has disorder,has Fobs","201974","2020-10-21","18:00:00",""
"2219659","5.9366","0.0002","11.1694","0.0005","12.753","0.0006","113.413","0.002","100.37","0.0019","93.783","0.002","754.42","0.06","150","","150","","","","","","","","","3","P 1","P 1","1","","","","- C13 H24 O6 -","- C13 H24 O6 -","- C26 H48 O12 -","2","2","LH2696","Jenkinson, Sarah F.; Booth, K. Victoria; Best, Daniel; Fleet, George W. J.; Watkin, David J.","<i>tert</i>-Butyl 2-deoxy-4,5-<i>O</i>-isopropylidene-<small>D</small>-gluconate","Acta Crystallographica Section E","2008","64","10","o2011","o2012","10.1107/S160053680803064X","","","0.71073","MoKα","","0.0541","0.0401","","0.104","0.096","0.104","","","","","","0.9692","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219764","8.5276","0.0011","8.5517","0.0011","8.6259","0.0011","92.919","0.005","94.209","0.004","94.146","0.005","624.71","0.14","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(E)-Methyl N'-(3,4-dimethoxybenzylidene)hydrazinecarboxylate","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C22 H28 N4 O8 -","2","2","BG2215","Lv, Lu-Ping; Ding, Xiao-Min; Zhang, Yong-Zhao; Li, Wei-Wei; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-(3,4-dimethoxybenzylidene)hydrazinecarboxylate","Acta Crystallographica Section E","2008","64","11","o2189","","10.1107/S1600536808034260","","","0.71073","MoKα","","0.0308","0.0277","","","0.0768","0.0795","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219923","6.9325","0.0001","11.6867","0.0002","25.0826","0.0005","96.728","0.001","92.449","0.001","89.971","0.001","2016.28","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","hexamethylenetetramine‒4-nitrophenol‒water (1/2/1)","","- C18 H24 N6 O7 -","- C18 H24 N6 O7 -","- C72 H96 N24 O28 -","4","4","LH2700","Ng, Seik Weng","Non-merohedrally twinned hexamethylenetetramine‒4-nitrophenol‒water (1/2/1), triclinic modification","Acta Crystallographica Section E","2008","64","11","o2195","","10.1107/S1600536808034442","","","0.71073","MoKα","","0.0915","0.0786","","","0.216","0.2316","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219924","7.858","0.002","8.101","0.002","9.601","0.003","85.673","0.005","85.186","0.005","68.834","0.004","567.3","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","4,4'-Iminodipyridinium bis(hydrogen phthalate)","","- C26 H21 N3 O8 -","- C26 H21 N3 O8 -","- C26 H21 N3 O8 -","1","1","LH2702","Martin, David P.; LaDuca, Robert L.","4,4'-Iminodipyridinium bis(hydrogen phthalate)","Acta Crystallographica Section E","2008","64","11","o2153","","10.1107/S1600536808031681","","","0.71073","MoKα","","0.0657","0.06","","","0.1632","0.1699","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2221024","4.8718","0.0017","6.842","0.002","10.709","0.004","98.014","0.005","93.258","0.006","97.413","0.005","349.5","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(<i>E</i>)-4-Bromo-<i>N</i>'-(2-nitrobenzylidene)benzohydrazide","","- C14 H10 Br N3 O3 -","- C14 H10 Br N3 O3 -","- C14 H10 Br N3 O3 -","1","1","CI2760","Zhang, Ming-Jun; Yin, Li-Zi; Wang, Da-Cheng; Deng, Xu-Ming; Liu, Jing-Bo","(<i>E</i>)-4-Bromo-<i>N</i>'-(2-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","3","o508","","10.1107/S1600536809002165","","","0.71073","MoKα","","0.0373","0.0271","","","0.0605","0.064","","","","","","0.949","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221531","6.6516","0.0001","6.9345","0.0001","7.0988","0.0001","73.833","0.001","80.182","0.001","61.613","0.001","276.39","0.008","118","2","118","2","","","","","","","","5","P 1","P 1","1","","2-[(4-Chlorobenzoyl)hydrazono]propionic acid monohydrate","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","1","1","TK2398","Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng","2-[(4-Chlorobenzoyl)hydrazono]propionic acid monohydrate","Acta Crystallographica Section E","2009","65","4","o816","","10.1107/S1600536809009544","","","0.71073","MoKα","","0.026","0.026","","","0.07","0.07","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221577","5.9251","0.0013","10.783","0.002","19.163","0.004","77.402","0.004","85.281","0.004","78.224","0.004","1168.8","0.4","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(<i>E</i>)-(4-Chlorobenzylidene){[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-\ isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthryl]\ methyl}amine","","- C27 H34 Cl N -","- C27 H34 Cl N -","- C54 H68 Cl2 N2 -","2","2","AT2759","Chen, Yu-Xiang; Zhao, Zhen-Dong; Wang, Yu-Min; Bi, Liang-Wu","(<i>E</i>)-(4-Chlorobenzylidene){[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthryl]methyl}amine","Acta Crystallographica Section E","2009","65","5","o1118","","10.1107/S1600536809013245","","","0.71073","MoKα","","0.0935","0.0618","","","0.1635","0.1879","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221677","4.5625","0.0003","6.4739","0.0004","6.5933","0.0006","92.934","0.004","91.236","0.004","98.627","0.005","192.21","0.02","293","2","293","2","","","","","","","","5","P 1","P 1","1","Cytosinium dihydrogen phosphite","Cytosinium dihydrogen phosphite","","- C4 H8 N3 O4 P -","- C4 H8 N3 O4 P -","- C4 H8 N3 O4 P -","1","1","GW2061","Messai, Amel; Benali-Cherif, Nourredine; Jeanneau, Erwann; Luneau, Dominique","Hydrogen bonding in cytosinium dihydrogen phosphite","Acta Crystallographica Section E","2009","65","5","o1147","o1148","10.1107/S1600536809014020","","","0.71073","Mokα","","0.0373","0.0348","","","0.0838","0.0843","","","","","","1.131","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221931","10.974","0.0003","11.0721","0.0003","11.1686","0.0003","77.2135","0.0015","73.2087","0.0014","64.3465","0.0014","1163.81","0.06","223","2","223","2","","","","","","","","4","P 1","P 1","1","","16α,17α-Epoxy-5α-hydroxy-6β-nitrooxy-20-oxopregnan-3β-yl acetate","","- C23 H33 N O8 -","- C23 H33 N O8 -","- C46 H66 N2 O16 -","2","2","BT2943","Pinto, R. M. A.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","16α,17α-Epoxy-5α-hydroxy-6β-nitrooxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section E","2009","65","6","o1271","o1272","10.1107/S1600536809016997","","","0.71073","MoKα","","0.0541","0.0431","","","0.1109","0.1183","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222033","5.1483","0.0005","11.66","0.0015","13.651","0.0019","88.884","0.006","82.681","0.008","87.306","0.008","811.81","0.17","120","1","120","1","","","","","","","","5","P 1","P 1","1","","<i>N</i>-[(1,1-dimethylethoxy)carbonyl]-3-[(<i>R</i>)-prop-2-en-1-ylsulfinyl]- (<i>R</i>)-alanine ethyl ester","","- C13 H23 N O5 S -","- C13 H23 N O5 S -","- C26 H46 N2 O10 S2 -","2","2","HB2979","Singh, Suneel P.; Verdu, Marcus J.; Lough, Alan J.; Schwan, Adrian L.","Triclinic modification of <i>N</i>-[(1,1-dimethylethoxy)carbonyl]-3-[(<i>R</i>)-prop-2-en-1-ylsulfinyl]-(<i>R</i>)-alanine ethyl ester at 120(1) K","Acta Crystallographica Section E","2009","65","6","o1387","","10.1107/S1600536809019011","","","0.71073","MoKα","","0.11","0.0926","","","0.2437","0.2607","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222168","8.4522","0.0002","11.7144","0.0002","14.1292","0.0003","107.484","0.001","90.249","0.001","104.871","0.001","1284.6","0.05","118","2","123","2","","","","","","","","3","P 1","P 1","1","","8,14-Secogammacera-7,14(27)-diene-3,21-dione‒8,14-secogammacera-7,14-diene-\ 3,21-dione (1.5/0.5)","","- C60 H92 O4 -","- C60 H92 O4 -","- C60 H92 O4 -","1","1","TK2453","Tjokronegero, Roekmi-ati; Mayanti, Tri; Supratman, Unang; Mukhtar, Mat Ropi; Ng, Seik Weng","8,14-Secogammacera-7,14(27)-diene-3,21-dione‒8,14-secogammacera-7,14-diene-3,21-dione (1.5/0.5) from the bark of <i>Lansium domesticum</i> Corr.","Acta Crystallographica Section E","2009","65","6","o1448","","10.1107/S1600536809019710","","","0.71073","MoKα","","0.092","0.084","","","0.242","0.249","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222336","4.137","0.0002","8.1247","0.0002","14.4101","0.0002","74.549","0.01","85.166","0.01","81.205","0.01","460.87","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","4-Hydroxy-3-[(2<i>E</i>)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2<i>H</i>-chromen-2-one","","- C21 H18 O7 -","- C21 H18 O7 -","- C21 H18 O7 -","1","1","HG2517","Mechi, Lassaad; Chtiba, Samar; Hamdi, Naceur; Ben Hassen, Rached","4-Hydroxy-3-[(2<i>E</i>)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2009","65","7","o1652","o1653","10.1107/S1600536809022569","","","0.71073","MoKα","","0.0957","0.0454","","","0.1064","0.1356","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222654","8.339","0.003","8.349","0.003","8.663","0.003","94.717","0.012","95.21","0.008","94.298","0.012","596.5","0.4","223","2","223","2","","","","","","","","4","P 1","P 1","1","","<i>N</i>'-(3,4-Dimethoxybenzylidene)acetohydrazide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C22 H28 N4 O6 -","2","2","CV2586","Zhou, Bao-Cheng; Lv, Lu-Ping; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao","<i>N</i>'-(3,4-Dimethoxybenzylidene)acetohydrazide","Acta Crystallographica Section E","2009","65","8","o1964","","10.1107/S1600536809028608","","","0.71073","MoKα","","0.0389","0.0357","","","0.1078","0.1102","","","","","","1.118","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222689","5.5173","0.0003","7.7442","0.0004","24.1013","0.0013","94.507","0.001","96.151","0.001","91.227","0.001","1020.22","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","4-Butyl-1-(2,3,4-tri-<i>O</i>-acetyl-β-<i>L</i>-fucopyranosyl)-1<i>H</i>-1,2,3-triazole","","- C18 H27 N3 O7 -","- C18 H27 N3 O7 -","- C36 H54 N6 O14 -","2","2","FL2257","Alhassan, Abdul-Basit; Norris, Peter; Zeller, Matthias","4-Butyl-1-(2,3,4-tri-<i>O</i>-acetyl-β-<small>L</small>-fucopyranosyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2009","65","8","o1992","o1993","10.1107/S1600536809028700","","","0.71073","MoKα","","0.0476","0.0456","","","0.1151","0.1197","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222922","7.8696","0.0014","9.4558","0.0016","9.8018","0.0017","90.544","0.002","100.562","0.003","104.618","0.002","692.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>-[(6-Bromo-2-methoxy-3-quinolyl)phenylmethyl]-2-morpholino- <i>N</i>-(1-phenylethyl)acetamide","","- C31 H32 Br N3 O3 -","- C31 H32 Br N3 O3 -","- C31 H32 Br N3 O3 -","1","1","XU2541","Cai, Zhi-Qiang; Xiong, Gang; Li, Shan-Rong; Liu, Jian-Bo; Sun, Tie-Min","<i>N</i>-[(6-Bromo-2-methoxy-3-quinolyl)phenylmethyl]-2-morpholino-<i>N</i>-(1-phenylethyl)acetamide","Acta Crystallographica Section E","2009","65","8","o1901","","10.1107/S1600536809027020","","","0.71073","MoKα","","0.0921","0.0761","","","0.2123","0.2361","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223067","7.2679","0.0006","8.1702","0.0007","8.9426","0.0008","105.15","0.001","95.658","0.001","104.602","0.001","488.25","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","Perillartine","4-(1-Methylvinyl)cyclohexene-1-carbaldehyde oxime","","- C10 H15 N O -","- C10 H15 N O -","- C20 H30 N2 O2 -","2","2","HB5034","Yuan, Xian-You; Zhang, Min; Ng, Seik Weng","Perillartine","Acta Crystallographica Section E","2009","65","9","o2149","","10.1107/S1600536809031225","","","0.71073","MoKα","","0.0635","0.0433","","","0.1245","0.139","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223321","9.4889","0.0019","9.6252","0.0019","10.967","0.002","113.924","0.004","94.555","0.004","93.835","0.004","907.3","0.3","100","2","100","2","","","","","","","","3","P 1","P 1","1","","<i>N</i>^4^,<i>N</i>^8^,3,6,9,10,11-Heptaphenyl-3,6,9,10,11-\ pentaazatricyclo[5.2.1.1^2,5^]undecane-4,8-diamine","","- C48 H43 N7 -","- C48 H43 N7 -","- C48 H43 N7 -","1","1","BX2238","Taheri, Amir; Moosavi, Sayed Mojtaba","<i>N</i>^4^,<i>N</i>^8^,3,6,9,10,11-Heptaphenyl-3,6,9,10,11-pentaazatricyclo[5.2.1.1^2,5^]undecane-4,8-diamine","Acta Crystallographica Section E","2009","65","10","o2337","","10.1107/S1600536809034436","","","0.71073","MoKα","","0.106","0.0555","","","0.1019","0.1211","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223476","5.416","0.0002","5.8236","0.0003","6.6006","0.0003","102.836","0.002","104.776","0.002","102.824","0.0019","187.504","0.015","150","","150","","","","","","","","","4","P 1","P 1","1","[(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-dihydroxy-5- (hydroxymethyl)proline]","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-Dihydroxy-5- (hydroxymethyl)pyrrolidine-2-carboxylic acid","","- C6 H11 N O5 -","- C6 H11 N O5 -","- C6 H11 N O5 -","1","1","LH2896","Best, Daniel; Jenkinson, Sarah F.; Thompson, Amber L.; Watkin, David J.; Wilson, Francis X.; Nash, Robert J.; Fleet, George W. J.","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid [(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-dihydroxy-5-(hydroxymethyl)proline]","Acta Crystallographica Section E","2009","65","10","o2418","o2419","10.1107/S1600536809035636","","","0.71073","MoKα","","0.029","0.0274","","0.066","0.0644","0.066","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223924","5.822","0.0012","9.121","0.0018","11.131","0.002","98.94","0.03","94.53","0.03","90.22","0.03","582","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Glucosyl anthranilate","","- C21 H25 N O11 -","- C21 H25 N O11 -","- C21 H25 N O11 -","1","1","NC2157","Liu, Haoyan; Zou, Ailan; Zhang, Hao; Wang, Xiaoming; Yang, Yonghua","Glucosyl anthranilate","Acta Crystallographica Section E","2009","65","11","o2725","","10.1107/S1600536809040975","","","0.71073","MoKα","","0.0495","0.0396","","","0.094","0.1003","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224292","6.0199","0.0001","9.2592","0.0002","11.0429","0.0002","73.365","0.001","74.694","0.001","75.737","0.001","559.045","0.019","173","2","173","2","","","","","","","","4","P 1","P 1","1","tetrahydroisoquinoline","(1<i>R</i>,3<i>S</i>)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4- tetrahydroisoquinoline-3-carboxylate","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C26 H27 N O4 -","1","1","HG2607","Naicker, Tricia; McKay, Michael; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(1<i>R</i>,3<i>S</i>)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","Acta Crystallographica Section E","2009","65","12","o3278","","10.1107/S1600536809050521","","","1.54184","CuKα","","0.028","0.0278","","","0.0771","0.0773","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224539","6.33","0.005","10.419","0.005","12.028","0.005","82.922","0.005","89.137","0.005","73.141","0.005","753.2","0.8","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Cholest-5-en-3β-yl <i>N</i>-phenylcarbamate","","- C34 H51 N O2 -","- C34 H51 N O2 -","- C34 H51 N O2 -","1","1","ZQ2013","Graia, Mohsen; Raza Murad, Ghalib; Krimi Ammar, Mehrzia; Mehdi, Sayed Hasan; Hashim, Rokiah","Cholest-5-en-3β-yl <i>N</i>-phenylcarbamate","Acta Crystallographica Section E","2009","65","12","o3231","","10.1107/S1600536809049010","","","0.71073","MoKα","","0.0717","0.0548","","","0.1376","0.1516","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224612","6.5365","0.0009","12.5639","0.0015","13.1212","0.0016","69.174","0.001","87.518","0.002","79.018","0.001","988.4","0.2","293","2","293","2","","","","","","","","3","P 1","P 1","1","","Ethyl (1<i>R</i>,4<i>S</i>,5<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>)-5,9,13- trimethyl-14-methylene-14-oxotetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecane- 5-carboxylate","","- C22 H34 O3 -","- C22 H34 O3 -","- C44 H68 O6 -","2","2","DN2514","Shi, Hao","Ethyl (1<i>R</i>,4<i>S</i>,5<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>)-5,9,13-trimethyl-14-methylene-14-oxotetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecane-5-carboxylate","Acta Crystallographica Section E","2010","66","1","o154","","10.1107/S1600536809053380","","","0.71073","MoKα","","0.114","0.0666","","","0.1626","0.1889","","","","","","0.902","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224845","7.1958","0.0009","9.368","0.0012","13.4124","0.0017","69.894","0.002","76.79","0.002","85.56","0.002","826.57","0.18","293","2","293","2","","","","","","","","6","P 1","P 1","1","(1<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Hydroxy-3- (4-methylphenylsulfonyloxy)tropan-8-ium chloride","(1<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Hydroxy-3-tosyloxytropan-8-ium chloride","","- C15 H22 Cl N O4 S -","- C15 H22 Cl N O4 S -","- C30 H44 Cl2 N2 O8 S2 -","2","2","BQ2182","Yu, Nian-Xi; Yang, Li-Min; Lu, Yang","(1<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Hydroxy-3-tosyloxytropan-8-ium chloride","Acta Crystallographica Section E","2010","66","2","o317","","10.1107/S1600536809055366","","","0.71073","MoKα","","0.0508","0.0434","","","0.0988","0.1055","","","","","","0.982","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224933","10.7703","0.0003","10.7766","0.0002","11.3521","0.0003","79.345","0.002","65.39","0.003","67.658","0.002","1107.44","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","Tetrakis-μ-L-alanine-κ^8^<i>O</i>:<i>O</i>'-bis[tetraaquaterbium(III)] hexaperchlorate","","- C12 H44 Cl6 N4 O40 Tb2 -","- C12 H44 Cl6 N4 O40 Tb2 -","- C12 H44 Cl6 N4 O40 Tb2 -","1","1","CV2689","Mohamed, Musa E.; Chopra, Deepak; Venugopal, K. N.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Tetrakis-μ-<small>L</small>-alanine-κ^8^<i>O</i>:<i>O</i>'-bis[tetraaquaterbium(III)] hexaperchlorate","Acta Crystallographica Section E","2010","66","2","m193","m194","10.1107/S1600536810002448","","","0.71073","MoKα","","0.0362","0.0342","","","0.1045","0.1072","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225076","5.0915","0.001","8.3251","0.0017","11.611","0.002","71.29","0.03","87.74","0.03","76.1","0.03","452.12","0.18","113","2","113","2","","","","","","","","4","P 1","P 1","1","","4-[4-(3-Methoxybenzamido)phenoxy]-<i>N</i>-methylpicolinamide","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","1","1","OM2308","Meng, Na-Na; Huang, Ting-Ting; Li, De-Kuan; Zhang, Wen-Xin; Yu, Luo-Ting","4-[4-(3-Methoxybenzamido)phenoxy]-<i>N</i>-methylpicolinamide","Acta Crystallographica Section E","2010","66","2","o476","","10.1107/S1600536809055688","","","0.71073","MoKα","","0.0398","0.0349","","","0.084","0.0852","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225094","6.8281","0.0006","7.7624","0.0009","11.8748","0.0012","71.733","0.003","79.051","0.003","73.488","0.003","569.5","0.1","296","1","296","1","","","","","","","","4","P 1","P 1","1","","(<i>R</i>)-2-(2-Methoxyphenyl)-2,5-dihydrothiophene-3-carbaldehyde","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C24 H24 O4 S2 -","2","2","PV2254","Tang, Jie; Xia, Ai-Bao; Jiang, Jun-Rong; Wang, Yifeng","(<i>R</i>)-2-(2-Methoxyphenyl)-2,5-dihydrothiophene-3-carbaldehyde","Acta Crystallographica Section E","2010","66","2","o352","","10.1107/S1600536810000991","","","0.71073","MoKα","","0.0731","0.0387","","","0.0796","0.1156","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225211","9.833","0.002","10.572","0.002","12.785","0.003","108.13","0.03","97.62","0.03","102.54","0.03","1203.9","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","[(1<i>R</i>)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-κ^2^<i>O</i>,<i>O</i>']chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)","","- C27 H33 Cl O2 Ru -","- C27 H33 Cl O2 Ru -","- C54 H66 Cl2 O4 Ru2 -","2","2","CV2696","Harrad, Mohamed Anouar; Valerga, Pedro; Puerta, M. Carmen; Ali, Mustapha Ait; El Firdoussi, Larbi; Karim, Abdellah","[(1<i>R</i>)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-κ^2^<i>O</i>,<i>O</i>']chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)","Acta Crystallographica Section E","2010","66","3","m281","","10.1107/S1600536810005015","","","0.71073","MoKα","","0.0322","0.0312","","","0.0857","0.0874","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225376","6.0754","0.0008","7.6324","0.0011","14.5662","0.0019","97.997","0.007","97.179","0.006","90.526","0.007","663.38","0.16","293","2","293","2","","","","","","","","2","P 1","P 1","1","2-(naphthalen-2-yl)azulene","2-(naphthalen-2-yl)azulene","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","2","SJ2726","Ye, Jian; Shi, Zi-Fa; Sun, Chun-Lin; Xu, Zhu-Guo; Zhang, Hao-Li","2-(Naphthalen-2-yl)azulene","Acta Crystallographica Section E","2010","66","3","o592","o593","10.1107/S1600536810004897","","","0.71073","MoKα","","0.0667","0.0497","","","0.1182","0.1301","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225471","3.7599","0.0008","5.8641","0.0013","7.0189","0.0015","84.687","0.003","89.668","0.003","76.02","0.003","149.5","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","2-Chloro-5-nitropyridine","","- C5 H3 Cl N2 O2 -","- C5 H3 Cl N2 O2 -","- C5 H3 Cl N2 O2 -","1","1","BT5214","Ng, Seik Weng","2-Chloro-5-nitropyridine","Acta Crystallographica Section E","2010","66","4","o848","","10.1107/S1600536810008974","","","0.71073","MoKα","","0.0582","0.0556","","","0.1405","0.1425","","","","","","1.167","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225633","7.0314","0.0005","19.82","0.002","19.832","0.002","87.995","0.004","79.779","0.006","79.78","0.005","2676.8","0.4","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Tetraphenylphosphonium octahydrotriborate","","- C24 H28 B3 P -","- C24 H28 B3 P -","- C120 H140 B15 P5 -","5","5","LH2986","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Pszolla, Christian","Tetraphenylphosphonium octahydrotriborate","Acta Crystallographica Section E","2010","66","4","o833","","10.1107/S1600536810008263","","","0.71073","MoKα","","0.0933","0.0698","","","0.1721","0.1911","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225832","7.032","0.0014","7.759","0.0016","9.58","0.0019","85.44","0.03","81.89","0.03","71.84","0.03","491.34","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(2<i>S</i>*)-2-Ammonio-3-(1<i>H</i>-indol-3-yl)propionate pyridine-2,4-dicarboxylic acid ethanol solvate","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","1","1","FB2190","Di, Kai","(2<i>S</i>*)-2-Ammonio-3-(1<i>H</i>-indol-3-yl)propionate pyridine-2,4-dicarboxylic acid ethanol solvate","Acta Crystallographica Section E","2010","66","5","o1125","o1126","10.1107/S1600536810014017","","","0.71073","MoKα","","0.0523","0.0448","","","0.1043","0.1089","","","","","","1.018","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225960","7.772","0.003","14.603","0.006","15.06","0.006","75.313","0.006","82.182","0.006","88.367","0.006","1638","1.1","295","2","295","2","","","","","","","","4","P 1","P 1","1","(3<i>S</i>,4<i>R</i>)-3-Ethyl-4-hydroxy-3-(3-methoxyphenyl)-1- methylazepan-1-ium L-dibenzoyltartrate","(3<i>S</i>,4<i>R</i>)-3-ethyl-4-hydroxy-3-(3-methoxyphenyl)-1-methylazepanium (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropionate","","- C34 H39 N O10 -","- C34 H39 N O10 -","- C68 H78 N2 O20 -","2","2","RK2195","Chao, Bo; Wang, Xing-Hai; Sun, Jian; Qiu, Zhui-Bai","(3<i>S</i>,4<i>R</i>)-3-Ethyl-4-hydroxy-3-(3-methoxyphenyl)-1-methylazepanium (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropionate","Acta Crystallographica Section E","2010","66","5","o1092","","10.1107/S1600536810013425","","","0.71073","MoKα","","0.1119","0.0482","","","0.0957","0.1101","","","","","","0.8","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226137","7.0361","0.0001","11.235","0.0001","21.155","0.0002","90.777","0.001","96.166","0.001","101.153","0.001","1630.23","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","5,22-Stigmastadien-3β-yl <i>p</i>-toluenesulfonate","(3<i>S</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)- 17-[(<i>E</i>,2<i>R</i>,5<i>S</i>)-5-ethyl-6-methylhept-3-en-2-yl]-10,13- dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1<i>H</i>- cyclopenta[<i>a</i>]phenanthren-3-yl <i>p</i>-toluenesulfonate","","- C36 H54 O3 S -","- C36 H54 O3 S -","- C72 H108 O6 S2 -","2","2","HB5438","Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Khaledi, Hamid; Tiekink, Edward R. T.","5,22-Stigmastadien-3β-yl <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2010","66","6","o1336","","10.1107/S1600536810016661","","","0.71073","MoKα","","0.038","0.035","","","0.087","0.089","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226412","6.871","0.0001","10.1701","0.0002","11.7947","0.0002","79.143","0.001","88.043","0.001","83.855","0.001","804.71","0.02","93","2","93","2","","","","","","","","4","P 1","P 1","1","","(1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)- 1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene- 8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene","","- C34 H54 N2 O4 -","- C34 H54 N2 O4 -","- C34 H54 N2 O4 -","1","1","DN2578","Guéret, Stéphanie M.; Boyd, Peter D. W.; Brimble, Margaret A.","(1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)-1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene-8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene","Acta Crystallographica Section E","2010","66","7","o1778","o1779","10.1107/S1600536810023998","","","0.71073","MoKα","","0.0386","0.0345","","","0.0877","0.091","","","","","","0.924","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226573","12.7271","0.0006","13.3286","0.0007","18.9177","0.0009","71.328","0.001","81.316","0.001","64.751","0.001","2749.3","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","12-Tungstophosphoric acid‒1,1'-methylenebis(imidazolidine-2,4-dione)‒imidazolidine-2,4-dione‒water (2/1/4/21.5)","","- C19 H73 N12 O113.5 P2 W24 -","- C19 H24 N12 O113.5 P2 W24 -","- C19 H24 N12 O113.5 P2 W24 -","1","1","LH5037","Alizadeh, Mohammad Hasan; Mohammadi Zonoz, Irandokht","12-Tungstophosphoric acid‒1,1'-methylenebis(imidazolidine-2,4-dione)‒imidazolidine-2,4-dione‒water (2/1/4/21.5)","Acta Crystallographica Section E","2010","66","7","m839","","10.1107/S160053681002310X","","","0.71073","MoKα","","0.051","0.0428","","","0.0977","0.1022","","","","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2226600","3.8478","0.0002","10.2231","0.0006","11.2982","0.0007","85.522","0.001","80.707","0.001","81.826","0.001","433.45","0.04","296","2","296","2","","","","","","","","4","P 1","P 1","1","","Benzimidazolium 3,5-dicarboxybenzoate trihydrate","","- C16 H18 N2 O9 -","- C16 H18 N2 O9 -","- C16 H18 N2 O9 -","1","1","NC2189","Chang, Hong; Yang, You-Li; Wang, Xiu-Guang; Yang, En-Cui","Benzimidazolium 3,5-dicarboxybenzoate trihydrate","Acta Crystallographica Section E","2010","66","7","o1738","","10.1107/S1600536810023305","","","0.71073","MoKα","","0.0295","0.0283","","","0.0714","0.0729","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227045","9.7383","0.0005","9.9035","0.0006","15.2809","0.0009","101.414","0.005","99.188","0.005","90.065","0.005","1425.24","0.14","295","","295","2","","","","","","","","4","P 1","P 1","1","","<i>N</i>-[2-(4-Methyl-2-quinolyl)phenyl]acetamide","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","4","PV2303","Khan, F. Nawaz; Roopan, S. Mohana; Malathi, N.; Hathwar, Venkatesha R.; Akkurt, Mehmet","<i>N</i>-[2-(4-Methyl-2-quinolyl)phenyl]acetamide: a <i>P</i>1 structure with <i>Z</i> = 4","Acta Crystallographica Section E","2010","66","8","o2043","o2044","10.1107/S1600536810027650","","","0.71073","MoKα","","0.096","0.0584","","","0.1516","0.1639","","","","","","0.937","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227138","8.367","0.002","8.5937","0.0018","10.917","0.003","75.312","0.009","87.779","0.01","68.15","0.008","703.4","0.3","93","2","93","2","","","","","","","","4","P 1","P 1","1","Epoxycytochalasin H","21-acetoxy-18,21-dihydroxy-5,6,16,18-tetramethyl-10-phenyl-6,7- epoxy-[11]cytochalasa-13,19-dien-1-one methanol solvate","","- C31 H43 N O6 -","- C31 H43 N O6 -","- C31 H43 N O6 -","1","1","ZL2284","Li, Li-mei; Liu, Yang; Yang, Tai; Yu, Kai-bei; Zou, Qiang","Epoxycytochalasin H methanol solvate","Acta Crystallographica Section E","2010","66","8","o2176","o2177","10.1107/S1600536810029600","","","0.71073","MoKα","","0.0317","0.0298","","","0.0692","0.0703","","","","","","0.997","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227150","4.6675","0.0007","5.7001","0.0007","16.645","0.003","90.457","0.009","92.087","0.007","97.319","0.009","438.91","0.12","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Benzyl <i>N</i>-{(1<i>S</i>)-2-hydroxy-1-[<i>N</i>'-(2- nitrobenzylidene)hydrazinylcarbonyl]ethyl}carbamate","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","1","1","ZS2049","de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","Benzyl <i>N</i>-{(1<i>S</i>)-2-hydroxy-1-[<i>N</i>'-(2-nitrobenzylidene)hydrazinylcarbonyl]ethyl}carbamate","Acta Crystallographica Section E","2010","66","8","o2023","o2024","10.1107/S1600536810027273","","","0.71073","MoKα","","0.147","0.089","","","0.16","0.19","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227223","10.75","0.0007","11.3594","0.0007","12.5494","0.0008","79.494","0.001","81.89","0.001","75.294","0.001","1450.15","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-2-(piperidin-1-\ ylcarbothioylsulfanyl)acetato-κ^2^<i>O</i>:<i>O'</i>]","","- C29 H33 N O2 S2 Sn -","- C29 H33 N O2 S2 Sn -","- C58 H66 N2 O4 S4 Sn2 -","2","2","BT5336","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-2-(piperidin-1-ylcarbothioylsulfanyl)acetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2010","66","10","m1222","","10.1107/S1600536810035221","","","0.71073","MoKα","","0.0461","0.0345","","","0.0861","0.0951","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227587","7.4017","0.0015","7.745","0.0015","10.215","0.002","99.51","0.03","94.7","0.03","114.97","0.03","516","0.2","293","2","293","2","","","","","","","","3","P 1","P 1","1","","12β,14-Dihydroxy-3-oxo-5β,20(22)-cardenolide monohydrate","","- C23 H32 O6 -","- C23 H32 O6 -","- C23 H32 O6 -","1","1","HG2696","He, Chao-Jun; Wang, Min; Sun, Hua; Liu, Zeng-bing; Fu, Yu-wan","12β,14-Dihydroxy-3-oxo-5β,20(22)-cardenolide monohydrate","Acta Crystallographica Section E","2010","66","11","o2704","","10.1107/S1600536810038031","","","0.71073","MoKα","","0.0423","0.0344","","","0.0773","0.0816","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227637","6.2952","0.0015","9.716","0.002","11.482","0.003","65.953","0.004","77.592","0.004","88.498","0.004","624.9","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","1-(4-Bromo-2-fluorobenzyl)pyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C18 H10 Br F N Ni S10 -","- C18 H10 Br F N Ni S10 -","- C18 H10 Br F N Ni S10 -","1","1","HY2356","Zhang, Peng; Li, Kaihui; Mei, Chongzhen","1-(4-Bromo-2-fluorobenzyl)pyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","Acta Crystallographica Section E","2010","66","11","m1367","","10.1107/S1600536810039334","","","0.71073","MoKα","","0.0402","0.0368","","","0.0844","0.086","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227980","6.2684","0.0002","7.1162","0.0003","16.0814","0.0005","96.812","0.003","91.079","0.003","114.397","0.004","646.85","0.05","120","2","120","","","","","","","","","3","P 1","P 1","1","Arborinol methyl ether","3a-methoxyarbor-9(11)-ene","","- C31 H52 O -","- C31 H52 O -","- C31 H52 O -","1","1","SI2282","He, Xixin; Li, Yajun; Zhang, Cuixian; Hu, Xiaopeng","Arborinol methyl ether from <i>Areca catechu</i> L.","Acta Crystallographica Section E","2010","66","9","o2273","o2274","10.1107/S1600536810030758","","","1.5418","CuKα","","0.0359","0.0359","","","0.0964","0.0964","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228425","6.0341","0.0002","8.25","0.0003","10.2448","0.0003","108.837","0.001","104.782","0.001","92.792","0.001","461.9","0.03","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","1-{[5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1<i>H</i>-pyrazol-3- yl]carbonyl]}piperidin-4-one","","- C21 H17 Cl F N3 O2 -","- C21 H17 Cl F N3 O2 -","- C21 H17 Cl F N3 O2 -","1","1","IS2632","Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Venkatesh, M.","1-{[5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1<i>H</i>-pyrazol-3-yl]carbonyl]}piperidin-4-one","Acta Crystallographica Section E","2010","66","12","o3233","o3234","10.1107/S1600536810047215","","","0.71073","MoKα","","0.0241","0.0238","","","0.0616","0.062","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228620","8.2802","0.0004","8.6819","0.0005","14.1363","0.0007","94.13","0.001","97.028","0.001","90.603","0.001","1005.78","0.09","293","2","293","2","","","","","","","","3","P 1","P 1","1","","(20<i>S</i>)-20-Acetoxy-4-pregnene-3,16-dione","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","2","XU5092","Yousuf, Sammer; Ahmed, Rida; Ali, Zulfiqar; Choudhary, M. Iqbal; Ng, Seik Weng","(20<i>S</i>)-20-Acetoxy-4-pregnene-3,16-dione from <i>Commiphora wightii</i>","Acta Crystallographica Section E","2010","66","12","o3301","","10.1107/S1600536810047987","","","0.71073","MoKα","","0.0422","0.0412","","","0.1082","0.1108","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228646","5.847","0.005","8.981","0.007","11.63","0.009","80.456","0.011","83.922","0.011","76.971","0.012","585.3","0.8","150","2","150","2","","","","","","","","4","P 1","P 1","1","Methyl-N-bis(4-methoxyphenyl)methylene-L-seryl-L-valinate","(<i>S</i>)-Methyl 2-{(<i>S</i>)-2-[bis(4-methoxyphenyl)methylideneamino]- 3-hydroxypropanamido}-3-methylbutanoate","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","1","1","BH2325","Keyari, Charles M.; Polt, Robin; Nichol, Gary S.","(<i>S</i>)-Methyl 2-{(<i>S</i>)-2-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxypropanamido}-3-methylbutanoate","Acta Crystallographica Section E","2011","67","1","o13","o14","10.1107/S1600536810049032","","","0.71073","MoKα","","0.0636","0.0373","","","0.0842","0.1065","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229054","7.1044","0.0008","9.7393","0.001","10.9236","0.0012","109.731","0.005","91.799","0.006","100.679","0.006","695.51","0.13","296","2","296","2","","","","","","","","4","P 1","P 1","1","","<i>N</i>-{4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenyl}acetamide","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","2","GK2340","Tahir, M. Nawaz; Shad, Hazoor Ahmad","<i>N</i>-{4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenyl}acetamide","Acta Crystallographica Section E","2011","67","2","o443","","10.1107/S1600536811001887","","","0.71073","MoKα","","0.0987","0.0443","","","0.091","0.1117","","","","","","0.966","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229062","3.8879","0.0002","6.751","0.0003","13.7788","0.0005","97.62","0.002","96.177","0.002","92.017","0.002","355.93","0.03","296","2","296","2","","","","","","","","4","P 1","P 1","1","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one","","- C15 H8 Cl4 O -","- C15 H8 Cl4 O -","- C15 H8 Cl4 O -","1","1","HB5777","Fun, Hoong-Kun; Yeap, Chin Sing; Prasad, D. Jagadeesh; Nayak, Suresh P.; Laxmana, K.","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","2","o241","","10.1107/S1600536810053213","","","0.71073","MoKα","","0.0332","0.0303","","","0.0787","0.0823","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229064","4.4235","0.001","5.685","0.0017","8.705","0.0017","80.819","0.013","79.943","0.014","81.804","0.014","211.3","0.09","293","2","293","2","","","","","","","","3","P 1","P 1","1","","2-Hydroxyethyl 4-hydroxybenzoate","","- C9 H10 O4 -","- C9 H10 O4 -","- C9 H10 O4 -","1","1","HB5779","Jeyalaxmi, M.; Jagadeesan, G.; Arulmoli, J.; Singh, D. Roop; Aravindhan, S.","2-Hydroxyethyl 4-hydroxybenzoate","Acta Crystallographica Section E","2011","67","2","o442","","10.1107/S1600536810054516","","","0.71073","MoKα","","0.0346","0.0306","","","0.084","0.0876","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229171","11.879","0.002","12.445","0.003","15.039","0.003","96.71","0.03","110.9","0.03","103.98","0.03","1964.3","1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","(<i>R</i>)-2,2'-Bis[<i>N</i>'-(3,5-dichlorophenyl)ureido]-1,1'-binaphthalene chloroform disolvate","","- C36 H24 Cl10 N4 O2 -","- C36 H24 Cl10 N4 O2 -","- C72 H48 Cl20 N8 O4 -","2","2","OM2383","Holakovský, Roman; Pojarová, Michaela; Dušek, Michal; Čejka, Jan; Císařová, Ivana","(<i>R</i>)-2,2'-Bis[<i>N</i>'-(3,5-dichlorophenyl)ureido]-1,1'-binaphthalene chloroform disolvate","Acta Crystallographica Section E","2011","67","2","o384","o385","10.1107/S1600536810052657","","","0.71073","MoKα","","0.0689","0.0504","","","0.1122","0.1246","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229209","9.5892","0.0004","16.1622","0.0006","19.5255","0.0007","65.832","0.002","89.562","0.002","81.364","0.002","2724.7","0.19","100","","100","","","","","","","","","4","P 1","P 1","1","","<i>N</i>,<i>N</i>'-Bis(3β-acetoxy-5α-cholest-6-ylidene)hydrazine","","- C58 H96 N2 O4 -","- C58 H96 N2 O4 -","- C116 H192 N4 O8 -","2","2","RZ2546","Tabassum, Zishan; Sulaiman, Othman; Ibrahim, M. N. Mohamad; Quah, Ching Kheng; Fun, Hoong-Kun","<i>N</i>,<i>N</i>'-Bis(3β-acetoxy-5α-cholest-6-ylidene)hydrazine","Acta Crystallographica Section E","2011","67","2","o522","o523","10.1107/S1600536811003254","","","1.54178","CuKα","","0.065","0.0572","","","0.1397","0.151","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229269","12.4512","0.0005","13.1805","0.0005","13.4065","0.0006","93.856","0.001","116.331","0.001","116.45","0.001","1666.58","0.12","100","2","100","2","","","","","","","","6","P 1","P 1","1","","Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate","","- C24 H60 N20 O50 Si W12 -","- C24 H60 N20 O50 Si W12 -","- C24 H60 N20 O50 Si W12 -","1","1","XU5096","Yousefi, Mohammad; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Gholizadeh, Ahmad; Nikpour, Mohsen","Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate","Acta Crystallographica Section E","2011","67","2","m271","m272","10.1107/S1600536811001772","","","0.71073","MoKα","","0.0342","0.0311","","","0.0603","0.0616","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229364","4.9461","0.0004","6.0134","0.0004","6.6853","0.0005","101.833","0.004","93.533","0.003","92.112","0.004","194","0.03","110","2","110","2","","","","","","","","5","P 1","P 1","1","L-Alanine methyl ester hydrochloride monohydrate","(2R)-1-methoxy-1-oxopropan-2-aminium chloride monohydrate","","- C4 H12 Cl N O3 -","- C4 H12 Cl N O3 -","- C4 H12 Cl N O3 -","1","1","EZ2229","Lutz, Martin; Schouten, Arie","<small>L</small>-Alanine methyl ester hydrochloride monohydrate","Acta Crystallographica Section E","2011","67","3","o586","","10.1107/S160053681100420X","","","0.71073","MoKα","","0.0156","0.0153","","","0.0423","0.0425","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229383","8.66","0.01","11.3","0.01","14.55","0.01","85.74","0.05","89.13","0.05","88.16","0.05","1419","2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","2,2,5,7,8-Pentamethylchroman-6-yl 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranoside","","- C28 H38 O11 -","- C28 H38 O11 -","- C56 H76 O22 -","2","2","GK2341","Brzezinski, Krzysztof; Wałejko, Piotr; Baj, Aneta; Witkowski, Stanisław; Dauter, Zbigniew","2,2,5,7,8-Pentamethylchroman-6-yl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside from synchrotron data","Acta Crystallographica Section E","2011","67","3","o718","","10.1107/S160053681100626X","","","0.5904","synchrotron","","0.0505","0.0448","","","0.1135","0.1184","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229629","5.7868","0.0002","8.9166","0.0003","11.4716","0.0003","102.473","0.003","93.481","0.002","102.78","0.003","559.96","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","","4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-D-glucopyranoside","","- C21 H24 O11 -","- C21 H24 O11 -","- C21 H24 O11 -","1","1","EZ2235","Heidelberg, Thorsten; Hussen, Rusnah Syahila Duali; Rodzi, Nasrul Zamani Mohd; Ng, Seik Weng; Tiekink, Edward R. T.","4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2011","67","4","o825","","10.1107/S1600536811008099","","","1.54184","CuKα","","0.041","0.041","","","0.115","0.115","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229673","5.7301","0.0004","6.3493","0.0003","6.4964","0.0004","92.863","0.002","97.223","0.001","108.258","0.002","221.67","0.02","296","2","296","2","","","","","","","","3","P 1","P 1","1","","2-[(1<i>R</i>*,4<i>R</i>*)-1,4-dihydroxycyclohexyl]acetic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C8 H14 O4 -","1","1","HB5819","Arfan, Mohammad; Hussain, Syed Hamid; Tahir, M. Nawaz; Rafique, Jamal; Shaheen, Farzana","2-[(1<i>R</i>*,4<i>R</i>*)-1,4-Dihydroxycyclohexyl]acetic acid","Acta Crystallographica Section E","2011","67","4","o968","","10.1107/S1600536811010397","","","0.71073","MoKα","","0.0445","0.0371","","","0.0875","0.0908","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2230318","5.3221","0.0002","5.8369","0.0002","10.5564","0.0005","98.2","0.003","90.78","0.003","96.849","0.003","322.1","0.02","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(<i>S</i>)-2-[(2-Hydroxybenzyl)azaniumyl]-4-(methylsulfanyl)butanoate","","- C12 H17 N O3 S -","- C12 H17 N O3 S -","- C12 H17 N O3 S -","1","1","FY2002","Brancatelli, Giovanna; Bruno, Giuseppe; Nicoló, Francesco; Canfora, Loredana; Ruisi, Giuseppe","(<i>S</i>)-2-[(2-Hydroxybenzyl)azaniumyl]-4-(methylsulfanyl)butanoate","Acta Crystallographica Section E","2011","67","6","o1366","o1367","10.1107/S1600536811016564","","","0.71073","MoKα","","0.0719","0.059","","","","0.179","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230319","4.6051","0.0002","6.0189","0.0002","22.2172","0.0008","88.393","0.002","88.521","0.002","78.044","0.002","602.09","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","4,4'-Methylenebis{<i>N</i>-[(<i>E</i>)-quinolin-2-ylmethylidene]aniline}","","- C33 H24 N4 -","- C33 H24 N4 -","- C33 H24 N4 -","1","1","FY2004","Djamel, Daoud; Tahar, Douadi; Djahida, Haffar; Hanane, Hammani; Salah, Chafaa","4,4'-Methylenebis{<i>N</i>-[(<i>E</i>)-quinolin-2-ylmethylidene]aniline}","Acta Crystallographica Section E","2011","67","6","o1318","","10.1107/S1600536811016011","","","0.71073","MoKα","","0.0407","0.0348","","","0.0833","0.0867","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230583","5.842","0.0002","7.3366","0.0002","12.7922","0.0003","74.56","0.001","83.091","0.001","68.93","0.001","492.97","0.02","293","2","293","2","","","","","","","","3","P 1","P 1","1","","Androstane-3β,5α,6β,17β-tetrol trihydrate","","- C19 H38 O7 -","- C19 H38 O7 -","- C19 H38 O7 -","1","1","BT5554","Andrade, L. C. R.; de Almeida, M. J. B. M.; Paixão, J. A.; Carvalho, J. F. S.; Sá e Melo, M. L.","Androstane-3β,5α,6β,17β-tetrol trihydrate","Acta Crystallographica Section E","2011","67","7","o1643","o1644","10.1107/S1600536811021349","","","0.71073","MoKα","","0.0327","0.0311","","","0.0813","0.0824","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230680","5.3323","0.0004","5.72","0.0004","14.3319","0.001","79.919","0.004","83.686","0.004","76.505","0.004","417.41","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","","<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)- 4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","","- C16 H23 N3 O5 -","- C16 H23 N3 O5 -","- C16 H23 N3 O5 -","1","1","HB5921","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>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","Acta Crystallographica Section E","2011","67","7","o1805","o1806","10.1107/S1600536811024263","","","0.71073","MoKα","","0.0653","0.051","","","0.1033","0.1133","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230683","4.6804","0.0004","5.6037","0.0007","16.946","0.002","95.669","0.006","95.886","0.007","94.467","0.006","438.2","0.08","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2- chlorobenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate","","- C18 H18 Cl N3 O4 -","- C18 H18 Cl N3 O4 -","- C18 H18 Cl N3 O4 -","1","1","HB5927","de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2-chlorobenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate","Acta Crystallographica Section E","2011","67","7","o1868","o1869","10.1107/S1600536811024895","","","0.71073","MoKα","","0.1126","0.0704","","","0.1632","0.1959","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231115","3.8649","0.0002","6.5233","0.0003","12.1703","0.0006","91.374","0.004","95.914","0.004","103.483","0.004","296.43","0.03","100","1","100","1","","","","","","","","4","P 1","P 1","1","","(<i>E</i>)-2-(4-Chlorobenzylidene)indan-1-one","","- C16 H11 Cl O -","- C16 H11 Cl O -","- C16 H11 Cl O -","1","1","HB5928","Ali, Mohamed Ashraf; Choon, Tan Soo; Lan, Lim Yee; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-2-(4-Chlorobenzylidene)indan-1-one","Acta Crystallographica Section E","2011","67","8","o2064","","10.1107/S1600536811027589","","","0.71073","MoKα","","0.0477","0.0458","","","0.1215","0.1243","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231121","5.3101","0.0014","5.7301","0.0013","14.651","0.004","80.364","0.016","84.788","0.011","74.845","0.015","423.7","0.19","120","2","120","2","","","","","","","","4","P 1","P 1","1","","<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-2-hydroxy-4- methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","1","1","HB5936","Wardell, James L.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.","<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(<i>E</i>)-2-hydroxy-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","Acta Crystallographica Section E","2011","67","8","o1888","o1889","10.1107/S1600536811025293","","","0.71073","MoKα","","0.0745","0.0619","","","0.1494","0.1582","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231595","10.4847","0.0002","10.8571","0.0003","14.8431","0.0003","77.447","0.001","82.283","0.001","85.908","0.001","1632.76","0.06","100","2","100","2","","","","","","","","3","P 1","P 1","1","","1,2-Bis{[3,5-bis(2,6-diisopropylphenyl)phenyl]imino}acenaphthene toluene monosolvate","","- C79 H88 N2 -","- C79 H88 N2 -","- C79 H88 N2 -","1","1","LH5296","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","1,2-Bis{[3,5-bis(2,6-diisopropylphenyl)phenyl]imino}acenaphthene toluene monosolvate","Acta Crystallographica Section E","2011","67","9","o2280","","10.1107/S1600536811031242","","","1.54178","CuKα","","0.06","0.0589","","","0.1618","0.1631","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231842","7.7191","0.0002","8.51","0.0002","9.963","0.0002","79.971","0.001","67.663","0.001","64.605","0.001","546.81","0.02","133","2","133","2","","","","","","","","4","P 1","P 1","1","","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)-1-Benzyloxy-13,14- didehydro-12-hydroxy-2,13-dimethoxy-<i>N</i>-methylmorphinane","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C26 H31 N O4 -","1","1","BX2370","Zheng, Xing-Liang; Jiang, Ning-Fei; Luo, Dan; Gao, Hong-Sheng; Ding, Ai-Shun","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)-1-Benzyloxy-13,14-didehydro-12-hydroxy-2,13-dimethoxy-<i>N</i>-methylmorphinane","Acta Crystallographica Section E","2011","67","10","o2662","o2663","10.1107/S1600536811037226","","","1.54178","CuKα","","0.0285","0.0284","","","0.0752","0.0752","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231844","7.8614","0.0004","9.41","0.0006","11.8477","0.0007","85.783","0.002","78.159","0.002","89.45","0.002","855.46","0.09","296","1","296","1","","","","","","","","6","P 1","P 1","1","","<i>N</i>-[1-(3-Chlorophenyl)-1-oxopropan-2-yl]-<i>tert</i>-butanaminium bromide propanol hemisolvate","","- C14.5 H23 Br Cl N O1.5 -","- C14.5 H23 Br Cl N O1.5 -","- C29 H46 Br2 Cl2 N2 O3 -","2","2","BX2372","Liu, Min; Hu, Xiu-Rong; Gu, Jian-Ming; Tang, Gu-Ping","Bupropion hydrobromide propanol hemisolvate","Acta Crystallographica Section E","2011","67","10","o2772","","10.1107/S1600536811037093","","","0.71073","MoKα","","0.0942","0.0427","","","0.0882","0.138","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232092","4.8858","0.0003","5.1605","0.0004","13.3651","0.0009","93.725","0.006","99.734","0.006","104.245","0.006","319.9","0.04","200","","200","2","","","","","","","","5","P 1","P 1","1","Palladium di(hydrogen L-glutamate)","Bis(hydrogen L-glutamato)palladium(II)","","- C10 H16 N2 O8 Pd -","- C10 H16 N2 O8 Pd -","- C10 H16 N2 O8 Pd -","1","1","WM2526","Seifert, Antje; Wagner, Christoph; Merzweiler, Kurt","Bis(hydrogen <small>L</small>-glutamato)palladium(II)","Acta Crystallographica Section E","2011","67","10","m1362","","10.1107/S1600536811035860","","","0.71073","MoKα","","0.0298","0.0292","","","0.066","0.0663","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232110","6.728","0.0003","10.6406","0.0005","15.3127","0.0007","91.7293","0.0014","91.1313","0.0013","100.882","0.0013","1075.67","0.09","296","1","296","1","","","","","","","","6","P 1","P 1","1","","7-[(1<i>S</i>,6<i>S</i>)-8-aza-2-azoniabicyclo[4.3.0]non-8-yl]-1-cyclopropyl-6- fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride monohydrate","","- C21 H27 Cl F N3 O5 -","- C21 H27 Cl F N3 O5 -","- C42 H54 Cl2 F2 N6 O10 -","2","2","XU5322","Qian, Jing-Jing; Gu, Jian-Ming; Shen, Jin; Hu, Xiu-Rong; Wu, Su-Xiang","Moxifloxacinium chloride monohydrate","Acta Crystallographica Section E","2011","67","10","o2773","o2774","10.1107/S160053681103707X","","","0.71073","MoKα","","0.0678","0.039","","","0.0895","0.1177","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232787","7.1961","0.0003","9.6892","0.0004","15.6136","0.0005","84.76","0.006","83.045","0.005","88.619","0.005","1076.03","0.07","173","2","173","2","","","","","","","","6","P 1","P 1","1","","Bis[(2<i>R</i>,6<i>S</i>)-4-(5-amino-3-carboxy-1-cyclopropyl-6,8-difluoro- 4-oxo-1,4-dihydroquinolin-7-yl)-2,6-dimethylpiperazin-1-ium] sulfate pentahydrate","","- C38 H56 F4 N8 O15 S -","- C38 H56 F4 N8 O15 S -","- C38 H56 F4 N8 O15 S -","1","1","IM2333","Li, Tao; Yang, Lin; Wang, Yuan Cheng; Lian, Qiang","Bis[(2<i>R</i>,6<i>S</i>)-4-(5-amino-3-carboxy-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2,6-dimethylpiperazin-1-ium] sulfate pentahydrate","Acta Crystallographica Section E","2011","67","12","o3366","o3367","10.1107/S160053681104757X","","","0.71073","MoKα","","0.0434","0.0386","","","0.0841","0.0858","","","","","","0.97","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233340","6.7523","0.0003","8.2926","0.0003","9.7297","0.0004","100.63","0.003","90.885","0.003","99.168","0.003","528.05","0.04","297.1","","297.1","","","","","","","","","6","P 1","P 1","1","","Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate","","- C6 H24 F2 N12 O10 P2 -","- C6 H24 F2 N12 O10 P2 -","- C6 H24 F2 N12 O10 P2 -","1","1","ZJ2040","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate","Acta Crystallographica Section E","2012","68","1","o47","o48","10.1107/S1600536811051683","","","0.7107","MoKα","","0.0359","0.0303","","","0.0661","0.0684","","","","","","1.52","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233411","5.1786","0.0002","15.3176","0.0005","20.3554","0.0014","98.495","0.007","92.109","0.007","91.12","0.006","1595.36","0.14","123","2","123","2","","","","","","","","4","P 1","P 1","1","","(9<i>H</i>-Fluoren-9-yl)methyl <i>N</i>-{(2<i>R</i>,3<i>R</i>,4<i>S</i>)- 4-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-5- oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate","","- C30 H37.667 N O6.333 -","- C30.0005 H37.668 N O6.3335 -","- C60.001 H75.336 N2 O12.667 -","2","2","CV5219","Gainsford, Graeme J.; Luxenburger, Andreas","(9<i>H</i>-Fluoren-9-yl)methyl <i>N</i>-{(2<i>R</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-5-oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate","Acta Crystallographica Section E","2012","68","2","o403","o404","10.1107/S1600536811055139","","","1.54178","CuKα","","0.1188","0.0952","","","0.2311","0.2605","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233875","9.2108","0.0018","9.7453","0.0019","11.354","0.002","103.01","0.03","104.59","0.03","105.09","0.03","905","0.4","200","2","200","2","","","","","","","","6","P 1","P 1","1","","(+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2- diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate","","- C45 H36 Cl O2 P2 Rh -","- C45 H36 Cl O2 P2 Rh -","- C45 H36 Cl O2 P2 Rh -","1","1","HY2508","Meissner, Antje; Selle, Carmen; Drexler, Hans-Joachim; Heller, Detlef","(+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2-diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate","Acta Crystallographica Section E","2012","68","3","m259","","10.1107/S1600536812003418","","","0.71073","MoKα","","0.0305","0.0266","","","0.0428","0.0432","","","","","","0.955","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235119","9.8575","0.0002","16.8894","0.0003","18.9812","0.0004","110.444","0.001","96.082","0.001","93.384","0.001","2928.74","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","Dibenzylazanium (oxalato-κ^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)","","- C34 H31 N O4 Sn -","- C34 H31 N O4 Sn -","- C136 H124 N4 O16 Sn4 -","4","4","KP2394","Gueye, Ndongo; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabrielle","Dibenzylazanium (oxalato-κ^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)","Acta Crystallographica Section E","2012","68","6","m854","m855","10.1107/S1600536812021125","","","0.71073","MoKα","","0.0406","0.0311","","","0.0662","0.0702","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235648","9.4557","0.0007","11.058","0.0006","11.0715","0.0008","113.187","0.006","99.919","0.006","92.815","0.005","1039.46","0.13","200","","200","","","","","","","","","4","P 1","P 1","1","","Dicyclohexylammonium (<i>S</i>)-2-azido-3-phenylpropanoate","","- C21 H32 N4 O2 -","- C21 H32 N4 O2 -","- C42 H64 N8 O4 -","2","2","TK5110","Petrik, Sebastian J.; Brown, Christopher L.; Boyd, Sue E.; Healy, Peter C.","Dicyclohexylammonium (<i>S</i>)-2-azido-3-phenylpropanoate","Acta Crystallographica Section E","2012","68","7","o2050","","10.1107/S1600536812025536","","","0.7107","MoKα","","0.0488","0.0415","","","0.0959","0.1002","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236196","5.0734","0.0011","11.618","0.002","14.718","0.003","87.388","0.013","86.595","0.015","89.78","0.015","865.1","0.3","296","2","296","2","","","","","","","","3","P 1","P 1","1","","(3<i>S</i>,7<i>R</i>)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12- decahydro-1<i>H</i>-2-benzoxacyclotetradecin-1-one.","","- C18 H26 O5 -","- C18 H26 O5 -","- C36 H52 O10 -","2","2","FJ2595","Drzymala, Sarah; Kraus, Werner; Emmerling, Franziska; Koch, Matthias","(3<i>S</i>,7<i>R</i>)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1<i>H</i>-2-benzoxacyclotetradecin-1-one.","Acta Crystallographica Section E","2012","68","11","o3071","","10.1107/S1600536812041141","","","0.71073","MoKα","","0.0752","0.0586","","","0.1379","0.1474","","","","","","0.952","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236315","5.8542","0.0012","9.0365","0.0018","11.352","0.002","108.59","0.03","93.94","0.03","101.23","0.03","552.8","0.2","294","2","294","2","","","","","","","","4","P 1","P 1","1","","Benzyl 2-benzyl-4-[(3a<i>S</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-isoindol-2-yl]-4-oxobutanoate","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C26 H31 N O3 -","1","1","HG5245","Shang, Zhenhua; Xu, Longpeng; Zheng, Ligang; Zhang, Yong","Benzyl 2-benzyl-4-[(3a<i>S</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-isoindol-2-yl]-4-oxobutanoate","Acta Crystallographica Section E","2012","68","10","o2853","","10.1107/S1600536812037567","","","0.71073","MoKα","","0.0673","0.0428","","","0.0929","0.1056","","","","","","0.888","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236560","7.3627","0.0008","9.031","0.0008","9.1854","0.0009","101.741","0.008","110.778","0.01","96.321","0.008","547.89","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","(Collidinium)2 ZnBr4","Bis(2,4,6-trimethylpyridinium) tetrabromidozincate","","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","1","1","PV2593","Ali, Basem F.; Haddad, Salim F.; Al-Far, Rawhi","Bis(2,4,6-trimethylpyridinium) tetrabromidozincate","Acta Crystallographica Section E","2012","68","11","m1320","","10.1107/S1600536812040925","","","0.71073","MoKα","","0.0615","0.0536","","","0.1317","0.1402","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236604","4.0656","0.0006","7.7855","0.0011","12.242","0.0017","96.263","0.003","91.38","0.003","97.228","0.003","381.84","0.09","273","2","273","2","","","","","","","","6","P 1","P 1","1","","5-Chloro-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole","","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","1","1","RZ5005","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","5-Chloro-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","10","o3057","","10.1107/S1600536812039372","","","0.71073","MoKα","","0.0369","0.034","","","0.0773","0.0797","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236837","5.7806","0.0006","7.9407","0.0007","9.6089","0.0009","82.579","0.007","76.793","0.007","83.51","0.007","424.21","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(2<i>E</i>)-1-Phenyl-2-[1-(2-phenylprop-2-en-1-yl)pyrrolidin-2-ylidene]ethanone","","- C21 H21 N O -","- C21 H21 N O -","- C21 H21 N O -","1","1","CV5350","Madeley, Lee G.; Morgans, Garreth L.; Lemmerer, Andreas; Michael, Joseph P.","(2<i>E</i>)-1-Phenyl-2-[1-(2-phenylprop-2-en-1-yl)pyrrolidin-2-ylidene]ethanone","Acta Crystallographica Section E","2012","68","12","o3281","","10.1107/S1600536812044443","","","0.71073","MoKα","","","0.0435","","","","0.1188","","","","","","0.982","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237013","8.7816","0.0018","9.1233","0.0018","14.773","0.003","96.66","0.03","107.15","0.03","90.83","0.03","1121.8","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(±)-1-(1-Allyl-1<i>H</i>-benzimidazol-2-yl)ethanol","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","4","RZ5017","Li, Dong-Ping; Li, Min; Li, Shuai; Hu, Hang-Na","(±)-1-(1-Allyl-1<i>H</i>-benzimidazol-2-yl)ethanol","Acta Crystallographica Section E","2012","68","12","o3254","","10.1107/S1600536812044340","","","0.71073","MoKα","","0.0872","0.0548","","","0.1129","0.1281","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237656","10.4595","0.0002","11.902","0.0003","12.6423","0.0003","69.439","0.001","70.466","0.001","67.058","0.001","1320.95","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Bis{(<i>R</i>)-1-(3-aminosulfonyl-4-methoxyphenyl)-<i>N</i>-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate","","- C46 H74 N4 O18 S2 -","- C46 H74 N4 O18 S2 -","- C46 H74 N4 O18 S2 -","1","1","LD2093","Ham, Zoran; Meden, Anton; Kasunič, Marta","Bis{(<i>R</i>)-1-(3-aminosulfonyl-4-methoxyphenyl)-<i>N</i>-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate","Acta Crystallographica Section E","2013","69","4","o516","o517","10.1107/S1600536813005254","","","0.71073","MoKα","","0.0667","0.0472","","","0.1268","0.1431","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237906","12.4517","0.0003","13.268","0.0004","15.1666","0.0011","113.527","0.008","98.425","0.007","108.557","0.008","2067.3","0.3","200","2","200","2","","","","","","","","6","P 1","P 1","1","","<i>cyclo</i>-Tetrakis(μ~2~-<i>D</i>-penicillaminato-κ^4^<i>N</i>,<i>S</i>:<i>O</i>,<i>S</i>)tetrapalladium(II) 9.75-hydrate","","- C20 H55.5 N4 O17.75 Pd4 S4 -","- C20 H55.5 N4 O17.75 Pd4 S4 -","- C40 H111 N8 O35.5 Pd8 S8 -","2","2","IS5266","Yokoi, Anzu; Yoshinari, Nobuto; Konno, Takumi","<i>cyclo</i>-Tetrakis(μ~2~-<small>D</small>-penicillaminato-κ^4^<i>N</i>,<i>S</i>:<i>O</i>,<i>S</i>)tetrapalladium(II) 9.75-hydrate","Acta Crystallographica Section E","2013","69","5","m288","m289","10.1107/S160053681301088X","","","0.71075","MoKα","","0.0259","0.025","","","0.0614","0.0621","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237919","7.05","0.003","7.442","0.003","10.334","0.004","85.166","0.006","86.22","0.006","64.682","0.004","488.1","0.3","105.15","","105.15","","","","","","","","","5","P 1","P 1","1","(2<i>S</i>)-<i>N</i>-(Selenoacetyl)proline methyl ester","Methyl (2<i>S</i>)-1-ethaneselenoylpyrrolidine-2-carboxylate","","- C8 H13 N O2 Se -","- C8 H13 N O2 Se -","- C16 H26 N2 O4 Se2 -","2","2","KJ2221","Guzei, Ilia A.; Choudhary, Amit; Raines, Ronald T.","Pyramidalization of a carbonyl C atom in (2<i>S</i>)-<i>N</i>-(selenoacetyl)proline methyl ester","Acta Crystallographica Section E","2013","69","5","o805","o806","10.1107/S1600536813011112","","","0.71073","MoKα","","0.0516","0.0505","","","0.1336","0.1349","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238024","10.6095","0.0005","12.387","0.0004","14.6878","0.0004","101.376","0.003","93.421","0.003","101.996","0.003","1840.79","0.12","99.95","0.1","99.95","0.1","","","","","","","","6","P 1","P 1","1","","(</i>S</i>)-α-Benzylprolinium <i>cis</i>-[(</i>S</i>)-α-benzylprolinato]dichloridopalladium(II)","","- C24 H30 Cl2 N2 O4 Pd -","- C24 H30 Cl2 N2 O4 Pd -","- C72 H90 Cl6 N6 O12 Pd3 -","3","3","SJ5316","Hobart, Jr, David B.; Merola, Joseph S.","(<i>S</i>)-α-Benzylprolinium <i>cis</i>-[(<i>S</i>)-α-benzylprolinato]dichloridopalladium(II)","Acta Crystallographica Section E","2013","69","5","m261","m262","10.1107/S1600536813009525","","","0.71073","MoKα","","0.047","0.0388","","","0.0779","0.0823","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238100","6.6842","0.0004","9.6173","0.0006","25.4682","0.0015","95.78","0.003","95.669","0.003","90.028","0.003","1620.82","0.17","93","2","93","2","","","","","","","","4","P 1","P 1","1","","5-(Naphthalen-1-yl)isophthalic acid‒dimethyl sulfoxide‒water (2/1/2)","","- C19 H17 O5.5 S0.5 -","- C19 H17 O5.5 S0.5 -","- C76 H68 O22 S2 -","4","4","YK2092","Vetter, Antje; Seichter, Wilhelm; Weber, Edwin","5-(Naphthalen-1-yl)isophthalic acid‒dimethyl sulfoxide‒water (2/1/2)","Acta Crystallographica Section E","2013","69","6","o912","o913","10.1107/S1600536813012361","","","0.71073","MoKα","","0.0612","0.0452","","","0.0924","0.0995","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238660","5.503","0.004","8.113","0.001","9.122","0.002","99.65","0.02","103.69","0.03","98.86","0.02","382","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","3methyl-DAG","1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-α-<i>D</i>-allofuranose","","- C13 H22 O6 -","- C13 H22 O6 -","- C13 H22 O6 -","1","1","PK2484","da Forezi, Luana; Silva, Marcos Moitrel Pequeno; da Santos, Fernanda; Ferreira, Vitor Francisco; Souza, Maria Cecília Bastos Vieira de","1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-α-<small>D</small>-allofuranose","Acta Crystallographica Section E","2013","69","10","o1512","","10.1107/S1600536813022447","","","0.71073","MoKα","","0.0687","0.046","","","","0.1304","","","","","","1.042","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238705","6.5835","0.0002","9.2584","0.0003","12.8428","0.0005","85.14","0.003","84.795","0.003","89.067","0.003","776.74","0.05","180","2","180","2","","","","","","","","4","P 1","P 1","1","","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>S</i>)-5,5-Dichloro-1,4,8,8-tetramethyltricyclo[5.4.1^1,7^.0^4,6^]dodecan-12-one","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C32 H48 Cl4 O2 -","2","2","BT6937","Benharref, Ahmed; EL Karroumi, Jamal; Daran, Jean-Claude; Berraho, Moha","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>S</i>)-5,5-Dichloro-1,4,8,8-tetramethyltricyclo[5.4.1^1,7^.0^4,6^]dodecan-12-one","Acta Crystallographica Section E","2013","69","11","o1703","","10.1107/S1600536813028791","","","0.71073","MoKα","","0.0366","0.0303","","","0.0685","0.0702","","","","","","1.045","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238861","4.9248","0.0002","5.5117","0.0002","16.3894","0.0007","83.721","0.002","89.038","0.002","86.765","0.002","441.48","0.03","115","","115","","","","","","","","","6","P 1","P 1","1","","(-)-(<i>S</i>)-<i>N</i>-Benzyl-2-[(<i>R</i>)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide","","- C18 H21 Br F N O2 -","- C18 H21 Br F N O2 -","- C18 H21 Br F N O2 -","1","1","GW2140","Rousselin, Yoann; Laureano, Hugo; Clavel, Alexandre","A triclinic polymorph of ({-})-(<i>S</i>)-<i>N</i>-benzyl-2-[(<i>R</i>)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide","Acta Crystallographica Section E","2013","69","12","o1794","o1795","10.1107/S1600536813030377","","","0.71073","MoKα~1~","","0.021","0.0209","","","0.0522","0.0523","","","","","","1.114","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238980","5.6684","0.0016","8.601","0.003","10.336","0.003","87.72","0.019","85.696","0.017","85.649","0.017","500.8","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","enaminone propanoic acid","(<i>S</i>,<i>Z</i>)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate","","- C17 H20 Cl3 N O6 -","- C17 H20 Cl3 N O6 -","- C17 H20 Cl3 N O6 -","1","1","PK2509","Flores, Alex Fabiani Claro; de Vicenti, Juliano Rosa; Pizzuti, Lucas; Campos, Patrick Teixeira","(<i>S</i>,<i>Z</i>)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate","Acta Crystallographica Section E","2014","70","2","o169","o170","10.1107/S1600536814000154","","","0.71073","MoKα","","0.0525","0.0396","","","0.0966","0.1046","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239065","5.2602","0.0004","7.157","0.0006","9.0126","0.001","84.533","0.008","83.4","0.008","78.679","0.007","329.57","0.05","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol","","- C11 H12 F I N4 O3 -","- C11 H12 F I N4 O3 -","- C11 H12 F I N4 O3 -","1","1","KP2461","Li, Wei; Yang, Ruchun; Xiao, Qiang","(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol","Acta Crystallographica Section E","2014","70","2","o120","","10.1107/S1600536813034995","","","0.71073","MoKα","","0.0345","0.0345","","","0.1012","0.1012","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239167","4.2117","0.0005","6.1891","0.0007","10.0641","0.0011","100.59","0.009","94.916","0.009","104.589","0.01","247.14","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","","4-Amino-3-(4-hydroxybenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C9 H10 N4 O S -","- C9 H10 N4 O S -","- C9 H10 N4 O S -","1","1","SU2674","Sarojini, B. K.; Manjula, P. S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.","4-Amino-3-(4-hydroxybenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","1","o48","o49","10.1107/S1600536813033370","","","0.71073","MoKα","","0.0426","0.0407","","","0.0991","0.1024","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239270","8.6763","0.0004","9.1233","0.0004","19.1545","0.0006","86.328","0.003","82.578","0.002","67.903","0.002","1392.87","0.1","299","2","299","2","","","","","","","","3","P 1","P 1","1","","Methyl 6-<i>O</i>-trityl-α-D-glucopyranoside methanol disolvate","","- C28 H36 O8 -","- C28 H36 O8 -","- C56 H72 O16 -","2","2","XU5777","Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer","Methyl 6-<i>O</i>-trityl-α-<small>D</small>-glucopyranoside methanol disolvate","Acta Crystallographica Section E","2014","70","4","o492","o493","10.1107/S1600536814006461","","","0.71073","MoKα","","0.0393","0.035","","","0.0928","0.096","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239310","6.655","0.0003","9.4142","0.0004","12.9389","0.0013","86.008","0.006","83.921","0.006","89.511","0.004","804.13","0.1","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>R</i>)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.0^4,6^]dodecan-12-one","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C32 H48 Br4 O2 -","2","2","BT6972","Zaki, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>R</i>)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.0^4,6^]dodecan-12-one","Acta Crystallographica Section E","2014","70","5","o526","","10.1107/S1600536814007351","","","0.71073","MoKα","","0.0717","0.0537","","","0.1082","0.1185","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239928","7.176","0.003","9.9359","0.0018","10.716","0.002","117.528","0.005","104.792","0.007","91.701","0.007","645.3","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","2-Amino-4-methylpyridin-1-ium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate monohydrate","","- C10 H16 N2 O7 -","- C10 H16 N2 O7 -","- C20 H32 N4 O14 -","2","2","","Jovita, J. V.; Sathya, S.; Usha, G.; Vasanthi, R.; Ramanand, A.","Crystal structure of 2-amino-4-methylpyridin-1-ium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate monohydrate","Acta Crystallographica Section E","2014","70","9","o1036","o1037","10.1107/S160053681401842X","","","0.71073","MoKα","","0.0327","0.0309","","","0.0869","0.0884","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240390","5.7708","0.0002","8.0867","0.0003","19.6929","0.0008","81.844","0.002","86.664","0.003","85.662","0.003","906.05","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(<i>E</i>)-1-[4-({4-[(4-Methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C44 H38 N2 O4 S2 -","2","2","","Hebbachi, Rabihe; Djedouani, Amel; Kadri, Soumia; Mousser, Hénia; Mousser, Abdelhamid","Crystal structure of (<i>E</i>)-1-[4-({4-[(4-methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one","Acta Crystallographica Section E","2015","71","2","o109","o110","10.1107/S205698901500033X","","","0.71073","MoKα","","0.0574","0.0394","","","0.0697","0.0764","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240981","8.808","0.0008","9.5032","0.0008","16.9321","0.0014","84.237","0.002","81.674","0.002","85.652","0.003","1392.6","0.2","100","","100","","","","","","","","","6","P 1","P 1","1","","Bis[4'-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-2,2':6',2''-terpyridine]cobalt(III) tris(perchlorate) methanol monosolvate monohydrate","","- C51 H66 Cl3 Co N8 O22 -","- C51 H66 Cl3 Co N8 O22 -","- C51 H66 Cl3 Co N8 O22 -","1","1","IS5400","Ohmagari, Hitomi; Nakaya, Manabu; Ohtani, Ryo; Nakamura, Masaaki; Hayami, Shinya","Crystal structure of bis[4'-(1,4,7,10-tetraoxa-13- azacyclopentadecan-13-yl)-2,2':6',2''-terpyridine]cobalt(III) tris(perchlorate) methanol monosolvate monohydrate","Acta Crystallographica Section E","2015","71","8","997","999","10.1107/S2056989015014164","","","0.71075","MoKα","","0.1362","0.0856","","","0.2146","0.2561","","","","","","1.035","","","","has coordinates,has Fobs","153038","2020-10-21","18:00:00",""
"2241102","9.2194","0.0006","10.8908","0.0006","11.8698","0.0007","63.489","0.002","86.467","0.002","89.069","0.002","1064.38","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Phenyl (<i>S</i>)-2-[(<i>S</i>)-(1-{2-[(<i>S</i>)-(1-{[(<i>tert</i>-butoxy)carbonyl]amino}bicyclo[2.2.2]octan-2-yl)formamido]propanamido}bicyclo[2.2.2]octan-2-yl)formamido]-3-phenylpropanoate chloroform monosolvate","","- C43 H57 Cl3 N4 O7 -","- C43 H57 Cl3 N4 O7 -","- C43 H57 Cl3 N4 O7 -","1","1","IS5415","Wenger, Emmanuel; Moulat, Laure; Legrand, Baptiste; Amblard, Muriel; Calmès, Monique; Didierjean, Claude","Crystal structure of Boc-(<i>S</i>)-ABOC-(<i>S</i>)-Ala-(<i>S</i>)-ABOC-(<i>S</i>)-Phe-OBn chloroform monosolvate","Acta Crystallographica Section E","2015","71","10","1193","1195","10.1107/S2056989015016941","","","0.71073","MoKα","","0.0448","0.0383","","","","0.0869","","","","","","1.079","","","","has coordinates,has Fobs","158357","2020-10-21","18:00:00",""
"2241287","7.6194","0.0003","9.2982","0.0004","12.2341","0.0008","94.597","0.004","103.178","0.004","94.222","0.003","837.43","0.08","294.2","0.8","294.2","0.8","","","","","","","","5","P 1","P 1","1","","(<i>S</i>)-(+)-Dichlorido[1-(4-methylphenyl)-<i>N</i>-(pyridin-2-ylmethylidene)ethylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","","- C15 H16 Cl2 Hg N2 -","- C15 H16 Cl2 Hg N2 -","- C30 H32 Cl4 Hg2 N4 -","2","2","RZ5175","Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René","Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand","Acta Crystallographica Section E","2015","71","12","1462","1466","10.1107/S2056989015020368","","","0.71073","MoKα","","0.0653","0.0361","","","0.0504","0.0586","","","","","","0.981","","","","has coordinates,has Fobs","170170","2020-10-21","18:00:00",""
"2241559","5.9093","0.0004","7.6258","0.0005","12.657","0.0008","87.802","0.005","78.329","0.005","87.427","0.005","557.76","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","2,5-Bis[(<i>S</i>)-(+)-(1,2,3,4-tetrahydro-1-naphthyl)imino]thiophene","","- C26 H26 N2 S -","- C26 H26 N2 S -","- C26 H26 N2 S -","1","1","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","","0.0859","0.0576","","","0.1104","0.1265","","","","","","1.022","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241637","4.8558","0.0007","5.8496","0.001","8.795","0.0013","76.517","0.013","81.528","0.012","71.392","0.014","229.51","0.07","140","2","140","1","","","","","","","","5","P 1","P 1","1","","Sodium (1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate","","- C5 H11 Na O8 S -","- C5 H11 Na O8 S -","- C5 H11 Na O8 S -","1","1","SJ5496","Haines, Alan H.; Hughes, David L.","Crystal structure of sodium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate","Acta Crystallographica Section E","2016","72","5","628","631","10.1107/S2056989016005375","","","0.71073","Mo-Kα","","0.024","0.0226","","","0.059","0.0592","","","","","","1.091","","","","has coordinates,has Fobs","181824","2020-10-21","18:00:00",""
"2241700","7.521","0.0001","13.3056","0.0003","14.8445","0.0004","69.283","0.001","76.336","0.002","85.759","0.002","1350.06","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","","- C27 H25 F9 N2 O4 -","- C27 H25 F9 N2 O4 -","- C54 H50 F18 N4 O8 -","2","2","HB7588","Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","A kryptoracemic salt: 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","Acta Crystallographica Section E","2016","72","6","872","877","10.1107/S2056989016008495","","","0.71073","MoKα","","0.0536","0.0455","","","0.0996","0.1079","","","","","","1.042","","","","has coordinates,has Fobs","183128","2020-10-21","18:00:00",""
"2242344","9.0184","0.0006","10.998","0.0008","11.2386","0.0008","63.426","0.002","74.414","0.003","78.144","0.002","955.56","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","rivaroxaban","(<i>S</i>)-5-Chloro-<i>N</i>-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide","","- C19 H18 Cl N3 O5 S -","- C19 H18 Cl N3 O5 S -","- C38 H36 Cl2 N6 O10 S2 -","2","2","XU5913","Shen, Jie; Tang, Gu-Ping; Hu, Xiu-Rong","Crystal structure of (<i>S</i>)-5-chloro-<i>N</i>-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide","Acta Crystallographica Section E","2018","74","1","51","54","10.1107/S2056989017017819","","","0.71073","MoKα","","0.0936","0.0452","","","0.1034","0.1489","","","","","","1.003","","","","has coordinates,has Fobs","205724","2020-10-21","18:00:00",""
"2242349","5.8008","0.0019","9.636","0.003","10.676","0.004","87.766","0.003","86.33","0.004","82.042","0.004","589.5","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","<i>N</i>-(1-Deoxy-β-<i>D</i>-fructopyranos-1-yl)-2-aminoisobutyric acid","","","- C10 H19 N O7 -","- C10 H19 N O7 -","- C20 H38 N2 O14 -","2","2","ZS2396","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Crystal structure and hydrogen bonding in <i>N</i>-(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)-2-aminoisobutyric acid","Acta Crystallographica Section E","2018","74","1","72","77","10.1107/S2056989017018060","","","0.71073","MoKα","","0.0342","0.0325","","","0.0796","0.0814","","","","","","1.028","","","","has coordinates,has Fobs","205729","2020-10-21","18:00:00",""
"2242496","9.8771","0.0007","12.6516","0.0008","12.8258","0.0008","81.058","0.001","83.05","0.001","68.335","0.001","1467.87","0.17","100","0.5","100","0.5","","","","","","","","5","P 1","P 1","1","","<i>trans</i>-Bis[1,2-bis(diphenylphosphane)benzene]dichloridoiron(III) tetrachloridoferrate(III) dichloromethane monosolvate","","- C61 H50 Cl8 Fe2 P4 -","- C61 H50 Cl8 Fe2 P4 -","- C61 H50 Cl8 Fe2 P4 -","1","1","PJ2052","McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.","Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands","Acta Crystallographica Section E","2018","74","6","803","807","10.1107/S2056989018006898","","","0.71073","MoKα","","0.1465","0.0727","","","0.1419","0.1823","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","207786","2020-10-21","18:00:00",""
"2242589","7.7292","0.001","7.9892","0.0009","11.2035","0.0013","108.3","0.007","92.553","0.007","101.499","0.008","639.36","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","Tebipenem","(2,2-Dimethylpropanoyloxy)methyl (4<i>R</i>,5<i>S</i>,6<i>S</i>)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-\ 3-yl]sulfanyl}-6-[(1<i>R</i>)-1-hydroxyethyl]-4-methyl-7-oxo-1-\ azabicyclo[3.2.0]hept-2-ene-2-carboxylate","","- C22 H31 N3 O6 S2 -","- C22 H31 N3 O6 S2 -","- C22 H31 N3 O6 S2 -","1","1","EX2010","Tang, Chao; Cai, Li; Liu, Shuai; Zheng, Zhiwei; Li, Gen; Chen, Jianli; Sui, Qiang","Crystal structure of tebipenem pivoxil","Acta Crystallographica Section E","2018","74","9","1215","1217","10.1107/S2056989018010770","","","1.54178","CuKα","","0.0472","0.0415","","","0.1133","0.1154","","","","","","1.044","","","","has coordinates,has Fobs","209714","2020-10-21","18:00:00",""
"2242621","14.7668","0.0002","15.5936","0.0002","17.227","0.0012","111.053","0.008","91.616","0.007","92.898","0.007","3692.7","0.3","123","2","123.15","","","","","","","","","4","P 1","P 1","1","(<i>S</i>)-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilylglycerol","3-[(<i>tert</i>-Butyldiphenylsilyl)oxy]propane-1,2-diol","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C152 H208 O24 Si8 -","8","8","ZL2734","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice","Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell","Acta Crystallographica Section E","2018","74","9","1373","1379","10.1107/S2056989018012021","","","0.71075","MoKα","","0.0403","0.0373","","","0.0951","0.0969","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","210290","2020-10-21","18:00:00",""
"2242622","14.7922","0.001","15.6306","0.001","17.2048","0.0011","110.901","0.002","91.705","0.002","92.851","0.002","3706.8","0.4","173","2","173.15","","","","","","","","","4","P 1","P 1","1","(S)-1-O-t-butyldiphenylsilylglycerol","(S)-1-O-t-butyldiphenylsilylpropane-2,3-diol","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C152 H208 O24 Si8 -","8","8","","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice","Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell","Acta Crystallographica Section E","2018","74","9","1373","1379","10.1107/S2056989018012021","","","0.71073","MoKα","","0.0604","0.0457","","","0.1095","0.1183","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","210290","2020-10-21","18:00:00",""
"2242941","7.154","0.0006","8.2591","0.0006","10.4459","0.0008","108.502","0.002","97.499","0.002","94.512","0.002","575.54","0.08","100","","100","","","","","","","","synthesised by authors, see text","6","P 1","P 1","1","","Di-μ-chlorido-bis[dichlorido(<i>L</i>-histidinium-κ<i>O</i>)cadmium(II)]","","- C12 H20 Cd2 Cl6 N6 O4 -","- C12 H20 Cd2 Cl6 N6 O4 -","- C12 H20 Cd2 Cl6 N6 O4 -","1","1","","Mohamedi, Nacira; Elleuch, Slim; Boufas, Sihem; Legouira, Messaoud; Djazi, Faiçal","Crystal structure of di-μ-chlorido-bis[dichlorido(<small>L</small>-histidinium-κ<i>O</i>)cadmium(II)]","Acta Crystallographica Section E","2019","75","6","823","825","10.1107/S205698901900690X","","","0.71073","MoKα","","0.0238","0.0235","","","0.0563","0.0565","","","","","","1.082","","","","has coordinates,has Fobs","215248","2020-10-21","18:00:00",""
"2243150","4.9468","0.0003","5.8712","0.0006","21.353","0.0018","85.019","0.008","84.094","0.006","86.465","0.007","613.68","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(2<i>E</i>,2'<i>E</i>)-1,1'-[Selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]","","- C30 H20 Cl2 O2 Se -","- C30 H20 Cl2 O2 Se -","- C30 H20 Cl2 O2 Se -","1","1","","Bouraoui, Hazem; Mechehoud, Youcef; Chetioui, Souheyla; Touzani, Rachid; Medjani, Meriem; Benmilat, Ahmed; Boudjada, Ali","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-1,1'-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]","Acta Crystallographica Section E","2019","75","11","1724","1728","10.1107/S2056989019014038","","","0.71073","MoKα","","0.0706","0.0384","","","0.0585","0.0744","","","","","","0.807","","","","has coordinates","219491","2020-10-21","18:00:00",""
"2243160","6.9346","0.0001","8.438","0.0002","16.6963","0.0005","79.826","0.002","89.848","0.002","80.488","0.002","948.03","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","3-[(4-Nitrobenzylidene)amino]-2(<i>R,S</i>)-(4-nitrophenyl)-5(<i>S</i>)-(propan-2-yl)imidazolidin-4-one","","- C19 H19 N5 O5 -","- C19 H19 N5 O5 -","- C38 H38 N10 O10 -","2","2","LH5929","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Souza, Marcus V. N.; da Costa, Cristiane F.","Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitrobenzylidene)amino]-2(<i>R,S</i>)-(4-nitrophenyl)-5(<i>S</i>)-(propan-2-yl)imidazolidin-4-one","Acta Crystallographica Section E","2019","75","11","1774","1782","10.1107/S2056989019013938","","x-ray","1.54178","CuKα","","0.0327","0.0314","","","0.0877","0.0885","","","","","","1.06","","","","has coordinates,has Fobs","221283","2020-10-21","18:00:00",""
"2243286","15.00386","0.00018","17.0413","0.0002","17.64915","0.00015","117.041","0.001","96.8906","0.0009","96.8281","0.001","3912.77","0.09","160","2","160","2","","","","","","","","4","P 1","P 1","1","","<i>catena</i>-Poly[[[diaqualithium]-μ-γ-cyclodextrin(1-)-[aqualithium]-μ-γ-cyclodextrin(1-)] pentadecahydrate]","","- C96 H194 Li2 O98 -","- C96 H179 Li2 O98 -","- C96 H179 Li2 O98 -","1","1","WM5534","Krukle-Berzina, Kristine; Belyakov, Sergey; Mishnev, Anatoly; Shubin, Kirill","Crystal structure of a two-dimensional metal‒organic framework assembled from lithium(I) and γ-cyclodextrin","Acta Crystallographica Section E","2020","76","3","349","353","10.1107/S2056989020001942","","","1.54184","CuKα","","0.0477","0.0458","","","0.1302","0.1327","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","248209","2020-10-21","18:00:00",""
"2243872","6.2374","0.0012","9.5938","0.0019","11.351","0.002","112.81","0.03","96.49","0.03","93.13","0.03","618.5","0.3","290","2","290","1","","","","","","","","3","P 1","P 1","1","14a-hydroxyixocarpanolide","(20<i>R</i>,22<i>R</i>)-5α,14α,20-Trihydroxy-1-oxo-6α,7α-epoxywitha-2-enolide","","- C28 H40 O7 -","- C28 H40 O7 -","- C28 H40 O7 -","1","1","","Okmanov, R. Ya.; Makhmudova, M. M.; Bobaev, I. D.; Tashkhodjaev, B.","Withanolides from <i>Physalis angulata</i> L.","Acta Crystallographica Section E","2021","77","8","804","808","10.1107/S205698902100709X","","","1.54184","CuKα","","0.0454","0.0405","","","0.1035","0.1097","","","","","","1.035","","","","has coordinates,has Fobs","267666","2021-07-21","05:22:49",""
"2243883","4.71248","0.00009","6.96463","0.00014","11.5455","0.0003","105.617","0.0018","95.7876","0.0016","95.9993","0.0016","359.638","0.014","100","2","100","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>'-[2-(Benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","1","1","YK2155","Azzam, Rasha A.; Elgemeie, Galal H.; Seif, Mona M.; Jones, Peter G.","Crystal structure of <i>N</i>'-[2-(benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide, an achiral compound crystallizing in space group <i>P</i>1 with <i>Z</i> = 1","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007672","","","0.71073","MoKα","","0.0315","0.0297","","","0.0767","0.0784","","","","","","1.064","","","","has coordinates,has Fobs","267931","2021-08-04","04:02:53",""
"2243981","6.2278","0.0006","9.6965","0.0008","14.9822","0.0013","105.288","0.008","97.126","0.007","96.919","0.007","854.82","0.14","100.15","","100.15","","","","","","","","","4","P 1","P 1","1","Fluorenonophane chlorobenzene monosolvate","1^9^<i>H</i>,7^9^<i>H</i>-3,5,9,11-Tetraoxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzenacyclododecaphane-1^9^,7^9^-dione chlorobenzene monosolvate","","- C48 H33 Cl O6 -","- C48 H33 Cl O6 -","- C48 H33 Cl O6 -","1","1","MW2179","Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Bogashchenko, Tatiana Yu.; Lyapunov, Alexander Yu.; Kirichenko, Tatiana I.","Fluorenonophane chlorobenzene solvate: molecular and crystal structures","Acta Crystallographica Section E","2021","77","12","1285","1288","10.1107/S2056989021011865","","x-ray","0.71073","MoKα","","0.0919","0.0635","","","0.1455","0.1714","","","","","","1.034","","","","has coordinates,has Fobs","271901","2022-01-06","23:07:06",""
"2244034","7.2165","0.0002","8.8298","0.0004","10.1184","0.0003","92.997","0.003","95.219","0.002","111.557","0.004","594.6","0.04","93.15","","93.15","","","","","","","","","6","P 1","P 1","1","Ciprofloxacin chloride–3,5-hydroxybenzoic acid–water (1/1/1)","4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium chloride–3,5-hydroxybenzoic acid–water (1/1/1)","","- C24 H27 Cl F N3 O8 -","- C24 H27 Cl F N3 O8 -","- C24 H27 Cl F N3 O8 -","1","1","DX2042","Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro","Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001177","","x-ray","1.54184","CuKα","","0.0347","0.0341","","","0.0937","0.0941","","","","","","1.122","","","","has coordinates,has Fobs","272550","2022-02-04","03:22:20",""
"2300204","4.8481","0.0016","6.359","0.002","8.9","0.003","74.49","0.03","83.9","0.03","80.53","0.03","260.22","0.15","","","","","","","","","","","","6","P 1","P 1","1","","6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","","","HX5075","Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.","A differential thermal expansion approach to crystal structure determination from powder diffraction data","Journal of Applied Crystallography","2008","41","6","1089","1094","10.1107/S0021889808030872","","","","","","","","","","","","","","","","","","","","","has coordinates","206340","2020-10-21","18:00:00",""
"2300205","4.8619","0.0017","6.377","0.002","8.926","0.003","74.4","0.03","83.93","0.03","80.56","0.03","262.39","0.16","","","","","","","","","","","","6","P 1","P 1","1","","6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","","","HX5075","Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.","A differential thermal expansion approach to crystal structure determination from powder diffraction data","Journal of Applied Crystallography","2008","41","6","1089","1094","10.1107/S0021889808030872","","","","","","","","","","","","","","","","","","","","","has coordinates","206340","2020-10-21","18:00:00",""
"2300206","4.8707","0.0009","6.3951","0.0012","8.9448","0.0016","74.368","0.016","83.786","0.014","80.459","0.015","264.01","0.09","","","","","","","","","","","","6","P 1","P 1","1","","6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","","","HX5075","Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.","A differential thermal expansion approach to crystal structure determination from powder diffraction data","Journal of Applied Crystallography","2008","41","6","1089","1094","10.1107/S0021889808030872","","","","","","","","","","","","","","","","","","","","","has coordinates","206340","2020-10-21","18:00:00",""
"2300207","4.8737","0.0009","6.4046","0.0013","8.9548","0.0016","74.324","0.017","83.751","0.015","80.449","0.016","264.79","0.09","","","","","","","","","","","","6","P 1","P 1","1","","6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","","","HX5075","Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.","A differential thermal expansion approach to crystal structure determination from powder diffraction data","Journal of Applied Crystallography","2008","41","6","1089","1094","10.1107/S0021889808030872","","","","","","","","","","","","","","","","","","","","","has coordinates","206340","2020-10-21","18:00:00",""
"2300208","4.8786","0.0009","6.4126","0.0013","8.9665","0.0016","74.266","0.016","83.693","0.015","80.445","0.016","265.63","0.09","","","","","","","","","","","","6","P 1","P 1","1","","6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","","","HX5075","Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.","A differential thermal expansion approach to crystal structure determination from powder diffraction data","Journal of Applied Crystallography","2008","41","6","1089","1094","10.1107/S0021889808030872","","","","","","","","","","","","","","","","","","","","","has coordinates","206340","2020-10-21","18:00:00",""
"2300690","200","","3.675","","100","","90","","90","","90","","73500","","295","","295","","","","","","","","","4","P 1","P 1","1","nanocrystalline calcium silicate hydrate","","","- Ca2.86 H7.67 O10.92 Si2.2 -","- Ca2.86 O10.92 Si2.2 -","- Ca22.88 O87.36 Si17.6 -","8","8","","Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried","Structure modeling and quantitative X-ray diffraction of C-(A)-S-H","Journal of Applied Crystallography","2022","55","1","","","10.1107/S1600576721012668","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","272218","2022-01-25","02:53:46",""
"2300691","16.85","","16.85","","8.425","","90","","90","","90","","2392.05","","","","","","","","","","","","","5","P 1","P 1","1","","","","- C48 H60 N24 O8 Zn6 -","- C24 H30 N12 O4 Zn3 -","- C48 H60 N24 O8 Zn6 -","2","2","","Metz, Peter C.; Purdy, Stephen C.; Ryder, Matthew R.; Ganesan, Arvind; Nair, Sankar; Page, Katharine","Detailed total scattering analysis of disorder in ZIF-8","Journal of Applied Crystallography","2021","54","3","759","767","10.1107/S1600576721002843","","","","","","","","","","","","","","","","","","","","","has coordinates","274864","2022-05-04","01:56:57",""
"2310085","9.188","","3.954","","6.479","","90","","97.56","","90","","233.332","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Au5 Mn2 -","- Au5 Mn2 -","- Au10 Mn4 -","2","2","","Humble, S.G.","Establishment of an ordered phase of composition Au5 Mn2 in the gold-manganese system","Acta Crystallographica (1,1948-23,1967)","1964","17","","1485","1486","10.1107/S0365110X64003723","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310154","8.5197","0.0004","42.461","0.002","16.293","0.008","83.351","0.002","90.958","0.002","84.275","0.002","5823","3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- As39.51 Pb6.13 S136 Sb41.51 Tl16.85 -","- As39.505 Pb6.133 S136 Sb41.512 Tl16.85 -","- As39.505 Pb6.133 S136 Sb41.512 Tl16.85 -","1","1","BP5073","Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude","Structure of Pb-rich chabournéite from Jas Roux, France.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","81","88","10.1107/S2052520614028157","","","0.71073","MoKα","","0.1529","0.0742","","","0.1713","0.2031","","","","","","1.073","","","","has coordinates,has Fobs","201406","2020-10-21","18:00:00",""
"2311427","7.5106","0.0002","10.0155","0.0003","18.5203","0.0005","75.646","0.002","88.438","0.002","86.344","0.002","1346.81","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","","- C26 H30 N O10.5 -","- C26 H30 N O10.5 -","- C52 H60 N2 O21 -","2","2","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.0737","0.0436","","","0.106","0.1211","","","","","","1.023","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311471","7.475","0.0007","7.7067","0.0006","14.6585","0.0009","104.696","0.006","92.637","0.006","94.548","0.007","812.33","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","2","DX2001","Yahyazadeh, Mahdi; Jerz, Gerold; Selmar, Dirk; Winterhalter, Peter; Jones, Peter G.","Crystal structure of akuammicine, an indole alkaloid from <i>Catharanthus roseus</i>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1658","1661","10.1107/S2056989017014529","","","1.54184","CuKα","","0.0465","0.0408","","","0.0957","0.1008","","","","","","1.04","","","","has coordinates","245908","2020-10-21","18:00:00",""
"2311621","11.43","0.003","11.464","0.004","35.606","0.009","84.421","0.004","87.694","0.004","60.102","0.002","4025","2","123","2","123","2","","","","","","","","4","P 1","P 1","1","","(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C176 H192 N32 O32 -","16","16","","Görbitz, Carl Henrik; Törnroos, Karl Wilhelm; Day, Graeme M.","Single-crystal investigation of L-tryptophan with Z' = 16.","Acta crystallographica. Section B, Structural science","2012","68","Pt 5","549","557","10.1107/S0108768112033484","","","0.71073","MoKα","","0.1","0.0879","","","0.2564","0.2632","","","","","","1.151","","","","has coordinates","246035","2020-10-21","18:00:00",""
"2311640","3.7837","0.0004","10.8502","0.0016","15.22","0.0017","109.226","0.011","97.056","0.006","91.514","0.009","584.03","0.13","100","","100","2","","","","","","","","4","P 1","P 1","1","'2-(1-(4-Methoxy-phenyl)-1H-1,2,3-triazol-4-yl)pyridine'","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C28 H24 N8 O2 -","2","2","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71075","MoKα","","0.0734","0.0534","","","0.1074","0.1161","","","","","","1.079","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2312118","22.151","0.002","24.498","0.002","25.108","0.002","114.23","0.02","101.09","0.02","95.4","0.02","11963","3","80","2","80","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","32","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.042","0.0401","","","0.1127","0.1139","","","","","","1.059","","","","has coordinates,has Fobs","284366","2023-06-06","05:29:50",""
"2312119","22.178","0.002","24.504","0.002","25.106","0.002","114.21","0.02","101.16","0.02","95.37","0.02","11978","3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","32","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0686","0.0656","","","0.1881","0.191","","","","","","1.021","","","","has coordinates,has Fobs","284366","2023-06-06","05:29:50",""
"2312123","15.025","0.002","19.506","0.002","23.021","0.002","107.96","0.02","102.68","0.02","101.48","0.02","5997.5","1.8","80","2","80","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","16","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0525","0.0483","","","0.1383","0.1428","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312385","5.2027","0.0002","8.9738","0.0003","12.3715","0.0004","78.249","0.001","83.171","0.001","76.338","0.001","547.97","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","α-<i>D</i>-2'-Deoxyadenosine","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C20 H26 N10 O6 -","2","2","OV3171","Leonard, Peter; Zhang, Aigui; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank","α-D-2'-Deoxyadenosine, an irradiation product of canonical DNA and a component of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 2","21","29","10.1107/S2053229624000457","","x-ray","1.54178","CuKα","","0.0282","0.027","","","0.064","0.0649","","","","","","1.075","","","","has coordinates,has Fobs","290322","2024-03-05","20:41:27",""
"3000362","5.70293","","4.55591","","5.39085","","90","","122.337","","90","","118.343","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O2 V0.9916 W0.0084 -","- O8 V3.9664 W0.0336 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282571","2023-04-11","15:59:00",""
"3000363","4.54028","","4.54028","","2.86067","","90","","90","","90","","58.97","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O V0.4958 W0.0042 -","- O4 V1.9832 W0.0168 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282572","2023-04-11","15:59:55",""
"3000364","5.77225","","4.54015","","5.40157","","90","","122.914","","90","","118.836","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O2 V0.9753 W0.0247 -","- O8 V3.9012 W0.0988 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282573","2023-04-11","16:01:37",""
"3000365","4.5539","","4.5539","","2.85868","","90","","90","","90","","59.283","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O V0.48765 W0.01235 -","- O4 V1.9506 W0.0494 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282574","2023-04-11","16:02:29",""
"3000366","4.55959","","4.55959","","2.85856","","90","","90","","90","","59.429","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.964 W0.036 -","- O V0.4818 W0.0182 -","- O4 V1.9272 W0.0728 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282575","2023-04-11","16:03:32",""
"3000367","4.56377","","4.56377","","2.86364","","90","","90","","90","","59.644","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.937 W0.063 -","- O V0.46845 W0.03155 -","- O4 V1.8738 W0.1262 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282576","2023-04-11","16:04:23",""
"3000368","4.56774","","4.56774","","2.86988","","90","","90","","90","","59.878","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.911 W0.089 -","- O V0.4553 W0.0447 -","- O4 V1.8212 W0.1788 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282577","2023-04-11","16:06:41",""
"3000369","4.5719","","4.5719","","2.87401","","90","","90","","90","","60.073","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.896 W0.104 -","- O V0.44785 W0.05215 -","- O4 V1.7914 W0.2086 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282578","2023-04-11","16:07:34",""
"3000370","4.57297","","4.57297","","2.87908","","90","","90","","90","","60.207","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.85 W0.15 -","- O V0.4249 W0.0751 -","- O4 V1.6996 W0.3004 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282579","2023-04-11","16:08:30",""
"3000410","34.35","","34.35","","34.35","","90","","90","","90","","40530.3","","","","","","","","","","","","","4","P 1","P 1","","","","","- C358 H2968 N180 O1088 -","","","","","","Wenbo Lv","","To be published in MOLECULES","","","","","","","","","","","","","","","","","","","","","","","","","","","","277705","2022-09-07","09:55:13","2023-02-07"
"3000411","34.35","","34.35","","34.35","","90","","90","","90","","40530.3","","","","","","","","","","","","","4","P 1","P 1","","","","","- C358 H2968 N180 O1152 -","","","","","","Wenbo Lv","","To be published in MOLECULES","","","","","","","","","","","","","","","","","","","","","","","","","","","","277706","2022-09-07","09:55:34","2023-02-07"
"3000412","34.35","","34.35","","34.35","","90","","90","","90","","40530.3","","","","","","","","","","","","","4","P 1","P 1","","","","","- C358 H2840 N180 O1152 -","","","","","","Wenbo Lv","","To be published in MOLECULES","","","","","","","","","","","","","","","","","","","","","","","","","","","","277707","2022-09-07","09:56:14","2023-02-07"
"3000458","5.0348","","5.0348","","39.130699","","90","","90","","120","","859.039","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289144","2024-01-19","08:05:10",""
"3000459","5.0346","","5.0346","","39.133801","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289145","2024-01-19","08:06:13",""
"3000460","5.03492","","5.03492","","39.128799","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289149","2024-01-19","08:10:18",""
"3000461","5.02417","","5.02417","","39.2957","","90","","90","","120","","859.022","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289150","2024-01-19","08:10:59",""
"3000462","5.03172","","5.03172","","39.178001","","90","","90","","120","","859.025","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289151","2024-01-19","08:12:32",""
"3000463","5.03194","","5.03194","","39.171398","","90","","90","","120","","858.955","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289152","2024-01-19","08:13:32",""
"4000133","8.6891","0.0002","9.1609","0.0002","9.3638","0.0003","68.97","0.001","79.005","0.001","75.622","0.001","669.65","0.03","","","","","","","","","","","","4","P 1","-P 1","2","","","","- C19 H13 N O -","- C19 H13 N O -","- C38 H26 N2 O2 -","2","2","","Field, Jason E.; Venkataraman, D.","HeterotriangulenesStructure and Properties","Chemistry of Materials","2002","14","3","962","964","10.1021/cm010929y","","","","MoKα","","0.0648","0.0525","","","0.152","0.1657","","","","","","1.058","","","","has coordinates","198537","2020-10-21","18:00:00",""
"4000343","4.9097","0.0009","5.7619","0.001","9.8317","0.0018","78.114","0.003","87.748","0.003","85.626","0.003","271.3","0.08","294","2","294","2","","","","","","","","6","P 1","P 1","1","","Ethylenediammonium dimanganese diphosphate dihydrate","","- C2 H14 Mn2 N2 O10 P2 -","- C2 H14 Mn2 N2 O10 P2 -","- C2 H14 Mn2 N2 O10 P2 -","1","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm0346576","","","0.71073","MoKα","","0.0385","0.0372","","","0.094","0.0946","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000683","7.5046","0.0005","10.7097","0.0008","10.7159","0.0008","60.849","0.001","69.918","0.001","85.968","0.001","701.49","0.09","293","0.2","293","0.2","","","","","","","","4","P 1","P 1","1","","","","- H8 K2 O12.2 Te4 -","- K2 O12.2 Te4 -","- K4 O24.4 Te8 -","2","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0316","0.0313","","","0.0856","0.0859","","","","","","1.073","","","","has coordinates","209296","2020-10-21","18:00:00",""
"4000767","6.4163","0.0011","6.4663","0.0011","7.1357","0.0012","103.275","0.002","92.053","0.002","119.58","0.002","246.67","0.07","103","2","103","2","","","","","","","","5","P 1","P 1","1","Thallium Uranyl Fluoroborate","","","- B5 F O11 Tl U -","- B5 F O11 Tl U -","- B5 F O11 Tl U -","1","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0361","0.0294","","","0.0522","0.054","","","","","","0.968","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000955","14.1061","0.0013","15.1571","0.0014","15.5414","0.0015","97.079","0.001","96.718","0.001","90.344","0.001","3274.2","0.5","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H76 N2 P4 Pt2 S7 -","- C62 H76 N2 P4 Pt2 S7 -","- C124 H152 N4 P8 Pt4 S14 -","2","2","","Zhao, Xiaoyong; Piliego, Claudia; Kim, BongSoo; Poulsen, Daniel A.; Ma, Biwu; Unruh, David A.; Fréchet, Jean M. J.","Solution-Processable Crystalline Platinum-Acetylide Oligomers with Broadband Absorption for Photovoltaic Cells","Chemistry of Materials","2010","22","7","2325","","10.1021/cm903329a","","","0.71073","MoKα","","0.0417","0.0323","","","0.0778","0.0828","","","","","","1.073","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000963","6.4488","0.0003","7.1595","0.0003","11.0929","0.0005","94.83","","90.01","","97.13","","506.37","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Thallium uranyl borate","","","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","1","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0208","0.0204","","","0.0482","0.0484","","","","","","0.769","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000997","8.351","0.0008","14.372","0.0014","15.421","0.0019","112.353","0.006","100.095","0.007","96.184","0.006","1654.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(CoCl4)2","(MeEDO-TTF)5(CoCl4)2","","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0975","0.0597","","","0.1392","0.1602","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000998","8.383","0.0008","14.457","0.0014","15.359","0.0019","111.965","0.006","99.799","0.007","96.161","0.006","1671.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(MnCl4)2","(MEDO-TTF)5(MnCl4)2","","- C45 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0756","0.0562","","","0.1332","0.1453","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001412","7.7782","0.0016","10.31","0.002","18.272","0.004","99.69","0.03","94.23","0.04","90.1","0.03","1440.3","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","CoEnOx-BPDS-pnp","","","- C42 H69 Co2 N11 O30 S2 -","- C42 H55 Co2 N11 O30 S2 -","- C42 H55 Co2 N11 O30 S2 -","1","1","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0433","0.0402","","","0.1117","0.1186","","","","","","1.113","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001800","25.9981","","26.2767","","26.5511","","90","","90","","90","","18138.2","","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","1","1","","Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.; Greathouse, Jeffery A.; Crozier, Paul S.; Zhao, Haiyan; Chupas, Peter J.; Nenoff, Tina M.","Competitive I2Sorption by Cu-BTC from Humid Gas Streams","Chemistry of Materials","2013","25","13","2591","","10.1021/cm401762g","","","0.2128","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001876","13.7858","0.0013","14.6169","0.0013","17.5171","0.0016","97.9411","0.0012","91.888","0.0013","99.4943","0.0013","3442.4","0.5","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C49 H111 Cl2 O16 Si4 Yb -","- C49 H111 Cl2 O16 Si4 Yb -","- C98 H222 Cl4 O32 Si8 Yb2 -","2","2","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MoKα","","0.027","0.024","","","0.0575","0.0596","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001982","5.45338","","7.51205","","5.33977","","108.606","","95.8897","","107.392","","193.039","","","","","","","","","","","","","5","P 1","P 1","1","","","","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","1","1","","Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand","Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing","Chemistry of Materials","2011","23","17","3854","","10.1021/cm200753g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002057","8.5422","0.0003","9.9173","0.0004","16.6816","0.0007","88.534","0.003","77.551","0.003","84.358","0.003","1373.27","0.09","295","1","295","1","","","","","","","","6","P 1","P 1","1","","","","- C50 H44 Co2 Cu N14 O22 -","- C50 H38 Co2 Cu N14 O22 -","- C50 H38 Co2 Cu N14 O22 -","1","1","","Stankiewicz, Jolanta; Tomás, Milagros; Dobrinovitch, Isabel T.; Forcén-Vázquez, Elena; Falvello, Larry R.","Proton Conduction in a Nonporous One Dimensional Coordination Polymer","Chemistry of Materials","2014","26","18","5282","","10.1021/cm502142a","","","0.71073","MoKα","","0.0475","0.0395","","","0.0891","0.0949","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002409","4.3","","8.587","","10.518","","113.11","","100.5","","90.36","","349.919","","","","","","","","","","","","","1","P 1","P 1","1","","Bi (B4 O6 (O H)2) (O H)","","- Bi0.5 -","- Bi0.5 -","- Bi -","2","2","","Li, L.; Li, G.; Wang, Y.; Lin, J.; Liao, F.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","151256","2020-10-21","18:00:00",""
"4002410","6.6257","","6.6238","","6.6541","","89.998","","89.982","","119.332","","254.591","","","","","","","","","","","","","1","P 1","P 1","1","","Bi3 (B6 O13 (O H))","","- Bi -","- Bi -","- Bi -","1","1","","Li, L.; Liao, F.; Li, G.; Wang, Y.; Lin, J.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002418","3.4009","","2.7895","","7.0762","","90","","90","","90","","67.131","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Al2 O3 -","- Al2 O3 -","- Al4 O6 -","2","2","","Paglia, G.; Bozin, E.S.; Billinge, S.J.L.","Fine-scale nanostructure in gamma - Al2 O3","Chemistry of Materials (1,1989-)","2007","18","","3242","3248","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002452","4.79674","0.00049","5.47004","0.0005","14.2965","0.0021","89.867","0.014","89.885","0.016","90","0.012","375.11","0.08","300","","300","","","","","","","","","5","P 1","P 1","1","","","","- Ba3 N8 O8 Si8 Sr -","- Ba3 N8 O8 Si8 Sr -","- Ba3 N8 O8 Si8 Sr -","1","1","","Guogang Li; Chun Che Lin; Wei-Ting Chen; Maxim S. Molokeev; Victor V. Atuchin; Chang-Yang Chiang; Wuzong Zhou; Chin-Wei Wang; Wen-Hsien Li; Hwo-Shuenn Sheu; Ting-Shan Chan; ChongGeng Ma; Ru-Shi Liu","Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms","Chemistry of Materials","2014","26","9","2991","","10.1021/cm500844v","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","","","","1.304","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4002721","8.198","0.002","8.2","0.002","8.933","0.003","63.28","0.03","63.31","0.03","60.06","0.03","444.8","0.3","100","0.4","100","0.4","","","","","","","","5","P 1","P 1","1","","","","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","1","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.1014","0.0892","","","0.2349","0.2484","","","","","","1.052","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4003426","5.1126","0.0001","6.3189","0.0002","12.0396","0.0005","100.931","0.002","97.211","0.002","90.683","0.003","378.62","0.02","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C2 N O17 P4 Ti2 -","- C2 N O17 P4 Ti2 -","- C2 N O17 P4 Ti2 -","1","1","","Mafra, Luís; Rocha, João; Fernandez, Christian; Castro, Germán R.; García-Granda, Santiago; Espina, Aranzazu; Khainakov, Sergei A.; García, José R.","Characterization of Layered γ-Titanium Phosphate (C2H5NH3)[Ti(H1.5PO4)(PO4)]2·H2O Intercalate: A Combined NMR, Synchrotron XRD, and DFT Calculations Study","Chemistry of Materials","2008","20","12","3944","","10.1021/cm800165p","","x-ray","0.82648","","","","","","","","","0.08421","","0.5","","","","","","","has coordinates","239742","2020-10-21","18:00:00",""
"4003563","6.7349","0.0013","7.8881","0.0016","7.8913","0.0016","106.69","0.03","100.39","0.03","100.56","0.03","382.49","0.17","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H9 N5 O -","- C19 H2 N5 O -","- C19 H2 N5 O -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0721","0.0615","","","0.1748","0.1898","","","","","","1.021","","","","has coordinates,has disorder","252540","2020-10-21","18:00:00",""
"4003566","7.1834","0.0014","7.7893","0.0016","7.9495","0.0016","73.81","0.03","83.7","0.03","88.39","0.03","424.58","0.16","113","2","113","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0671","0.0435","","","0.0969","0.1045","","","","","","1.032","","","","has coordinates,has disorder","252543","2020-10-21","18:00:00",""
"4003568","7.158","0.0014","7.8056","0.0016","7.9356","0.0016","72.93","0.03","85.74","0.03","88.93","0.03","422.68","0.16","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H10 N4 S -","- C22 H10 N4 S -","- C22 H10 N4 S -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0782","0.0702","","","0.2147","0.2212","","","","","","1.062","","","","has coordinates,has disorder","252545","2020-10-21","18:00:00",""
"4003879","11.8864","0.0007","11.9974","0.0007","13.1689","0.0008","91.86","0.001","96.886","0.001","97.367","0.001","1846.84","0.19","175","","175","","","","","","","","","7","P 1","P 1","1","","","","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","","0.71073","MoKα","","0.0307","0.0298","","","0.0739","0.0744","","","","","","1.048","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4003880","11.8584","0.0004","12.082","0.0006","13.0866","0.0005","92.367","0.004","96.922","0.003","98.281","0.004","1838.6","0.13","298","","298","","","","","","","","","7","P 1","P 1","1","","","","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","x-ray","0.71073","MoKα","","0.0534","0.0393","","","0.0834","0.0881","","","","","","1.005","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4004015","8.7893","0.0004","14.0924","0.0007","9.6968","0.0005","93.982","0.004","67.441","0.005","92.837","0.004","1106.15","0.1","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","1","1","","He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong","Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c02084","","","0.71073","MoKα","","0.0865","0.0686","","","0.1603","0.1685","","","","","","1.061","","","","has coordinates","267749","2021-07-26","22:36:26",""
"4004018","8.5577","0.0002","9.7387","0.0002","18.5585","0.0004","86.3032","0.0012","88.2019","0.0011","88.8251","0.001","1542.44","0.06","273.15","","273.15","","","","","","","","","7","P 1","P 1","1","","","","- C12 H22 Ag Bi I8 N4 O -","- C12 H22 Ag Bi I8 N4 O -","- C24 H44 Ag2 Bi2 I16 N8 O2 -","2","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0474","0.0366","","","0.1043","0.1138","","","","","","0.983","","","","has coordinates","267752","2021-07-26","22:37:23",""
"4004052","8.4328","0.0002","9.8807","0.0002","9.9005","0.0002","68.215","0.002","74.887","0.002","84.956","0.002","739.49","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9S16Cl","","","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.041","0.0388","","","0.0817","0.0826","","","","","","1.017","","","","has coordinates","271065","2021-12-03","23:12:33",""
"4004053","8.772","0.0003","10.2955","0.0003","10.3146","0.0003","68.356","0.002","74.92","0.003","84.93","0.002","836.01","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9Se16Cl","","","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.0582","0.0448","","","0.0873","0.0916","","","","","","0.955","","","","has coordinates","271066","2021-12-03","23:12:46",""
"4020015","6.589","0.001","8.452","0.001","10.757","0.001","108.41","0.01","96.9","0.01","92.79","0.01","561.9","0.1","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3B,8A,9B-TRIACETOXY-4A-HYDROXY-7-EPI-EUDESMANE","","- C21 H36 O8 -","- C21 H36 O8 -","- C21 H36 O8 -","1","1","","García-Granados, A.; Gutiérrez, M.C.; Martínez, A.; Rivas, F.","Enzyme-catalyzed rearrangement of a diepoxy-germacrane compound into a new 7-epi-eudesmane derivative","Journal of Organic Chemistry","2005","70","","338","341","10.1021/jo048783k","","","0.71073","MoKα","","0.048","0.0449","","","0.145","0.1532","","","","","","0.804","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020049","9.1321","0.0004","9.1935","0.0004","22.2192","0.001","80.69","0.001","82.866","0.001","69.114","0.001","1715.42","0.13","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H45 N O7 -","- C37 H45 N O7 -","- C74 H90 N2 O14 -","2","2","","Kay M. Brummond; Sang-phyo Hong","","Journal of Organic Chemistry","2005","70","","907","916","10.1021/jo0483567","","","0.71073","MoKα","","0.0991","0.0632","","","0.1585","0.173","","","","","","1.164","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020104","7.411","0.003","10.466","0.004","11.746","0.005","116.09","0.03","104.12","0.04","92.52","0.03","781.5","0.5","120","1","120","1","","","","","","","","2","P 1","P 1","1","","","","- C49 H26 -","- C49 H26 -","- C49 H26 -","1","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.71075","MoKα","","0.129","0.0826","","","0.2003","0.2269","","","","","","1.044","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020254","7.7798","0.0008","9.7832","0.001","11.1085","0.0011","75.16","0.005","79.807","0.005","67.272","0.005","750.93","0.13","190","2","190","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 N2 O3 S2 Si -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","1","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020302","7.2678","0.0002","9.5184","0.0003","9.629","0.0003","103.344","0.002","93.196","0.002","94.762","0.002","643.96","0.03","233","2","233","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","1","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020319","6.4851","0.0006","9.8871","0.0009","10.5663","0.001","100.153","0.001","97.752","0.001","106.194","0.001","628.17","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H39 Br O5 -","- C25 H39 Br O5 -","- C25 H39 Br O5 -","1","1","","Gisele A. Nishiguchi; Daniel Little","","Journal of Organic Chemistry","2005","70","","5249","5256","10.1021/jo050465d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020332","5.415","0.0002","13.688","0.0005","16.849","0.0007","65.87","0.0015","83.086","0.0015","81.892","0.0018","1125.62","0.07","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H23 F3 N2 O6 S -","- C21 H23 F3 N2 O6 S -","- C42 H46 F6 N4 O12 S2 -","2","2","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez Osés; Jesús M. Peregrina","","Journal of Organic Chemistry","2005","70","","5721","5724","10.1021/jo0505371","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020347","14.485","0.0009","15.0017","0.0009","20.52","0.0012","72.813","0.001","89.553","0.001","75.871","0.001","4121","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","1","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020412","7.2972","0.0006","8.6769","0.0007","9.8312","0.0012","114.432","0.002","111.244","0.002","92.708","0.002","513.78","0.09","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","1","1","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020426","11.7597","0.0009","12.5439","0.0008","13.2635","0.0009","108.493","0.006","102.329","0.006","107.814","0.006","1658.7","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H47 N O3 S2 -","- C32 H47 N O3 S2 -","- C64 H94 N2 O6 S4 -","2","2","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020429","7.636","0.002","10.547","0.004","15.442","0.007","80.12","0.04","79.42","0.03","68.96","0.03","1133.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","2","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020434","9.98","0.002","10.189","0.005","10.21","0.003","96.32","0.03","113.03","0.02","105.45","0.03","893.7","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","1","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020490","9.6976","0.0019","10.401","0.002","14.886","0.003","74.6","0.03","85.88","0.03","80.69","0.03","1427.8","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C60 H92 O14 -","2","2","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020643","6.4664","0.0003","12.282","0.0007","15.5671","0.0008","104.96","0.001","90.223","0.001","98.037","0.001","1181.67","0.11","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H35 F N3 O3.5 S -","- C21 H35 F N3 O3.5 S -","- C42 H70 F2 N6 O7 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020646","9.7343","0.0008","11.863","0.001","12.4542","0.0011","76.418","0.002","75.299","0.002","85.731","0.003","1352","0.2","115","2","115","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H38 F3 N3 O3 S -","- C24 H38 F3 N3 O3 S -","- C48 H76 F6 N6 O6 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020694","8.635","0.0004","8.793","0.0003","10.356","0.0006","82.257","0.003","73.341","0.002","66.915","0.003","692.76","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","1","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020695","9.2819","0.0005","9.716","0.0006","21.2585","0.0012","83.289","0.001","80.492","0.001","64.244","0.001","1700.78","0.17","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H16 Cl2 F8 -","- C30 H16 Cl2 F8 -","- C90 H48 Cl6 F24 -","3","3","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020723","9.3699","0.001","10.4362","0.0012","13.2079","0.0018","101.103","0.011","94.95","0.01","111.346","0.01","1163","0.2","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","1","1","","Tetsuya Kodama; Marc M. Greenberg","Preparation and Analysis of Oligonucleotides Containing Lesions Resulting from C5'-Oxidation","Journal of Organic Chemistry","2005","70","","9916","9924","10.1021/jo051666k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020831","7.902","0.002","8.256","0.003","8.859","0.003","78.4","0.02","76.73","0.02","87.96","0.03","551","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0327","","","0.091","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020832","8.056","0.005","8.326","0.005","8.751","0.006","77.78","0.05","78.13","0.05","89.88","0.05","560.9","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.049","","","0.1271","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020833","7.889","0.005","8.294","0.005","8.727","0.005","79.7","0.05","74.71","0.04","87.15","0.05","541.9","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0297","","","0.0835","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021043","7.463","0.0005","7.4633","0.0005","23.1431","0.0015","91.299","0.002","94.067","0.003","90.194","0.003","1285.45","0.15","90","1","90","1","","","","","","","","5","P 1","P 1","1","C26H23O6BrN4","","","- C26 H23 Br N4 O6 -","- C26 H23 Br N4 O6 -","- C52 H46 Br2 N8 O12 -","2","2","","Huw M. L. Davies; Rohan E. J. Beckwith","Catalytic Asymmetric Reactions for Organic Synthesis: The Combined C-H Activation/Siloxy-Cope Rearrangement","Journal of Organic Chemistry","2004","69","","9241","9247","10.1021/jo048429m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021054","7.6254","0.0001","11.3678","0.0003","13.1788","0.0004","102.452","0.001","96.396","0.001","105.312","0.001","1058.59","0.04","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C52 H56 N6 -","- C52 H56 N6 -","- C52 H56 N6 -","1","1","","Angela L. Sauers; Douglas M. Ho; Stefan Bernhard","Synthesis and Characterization of Highly Conjugated, Chiral Bridging Ligands","Journal of Organic Chemistry","2004","69","","8910","8915","10.1021/jo048515m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021178","11.206","0.003","13.618","0.006","5.869","0.003","97.73","0.03","99.51","0.03","75.43","0.03","850.9","0.6","296.1","","","","","","","","","","","4","P 1","P 1","1","(1S,2R)-1-aminoindan-2-ol,(R)-3-phenylbutyric acid","","","- C19 H23 N O3 -","- C19 H22 N O3 -","- C38 H44 N2 O6 -","2","2","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021195","9.1023","0.0002","9.7623","0.0003","14.385","0.0004","86.987","0.001","86.25","0.001","69.955","0.001","1197.62","0.05","293.2","","293.2","","","","","","","","","4","P 1","P 1","1","","","","- C27 H28 N3 O3.5 -","- C27.5 H26 N3 O4 -","- C55 H52 N6 O8 -","2","2","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0739","","","0.116","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021216","14.179","0.0004","16.536","0.0005","19.672","0.0006","107.62","0.001","97.17","0.001","114.33","0.001","3836.7","0.2","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C162 H156 N8 O14 -","- C81 H78 N4 O7 -","- C162 H156 N8 O14 -","2","2","","Zi-Bo Li; Jing Lin; Hui-Chang Zhang; Michal Sabat; Marilise Hyacinth; Lin Pu","Macrocyclic Bisbinaphthyl Fluorophores and Their Acyclic Analogues: Signal Amplification and Chiral Recognition","Journal of Organic Chemistry","2004","69","","6284","6293","10.1021/jo049366a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021218","10.841","0.003","12.86","0.003","13.625","0.003","100.916","0.003","96.331","0.003","104.576","0.003","1780","0.8","173.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C74 H66 Cl10 N2 O2 P2 Pd2 -","- C74 H66 Cl10 N2 O2 P2 Pd2 -","- C74 H66 Cl10 N2 O2 P2 Pd2 -","1","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021226","14.79","0.002","15.017","0.002","17.581","0.002","107.85","0.005","92.253","0.005","119.304","0.005","3155.8","0.7","108.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C156 H152 Fe6 O12 -","- C156 H135 Fe6 O12 -","- C156 H135 Fe6 O12 -","1","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021244","15.651","0.004","6.518","0.002","12.89","0.004","90","","96.18","0.02","90","","1307.3","0.7","298","","","","","","","","","","","6","P 1","P 1","1","","","","- C27 H34 N O2 P Si -","- C27 N O2 P Si -","- C54 N2 O4 P2 Si2 -","2","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021245","10.4","0.003","11.376","0.003","11.875","0.003","64.595","0.003","73.545","0.003","80.628","0.003","1215.7","0.5","100.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C25 H29 Cl2 N O2.5 P Pd -","- C25 H27.5 Cl2 N O2.5 P Pd -","- C50 H55 Cl4 N2 O5 P2 Pd2 -","2","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021477","6.2686","0.0009","8.196","0.001","6.084","0.002","111.81","0.01","101.01","0.02","110.62","0.01","252.3","0.08","298.2","","298","","","","","","","","","4","P 1","P 1","1","","","","- C10 H17 N O -","- C10 H17 N O -","- C10 H17 N O -","1","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0369","","","","0.0527","","","","","","1.429","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021512","11.8906","0.0007","12.2442","0.0008","13.4875","0.0007","101.325","0.004","96.59","0.004","117.117","0.003","1666.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","1","1","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.0804","0.0633","","","0.1342","0.1438","","","","","","1.07","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021541","8.22","0.003","9.013","0.003","9.635","0.003","68.718","0.006","74.078","0.006","63.603","0.005","590.3","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluorohexan-2- ol","","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","1","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0374","0.0361","","","0.1011","0.1033","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021653","11.073","0.002","11.844","0.002","17.13","0.003","106.076","0.003","99.448","0.003","90.43","0.003","2126.1","0.7","298","2","298","2","","","","","","","","5","P 1","P 1","1","","Methyl-4-O-(2,3-di-O-benzyl-4,6-O-[1-cyano-2-(2-iodophenyl)] ethylidene-β-D-mannopyranosyl)-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C47 H52 I N10 O12 -","- C43 H53.5 I N O11 -","- C86 H107 I2 N2 O22 -","2","2","","David Crich; Albert A. Bowers","4,6-O-[1-Cyano-2-(2-iodophenyl)ethylidene] Acetals. Improved Second-Generation Acetals for the Stereoselective Formation of β-D-Mannopyranosides and Regioselective Reductive Radical Fragmentation to β-D-Rhamnopyranosides. Scope and Limitations","Journal of Organic Chemistry","2006","71","","3452","3463","10.1021/jo0526688","","","0.71073","MoKα","","0.128","0.0686","","","0.1384","0.1656","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021685","9.183","0.001","9.649","0.001","14.829","0.003","89.13","0.01","73.905","0.01","61.905","0.01","1103.3","0.3","567","2","567","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C56 H58 N2 O4 -","2","2","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0638","0.0448","","","0.1138","0.1265","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021700","6.8927","0.0001","8.8506","0.0002","12.6185","0.0003","75.92","0.001","80.014","0.001","75.82","0.001","718.59","0.03","100","2","100","2","","","","","","","synthesized","5","P 1","P 1","1","","","","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","1","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.0274","0.0264","","","0.0681","0.0689","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021836","5.502","0.007","6.094","0.007","12.278","0.014","95.19","0.01","91.88","0.01","108.79","0.01","387.3","0.8","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C17 H23 N O4 -","1","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0373","0.0368","","","0.089","0.0893","","","","","","1.239","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021949","8.087","0.0001","8.2484","0.0001","12.1896","0.0003","82.999","0.001","81.897","0.001","68.672","0.001","747.65","0.02","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","1","1","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0347","0.0339","","","0.0957","0.0965","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021967","8.6283","0.0004","10.2323","0.0005","11.4766","0.0006","84.168","0.003","68.788","0.002","72.628","0.002","901.48","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","2","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","1.54178","CuKα","","0.06","0.0578","","","0.1536","0.1553","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022095","10.87","0.002","11.836","0.002","13.685","0.002","104.059","0.006","112.55","0.006","92.755","0.006","1557.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C31 H35 N3 O9 -","- C31 H35 N3 O9 -","- C62 H70 N6 O18 -","2","2","","Christopher J. Gabriel; Matthew P. DeMatteo; Noel M. Paul; Tomohisa Takaya; Terry L. Gustafson; Christopher M. Hadad; Jon R. Parquette","A New Class of Intramolecularly Hydrogen-Bonded Dendrons Based on a 2-Methoxyisophthalamide Repeat Unit","Journal of Organic Chemistry","2006","71","","9035","9044","10.1021/jo061351k","","x-ray","0.71073","MoKα","","0.0739","0.0544","","","0.1426","0.1549","","","","","","1.052","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022132","6.084","0.0011","12.859","0.004","14.354","0.004","72.851","0.01","89.224","0.01","77.7","0.01","1047","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C48 H60 N4 O4 -","2","2","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0841","0.0521","","","0.105","0.1178","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022348","11.099","0.001","15.508","0.002","16.21","0.002","91.344","0.004","100.149","0.004","92.319","0.004","2743","1","120","","120","","","","","","","","","5","P 1","P 1","1","","(2S,3R) Ethyl 2-( (diphenylmethylene)amino)-3-phenyl-3- (p-toluensulphonylamino) propanoate","","- C31 H30 N2 O4 S -","- C31 H30 N2 O4 S -","- C124 H120 N8 O16 S4 -","4","4","","Luca Bernardi; Aase S. Gothelf; Rita G. Hazell; Karl Anker Jørgensen","Catalytic Asymmetric Mannich Reactions of Glycine Derivatives with Imines. A New Approach to Optically Active α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2003","68","","2583","2591","10.1021/jo026766u","","","0.71073","MoKα","","","0.071","","","","0.107","","","","","","2.13","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022586","8.9139","0.0008","11.0167","0.0008","14.87","0.001","74.492","0.003","89.882","0.002","89.904","0.002","1407.1","0.2","113.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C35 H32 O5 -","- C35 H32 O5 -","- C70 H64 O10 -","2","2","","Toshiaki Shimasaki; Shin-ichiro Kato; Keiko Ideta; Kenta Goto; Teruo Shinmyozu","Synthesis and Structural and Photoswitchable Properties of Novel Chiral Host Molecules: Axis Chiral 2,2'-Dihydroxy-1,1'-binaphthyl-Appended stiff-Stilbene","Journal of Organic Chemistry","2007","72","","1073","1087","10.1021/jo061127v","","","0.7107","MoKα","","","0.044","","","","0.1176","","","","","","1.248","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022591","8.178","0.008","10.255","0.009","15.209","0.01","84.98","0.05","83.95","0.05","87.84","0.05","1263","1.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","THYMIDIN02","3'-N-sulfamate analogue of Thymidylyl(3'-5')thymidine (Compound 1)","","- C20 H27 N5 O11 S -","- C20 H27 N5 O11 S -","- C40 H54 N10 O22 S2 -","2","2","","Céline Moriou; Martial Thomas; Marie-Thérèse Adeline; Marie-Thérèse Martin; Angèle Chiaroni; Sylvie Pochet; Jean-Louis Fourrey; Alain Favre; Pascale Clivio","Crystal Structure and Photochemical Behavior in Solution of the 3'-N-Sulfamate Analogue of Thymidylyl(3'-5')thymidine","Journal of Organic Chemistry","2007","72","","43","50","10.1021/jo061488a","","","0.71073","MoKα","","0.0809","0.057","","","0.0977","0.1057","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022721","7.7309","0.0003","9.8742","0.0004","10.3592","0.0004","63.33","0.001","85.655","0.001","72.561","0.001","672.57","0.05","180","1","180","1","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br2 N2 O -","- C14 H14 Br2 N2 O -","- C28 H28 Br4 N4 O2 -","2","2","","Costa Metallinos; Travis Dudding; Josh Zaifman; Jennifer L. Chaytor; Nicholas J. Taylor","An Experimental and Theoretical Study of the Asymmetric Lithiation of 1,2,3,5,6,7-Hexahydro-3a,4a-diazacyclopenta[def]phenanthren-4-one","Journal of Organic Chemistry","2007","72","","957","963","10.1021/jo062244t","","","0.71073","MoKα","","0.0283","0.0259","","","0.0484","0.0487","","","","","","1.3","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022729","6.3813","0.0003","9.4373","0.0004","16.948","0.0009","89.7","0.002","81.267","0.003","87.576","0.003","1007.91","0.08","160","1","160","1","","","","","","","","3","P 1","P 1","1","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C42 H64 O10 -","2","2","","Martin A. Lovchik; Andreas Goeke; Georg Fráter","Cyclobutanones through S~N~i' Ring Closure, a Mechanistic Study","Journal of Organic Chemistry","2007","72","","2427","2433","10.1021/jo062264v","","","0.71073","MoKα","","0.0562","0.0482","","","0.1277","0.1344","","","","","","1.092","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022736","9.1937","0.0005","11.5288","0.0006","12.5921","0.0007","87.648","0.001","80.507","0.001","71.088","0.001","1245.22","0.12","293","2","293","2","","","","","","","synthesis","4","P 1","P 1","1","","","","- C21 H31 N5 O6 -","- C21 H31 N5 O6 -","- C42 H62 N10 O12 -","2","2","","Josep Comelles; Àlex Pericas; Marcial Moreno-Mañas; Adelina Vallribera; Galí Drudis-Solé; Agusti Lledos; Teodor Parella; Anna Roglans; Santiago García-Granda; Laura Roces-Fernández","Highly Enantioselective Electrophilic Amination and Michael Addition of Cyclic β-Ketoesters Induced by Lanthanides and (S,S)-ip-pybox: The Mechanism","Journal of Organic Chemistry","2007","72","","2077","2087","10.1021/jo0622678","","","0.71073","MoKα","","0.1531","0.0889","","","0.1868","0.218","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022829","7.2244","0.0012","11.634","0.002","16.513","0.003","81.619","0.003","84.219","0.003","89.985","0.003","1366","0.4","193","2","193","2","","","","","","","","4","P 1","P 1","1","2,3-Dibenzyl-1-oxo-2,3,3a,4,8,8a-hexahydro-1h-2,4a-diaza-s-indacine- 4,5,6-tricarboxylic acid 4-ethyl ester 5,6-dimethylester (3S, 3aR, 4R, 8aR)","","","- C31 H32 N2 O7 -","- C31 H32 N2 O7 -","- C62 H64 N4 O14 -","2","2","","William V. Murray; David Francois; Amy Maden; Ignatius Turchi","An Azomethine Ylide Approach to Complex Alkaloid-like Heterocycles","Journal of Organic Chemistry","2007","72","","3097","3099","10.1021/jo062579a","","","0.71073","MoKα","","0.102","0.0666","","","0.119","0.1329","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022892","9.378","0.003","9.474","0.003","12.814","0.004","74.499","0.004","73.807","0.005","64.67","0.005","973.8","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H30 Cl6 N4 O4 -","- C39 H30 Cl6 N4 O4 -","- C39 H30 Cl6 N4 O4 -","1","1","","Ying Cheng; Lan-Qing Cheng","Interaction of β-Lactam Carbenes with Aryl Isonitriles: An Unprecedented Rearrangement of 2-Azetidinonylidene Indoles to δ-Carbolinones","Journal of Organic Chemistry","2007","72","","2625","2630","10.1021/jo0700631","","","0.71073","MoKα","","0.0865","0.0408","","","0.0923","0.1142","","","","","","1.011","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022915","10.5116","0.0009","11.2613","0.001","19.5145","0.0018","78.166","0.001","82.396","0.001","64.257","0.001","2034.1","0.3","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H39 Br O3 -","- C29 H39 Br O3 -","- C87 H117 Br3 O9 -","3","3","","Vincent Rodeschini; Nigel S. Simpkins; Claire Wilson","Kinetic Resolution in a Bridgehead Lithiation Mediated by a Chiral Bis-lithium Amide: Assignment of the Absolute Configuration of Clusianone","Journal of Organic Chemistry","2007","72","","4265","4267","10.1021/jo070225t","","","0.71073","MoKα","","0.0485","0.0406","","","0.0966","0.1006","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023079","8.5044","0.0002","12.4661","0.0004","16.052","0.0005","91.946","0.001","99.404","0.002","109.096","0.002","1579.53","0.08","120","2","120","2","","","","","","","Gareth Bates","5","P 1","P 1","1","","","","- C68 H100 N6 O5 S -","- C68 H100 N6 O5 S -","- C68 H100 N6 O5 S -","1","1","","Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale","2,7-Functionalized Indoles as Receptors for Anions","Journal of Organic Chemistry","2007","72","","8921","8927","10.1021/jo701702p","","","0.71073","MoKα","","0.0842","0.0542","","","0.1176","0.13","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023156","9.121","","9.651","","18.764","","100.96","","101.06","","100.08","","1552.6","","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C12 H12 S6 -","- C12 H12 S6 -","- C48 H48 S24 -","4","4","","Takahiro Tsuchiya; Yosuke Okada; Toshio Shimizu; Kazunori Hirabayashi; Nobumasa Kamigata","Molecular Transformations of Unsaturated Thiacrown Ethers","Journal of Organic Chemistry","2008","73","","76","80","10.1021/jo701757s","","","0.71075","MoKα","","0.0403","0.036","","","0.0786","0.0803","","","","","","1.088","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4023170","13.038","0.003","14.627","0.003","16.662","0.006","105.818","0.004","99.498","0.004","114.094","0.002","2649.2","1.3","90","","90","","","","","","","","","5","P 1","P 1","1","Tri(1S)-(+)-10-CSA Salt","","","- C102 H134 N4 O16 S4 -","- C102 H122 N4 O16 S4 -","- C102 H122 N4 O16 S4 -","1","1","","Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa","Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate","Journal of Organic Chemistry","2008","73","","133","141","10.1021/jo701923z","","","0.71073","MoKα","","0.0598","0.0481","","","0.1146","0.1207","","","","","","1.07","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023174","7.495","0.0015","8.1766","0.0016","12.237","0.002","97.02","0.03","98.63","0.03","109.63","0.03","686.3","0.2","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H35 Fe N O5 -","- C31 H35 Fe N O5 -","- C31 H35 Fe N O5 -","1","1","","Min-Can Wang; Qing-Jian Zhang; Wen-Xian Zhao; Xiao-Dan Wang; Xue Ding; Tao-Tao Jing; Mao-Ping Song","Evaluation of Enantiopure N-(Ferrocenylmethyl)azetidin-2-yl(diphenyl)methanol for Catalytic Asymmetric Addition of Organozinc Reagents to Aldehydes","Journal of Organic Chemistry","2008","73","","168","176","10.1021/jo701943x","","","0.71073","MoKα","","0.0381","0.0341","","","0.0797","0.0824","","","","","","1.015","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023377","6.7612","0.0009","10.0124","0.0011","12.1054","0.0014","80.571","0.01","87.771","0.009","81.457","0.012","799.35","0.17","122","1","122","1","","","","","","","","5","P 1","P 1","1","","(S)-2-(cyclohexylmethyl)-1-(4-nitrobenzenesulfonyl)aziridine","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C30 H40 N4 O8 S2 -","2","2","","François Crestey; Matthias Witt; Karla Frydenvang; Dan Staerk; Jerzy W. Jaroszewski; Henrik Franzyk","Microwave-Assisted Ring-Opening of Activated Aziridines with Resin-Bound Amines","Journal of Organic Chemistry","2008","73","","3566","3569","10.1021/jo702612u","","","0.71073","MoKα","","0.035","0.0294","","","0.0677","0.0702","","","","","","1.047","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023383","6.7371","0.0009","9.4204","0.0017","11.7209","0.0015","101.987","0.013","92.628","0.013","98.121","0.012","718.19","0.19","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","1","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.0746","0.0458","","","0.0956","0.1081","","","","","","1.026","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023385","6.7509","0.0009","9.4347","0.0016","11.7308","0.0016","101.897","0.012","92.696","0.014","98.098","0.01","721.59","0.18","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","1","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.0808","0.0487","","","0.105","0.1195","","","","","","1.067","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023401","10.1629","0.0003","10.1911","0.0004","14.7036","0.0005","70.77","0.002","71.313","0.002","88.929","0.002","1355.66","0.08","100","2","100","2","","","","","","","synthesized","7","P 1","P 1","1","","","","- C22 H24 F6 N2 O8 S2 Zn -","- C22 H24 F6 N2 O8 S2 Zn -","- C44 H48 F12 N4 O16 S4 Zn2 -","2","2","","Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist","Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative","Journal of Organic Chemistry","2008","73","","3911","3914","10.1021/jo702566m","","x-ray","0.71073","MoKα","","0.042","0.0387","","","0.0971","0.0993","","","","","","1.028","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023402","7.0483","0.001","8.209","0.0014","16.012","0.003","87.624","0.013","86.823","0.012","88.264","0.013","923.9","0.3","110","","110","","","","","","","","","6","P 1","P 1","1","","(R)-1-(4-Bromo-benzenesulfonyl)-3,3-dimethyl-pyrrolidine-2-carboxylic acid amide","","- C15 H23 Br N2 O4 S -","- C15 H23 Br N2 O4 S -","- C30 H46 Br2 N4 O8 S2 -","2","2","","Jesus R. Medina; Charles W. Blackledge; Karl F. Erhard; Jeffrey M. Axten; William H. Miller","Benzyl 2-Cyano-3,3-Dimethyl-1-pyrrolidinecarboxylate, a Versatile Intermediate for the Synthesis of 3,3-Dimethylproline Derivatives","Journal of Organic Chemistry","2008","73","","3946","3949","10.1021/jo7027163","","","0.71073","MoKα","","0.0389","0.0302","","","0.0616","0.0651","","","","","","1.03","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023469","7.0102","0.0005","10.7641","0.0009","15.896","0.001","86.052","0.004","77.422","0.002","71.319","0.002","1109","0.1","113.2","","","","","","","","","","","2","P 1","P 1","1","","","","- C30 H34 -","- C30 H34 -","- C60 H68 -","2","2","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Taisuke Matsumoto; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Three- and Four-Layered [3.3]Paracyclophanes","Journal of Organic Chemistry","2008","73","","4433","4442","10.1021/jo8003309","","","0.7107","MoKα","","","0.0667","","","","0.1786","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023506","10.9118","0.0007","13.9513","0.0009","16.0627","0.001","103.793","0.005","108.602","0.006","103.178","0.005","2124.4","0.2","130","2","130","2","","","","","","","","7","P 1","P 1","1","","","","- C74 H96 Ag4 Cl4 N4 O18 S8 -","- C74 H88 Ag4 Cl4 N4 O18 S8 -","- C74 H88 Ag4 Cl4 N4 O18 S8 -","1","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly","Journal of Organic Chemistry","2008","73","","4859","4864","10.1021/jo8004809","","","0.71073","MoKα","","0.0523","0.0453","","","0.1095","0.1139","","","","","","1.039","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023617","9.2647","0.0004","10.3599","0.0004","10.529","0.0005","99.983","0.003","93.624","0.003","107.887","0.003","939.84","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C19 H30 O P2 -","- C19 H30 O P2 -","- C38 H60 O2 P4 -","2","2","","Isabelle Bonnaventure; André B. Charette","Probing the Importance of the Hemilabile Site of Bis(phosphine) Monoxide Ligands in the Copper-Catalyzed Addition of Diethylzinc to N-Phosphinoylimines: Discovery of New Effective Chiral Ligands","Journal of Organic Chemistry","2008","73","","6330","6340","10.1021/jo800969x","","","1.54178","CuKα","","0.0907","0.0859","","","0.2115","0.2156","","","","","","1.098","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023623","7.826","0.003","10.316","0.005","13.546","0.006","90.575","0.009","96.413","0.009","107.66","0.008","1034.5","0.8","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C46 H48 N4 O10 -","2","2","","Pei-Yu Kuo; Ding-Yah Yang","Design of a Coumarin-Based Triketone as a Fluorescent Protecting Group for Primary Amines","Journal of Organic Chemistry","2008","73","","6455","6458","10.1021/jo801060p","","","0.71073","MoKα","","0.0693","0.0506","","","0.1366","0.1518","","","","","","1.046","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023627","9.192","0.003","9.691","0.011","10.351","0.004","67.9","0.06","87.58","0.03","83.57","","848.9","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","2","","Pelayo Camps; Tània Gómez; Diego Muñoz-Torrero; Jordi Rull; Laura Sánchez; Francesca Boschi; Mauro Comes-Franchini; Alfredo Ricci; Teresa Calvet; Mercè Font-Bardia; Erik De Clercq; Lieve Naesens","Synthesis and Absolute Configuration of Novel N,O-Psiconucleosides Using (R)-N-Phenylpantolactam as a Resolution Agent","Journal of Organic Chemistry","2008","73","","6657","6665","10.1021/jo800769m","","","0.71073","MoKα","","0.2064","0.069","","","0.1417","0.1829","","","","","","0.993","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023674","10.2207","0.0013","15.0552","0.0019","16.326","0.002","72.802","0.002","72.958","0.002","73.405","0.001","2239.4","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H29 N O5 S -","- C23 H29 N O5 S -","- C92 H116 N4 O20 S4 -","4","4","","Tyler A. Johnson; Taro Amagata; Allen G. Oliver; Karen Tenney; Frederick A. Valeriote; Phillip Crews","The Unexpected Isolation of CTP-431, a Novel Thiopyrone from the Sponge Cacospongia mycofijiensis","Journal of Organic Chemistry","2008","73","","7255","7259","10.1021/jo801096m","","","0.71073","MoKα","","0.078","0.058","","","0.1288","0.1385","","","","","","1.07","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023837","10.2207","0.0013","15.0552","0.0019","16.326","0.002","72.802","0.002","72.958","0.002","73.405","0.001","2239.4","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H29 N O5 S -","- C23 H29 N O5 S -","- C92 H116 N4 O20 S4 -","4","4","","Kimberly N. White; Taro Amagata; Allen G. Oliver; Karen Tenney; Philip J. Wenzel; Phillip Crews","Structure Revision of Spiroleucettadine, a Sponge Alkaloid with a Bicyclic Core Meager in H-Atoms","Journal of Organic Chemistry","2008","73","","8719","8722","10.1021/jo800960w","","","0.71073","MoKα","","0.078","0.058","","","0.1288","0.1385","","","","","","1.07","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023838","4.7057","0.0006","5.5719","0.0007","20.726","0.003","88.634","0.008","85.795","0.009","76.963","0.008","527.97","0.11","90","0.2","90","0.2","","","","","","","","3","P 1","P 1","1","","","","- C22 H38 O6 -","- C22 H38 O6 -","- C22 H38 O6 -","1","1","","Joseph J. Bozell; Nathan C. Tice; Nibedita Sanyal; David Thompson; Jong-Mok Kim; Sébastien Vidal","Synthesis and Self-Assembly of Glycal-Based Bolaforms","Journal of Organic Chemistry","2008","73","","8763","8771","10.1021/jo801341g","","","1.54178","CuKα","","0.0962","0.0741","","","0.1682","0.1778","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023896","4.649","0.003","6.738","0.005","13.324","0.01","87.993","0.013","89.247","0.017","88.2","0.02","416.9","0.5","108","2","108","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H18 F3 N3 O3 -","- C17 H18 F3 N3 O3 -","- C17 H18 F3 N3 O3 -","1","1","","Cidália M. G. dos Santo; Thomas McCabe; Graeme W. Watson; Paul E. Kruger; Thorfinnur Gunnlaugsson","The Recognition and Sensing of Anions through ""Positive Allosteric Effects"" Using Simple Urea‒Amide Receptors","Journal of Organic Chemistry","2008","73","","9235","9244","10.1021/jo8014424","","","0.7107","MoKα","","0.0643","0.052","","","0.1331","0.1445","","","","","","0.98","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4023911","11.885","0.003","14.33","0.004","14.588","0.004","61.422","0.005","73.105","0.005","68.882","0.005","2014","0.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C76 H96 Cl6 N6 O12 -","- C76 H96 Cl6 N6 O12 -","- C76 H96 Cl6 N6 O12 -","1","1","","Jian-Bin Lin; Xiao-Na Xu; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonding-Directed Multicomponent Dynamic Covalent Assembly of Mono- and Bimacrocycles. Self-Sorting and Macrocycle Exchange","Journal of Organic Chemistry","2008","73","","9403","9410","10.1021/jo801972s","","","0.71073","MoKα","","0.1208","0.0698","","","0.1706","0.2045","","","","","","0.921","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4024045","9.341","","10.7","","12.856","","101.34","","93.88","","90.82","","1256.5","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H26 O11 S -","- C22 H26 O11 S -","- C44 H52 O22 S2 -","2","2","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.1079","0.0505","","","0.1131","0.1329","","","","","","1.048","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024076","9.395","0.003","11.052","0.004","13.035","0.004","106.77","0.03","91.97","0.03","93.72","0.03","1291.2","0.8","298","2","298","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C26 H38 N2 O4 -","- C26 H38 N2 O4 -","- C52 H76 N4 O8 -","2","2","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0462","0.0416","","","0.1127","0.1168","","","","","","1.042","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024106","8.083","0.001","11.4021","0.0013","14.4056","0.0017","92.201","0.004","90.443","0.004","104.495","0.005","1284.3","0.3","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C10 H17 N3 O5 -","- C10 H17 N3 O5 -","- C40 H68 N12 O20 -","4","4","","Olivier Loiseleur; Dougal Ritson; Mafalda Nina; Patrick Crowley; Trixie Wagner; Stephen Hanessian","Ring-Modified Analogues and Molecular Dynamics Studies To Probe the Requirements for Fungicidal Activities of Malayamycin A and Its N-Nucleoside Variants","Journal of Organic Chemistry","2007","72","","6353","6363","10.1021/jo070520d","","","1.54178","CuKα","","0.0506","0.0482","","","0.1284","0.1318","","","","","","1.041","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024123","12.432","0.0002","16.2601","0.0003","17.7369","0.0003","74.3751","0.0009","83.9217","0.0009","74.2005","0.0008","3320.44","0.1","173.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C36 H32 O8 S4 -","- C36 H32 O8 S4 -","- C144 H128 O32 S16 -","4","4","","Takanori Shibata; Hiroshi Kurokawa; Kazumasa Kanda","Enantioselective Intramolecular [2 + 2 + 2] Cycloaddition of Enediynes for the Synthesis of Chiral Cyclohexa-1,3-dienes","Journal of Organic Chemistry","2007","72","","6521","6525","10.1021/jo070762d","","","1.54187","CuKα","","","0.0482","","","","0.0556","","","","","","6.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024148","10.5853","0.0003","14.0278","0.0004","14.5458","0.0004","63.584","0.001","86.746","0.002","72.257","0.002","1834.47","0.09","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H31 N O10 S -","- C41 H31 N O10 S -","- C82 H62 N2 O20 S2 -","2","2","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.1256","0.0769","","","0.1891","0.2234","","","","","","1.023","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024178","7.9747","0.0003","15.2901","0.0006","10.4868","0.0004","90.01","","99.03","","90","","1262.86","0.08","173","","173","","","","","","","","","6","P 1","P 1","1","PdCl2(t-Bu-QuinoxP*)","[(R,R)-2,3-bis((tert-butyl)methylphosphino)quinoxaline]dichloropalladium","","- C38 H60 Cl8 N4 P4 Pd2 -","- C19 H30 Cl4 N2 P2 Pd -","- C38 H60 Cl8 N4 P4 Pd2 -","2","2","","Tsuneo Imamoto; Miwako Nishimura; Aya Koide; Kazuhiro Yoshida","t-Bu-QuinoxP* Ligand: Applications in Asymmetric Pd-Catalyzed Allylic Substitution and Ru-Catalyzed Hydrogenation","Journal of Organic Chemistry","2007","72","","7413","7416","10.1021/jo071192k","","","0.71073","MoKα","","0.0201","0.0198","","","0.0503","0.0504","","","","","","1.099","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024245","10.0109","0.0007","11.0993","0.0012","11.8283","0.0014","73.54","0.004","84.798","0.006","85.389","0.006","1253.2","0.2","150","1","150","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C54 H52 N4 O12 S2 -","2","2","","Alena Rudolph; Nils Rackelmann; Marc-Olivier Turcotte-Savard; Mark Lautens","Application of Secondary Alkyl Halides to a Domino Aryl Alkylation Reaction for the Synthesis of Aromatic Heterocycles","Journal of Organic Chemistry","2009","74","","289","297","10.1021/jo802180h","","","0.71073","MoKα","","0.1384","0.0731","","","0.1636","0.2056","","","","","","1.025","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024312","8.351","0.004","10.977","0.002","12.4447","0.0015","63.902","0.001","77.89","0.02","67.88","0.04","947.7","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C42 H56 N4 O6 -","2","2","","Mercedes Amat; Arantxa Gómez-Esqué; Carmen Escolano; María M. M. Santos; Elies Molins; Joan Bosch","Enantioselective Formal Synthesis of (+)-Dihydrocorynantheine and (-)-Dihydrocorynantheol","Journal of Organic Chemistry","2009","74","","1205","1211","10.1021/jo802387c","","x-ray","0.71073","MoKα","","0.0445","0.039","","","0.1039","0.1067","","","","","","1.095","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024387","5.5066","0.0002","8.4345","0.0004","9.5074","0.0004","64.62","0.004","89.601","0.004","89.365","0.004","398.93","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H20 Br2 O5 -","- C13 H20 Br2 O5 -","- C13 H20 Br2 O5 -","1","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","","0.032","0.0319","","","0.0828","0.0829","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024478","9.5958","0.0019","12.452","0.003","15.882","0.003","90.36","0.03","92.27","0.03","98.29","0.03","1876.2","0.7","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H25 F3 N2 O4 -","- C15 H25 F3 N2 O4 -","- C60 H100 F12 N8 O16 -","4","4","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.1541","0.0648","","","0.11","0.1325","","","","","","1.012","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024575","5.8352","0.0002","7.9311","0.0003","20.5792","0.0008","100.02","0.003","92.974","0.003","92.513","0.003","935.25","0.06","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","2","","Robert Cysewski; Marcin Kwit; Beata Warżajtis; Urszula Rychlewska; Jacek Gawroński","Synthesis, Conformation and Chiroptical Properties of Diaryl Esters of Tartaric Acid","Journal of Organic Chemistry","2009","74","","4573","4583","10.1021/jo900206c","","","0.71073","MoKα","","0.0397","0.0295","","","0.0625","0.0659","","","","","","0.952","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024618","9.8375","0.0013","10.8487","0.0014","14.9223","0.0018","95.264","0.004","90.527","0.004","91.967","0.004","1584.8","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H40 I N3 O5 -","- C31 H40 I N3 O5 -","- C62 H80 I2 N6 O10 -","2","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0679","0.0589","","","0.1633","0.1712","","","","","","1.06","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024710","8.06","0.002","8.128","0.002","20.018","0.006","89.896","0.004","81.309","0.004","73.202","0.004","1239.8","0.6","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H32 O4.5 Si -","- C25 H32 O4.5 Si -","- C50 H64 O9 Si2 -","2","2","","Lauren E. Brown; Yakira R. Landaverry; James R. Davies; Kristin A. Milinkevich; Sandra Ast; Joseph S. Carlson; Allen G. Oliver; Joseph P. Konopelski","Progress toward the Total Synthesis of Psymberin/Irciniastatin A","Journal of Organic Chemistry","2009","74","","5405","5410","10.1021/jo9009003","","","0.71073","MoKα","","0.087","0.054","","","0.1109","0.1268","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024782","7.3242","0.0007","10.7071","0.0011","11.3268","0.0012","96.261","0.002","99.177","0.002","108.178","0.002","821.1","0.14","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H38 N10 O8.5 -","- C32 H38 N10 O8.498 -","- C32 H38 N10 O8.498 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0467","0.0417","","","0.0931","0.0961","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024783","7.3665","0.0005","10.55","0.0007","11.8151","0.0008","75.807","0.001","73.801","0.001","71.538","0.001","823.9","0.1","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H40 N10 O9 -","- C34 H40 N10 O9 -","- C34 H40 N10 O9 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0365","0.0346","","","0.0898","0.0912","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024784","7.8036","0.0003","10.1562","0.0003","12.3581","0.0003","93.768","0.002","94.058","0.003","101.822","0.003","953.03","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H44 N10 O8 -","- C41 H44 N10 O8 -","- C41 H44 N10 O8 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","1.5418","CuKα","","0.0335","0.0333","","","0.0925","0.0929","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024882","13.1824","0.0008","14.2832","0.0009","17.092","0.001","91.782","0.005","109.531","0.005","115.968","0.006","2666.3","0.3","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C78 H148 Br4 N20 O37 P6 -","- C78 H130 Br4 N20 O37 P6 -","- C78 H130 Br4 N20 O37 P6 -","1","1","","Carla Bazzicalupi; Andrea Bencini; Silvia Biagini; Enrico Faggi; Stefano Meini; Claudia Giorgi; Alessio Spepi; Barbara Valtancoli","Exploring the Binding Ability of Phenanthroline-Based Polyammonium Receptors for Anions: Hints for Design of Selective Chemosensors for Nucleotides","Journal of Organic Chemistry","2009","74","","7349","7363","10.1021/jo901423m","","","0.71073","MoKα","","0.1686","0.0777","","","0.1769","0.218","","","","","","0.899","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024969","7.8454","0.0002","9.7552","0.0003","11.3075","0.0003","81.061","0.002","75.932","0.002","89.738","0.002","828.75","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","9β,11β-epoxy-16β-methylandrost-1,4-diene-3,17-dione","","- C20 H24 O3 -","- C20 H24 O3 -","- C40 H48 O6 -","2","2","","Rui M. A. Pinto; Jorge A. R. Salvador; Christophe Le Roux; José A. Paixão","Bismuth(III) Triflate-Catalyzed Direct Conversion of Corticosteroids into Highly Functionalized 17-Ketosteroids by Cleavage of the C17-Dihydroxyacetone Side Chain","Journal of Organic Chemistry","2009","74","","8488","8491","10.1021/jo9018478","","","0.71073","MoKα","","0.0864","0.0668","","","0.1395","0.1493","","","","","","1.109","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4025122","12.4479","0.0013","12.4665","0.0013","16.814","0.002","102.449","0.003","103.13","0.003","90.26","0.002","2477.3","0.5","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C54 H58 O16 -","- C54 H58 O16 -","- C108 H116 O32 -","2","2","","Erin M. O'Brien; Barbara J. Morgan; Carol A. Mulrooney; Patrick J. Carroll; Marisa C. Kozlowski","Perylenequinone Natural Products: Total Synthesis of Hypocrellin A","Journal of Organic Chemistry","2010","75","","57","68","10.1021/jo901386d","","","0.71069","MoKα","","0.0925","0.0796","","","0.2148","0.2357","","","","","","1.043","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025126","10.7","0.011","12.304","0.012","8.209","0.005","100.87","0.06","101.46","0.06","71.47","0.08","995.1","1.6","133.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C22 H29 Br O2 -","- C22 H29 Br O2 -","- C44 H58 Br2 O4 -","2","2","","Node, Manabu; Ozeki, Minoru; Planas, Loïc; Nakano, Masashi; Takita, Hirofumi; Mori, Daisuke; Tamatani, Shinji; Kajimoto, Tetsuya","Efficient Asymmetric Synthesis ofabeo-Abietane-Type Diterpenoids by Using the Intramolecular Heck Reaction","Journal of Organic Chemistry","2010","75","1","190","196","10.1021/jo901972b","","","0.71069","MoKα","","","0.0952","","","","0.1294","","","","","","2.708","","","","has coordinates","210086","2020-10-21","18:00:00",""
"4025132","5.8985","0.0001","9.6146","0.0002","10.1578","0.0002","107.73","0.001","103.154","0.001","107.355","0.001","490.554","0.018","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","2","","Soyeong Kang; Hyeon-Kyu Lee","Highly Efficient, Enantioselective Syntheses of (S)-(+)- and (R)-(-)-Dapoxetine Starting with 3-Phenyl-1-propanol","Journal of Organic Chemistry","2010","75","","237","240","10.1021/jo902176s","","","0.71073","MoKα","","0.0498","0.0385","","","0.0904","0.0965","","","","","","1.068","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025148","10.3691","0.0005","10.4155","0.0005","11.0993","0.0005","64.144","0.001","71.293","0.001","63.249","0.001","951.65","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","1","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0446","0.0433","","","0.1125","0.1136","","","","","","1.046","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025153","8.766","","12.419","","16.03","","92.17","","92.89","","90.28","","1741.59","","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H41 N O6 S -","- C37 H40.5 N O6 S -","- C74 H81 N2 O12 S2 -","2","2","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.1301","0.0611","","","0.2003","0.2209","","","","","","1.333","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025364","10.6012","0.0005","12.3725","0.0005","12.9208","0.0006","67.756","0.001","65.93","0.001","65.849","0.001","1365.6","0.11","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H31 Cl2 O2 P Pd S -","- C26 H31 Cl2 O2 P Pd S -","- C52 H62 Cl4 O4 P2 Pd2 S2 -","2","2","","Xisco Caldentey; Miquel A. Pericàs","Phosphinite Thioethers Derived from Chiral Epoxides. Modular P,S-Ligands for Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2010","75","","2628","2644","10.1021/jo100223w","","","0.71073","MoKα","","0.0243","0.023","","","0.0554","0.0561","","","","","","1.015","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4025530","9.9285","0.0017","10.4828","0.0017","13.09","0.002","93.652","0.003","110.835","0.003","94.013","0.004","1264.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H36 N4 O -","- C29 H36 N4 O -","- C58 H72 N8 O2 -","2","2","","Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin","1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching","Journal of Organic Chemistry","2010","75","","4706","4715","10.1021/jo100384s","","","0.71073","MoKα","","0.1176","0.0913","","","0.1778","0.1924","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025565","12.545","0.003","14.913","0.003","15.33","0.003","77.622","0.003","66.601","0.003","78.839","0.003","2552.1","0.9","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-D-Leu-Aib-D-Leu-Leu-Aib-OMe, MeCN","","- C40 H73 N7 O9 -","- C40 H73 N7 O9 -","- C80 H146 N14 O18 -","2","2","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.095","0.0775","","","0.1905","0.1971","","","","","","0.99","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025594","11.1451","0.0011","11.2829","0.001","11.9726","0.0016","85.201","0.011","76.936","0.011","90","0.012","1461.2","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","(1R,5R)-1,5-diphenylpentane-1,5-diol","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","4","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","1.54178","CuKα","","0.2343","0.1079","","","0.2119","0.2872","","","","","","1.053","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025733","6.6667","0.0002","11.1767","0.0003","15.5388","0.0004","78.951","0.001","79.354","0.001","73.025","0.001","1076.57","0.05","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C18 H33 N3 O4 Si -","- C18 H33 N3 O4 Si -","- C36 H66 N6 O8 Si2 -","2","2","","Ji S. Ko; Ji E. Keum; Soo Y. Ko","A Synthesis of Oseltamivir (Tamiflu) Starting fromd-Mannitol","Journal of Organic Chemistry","2010","75","","7006","7009","10.1021/jo101517g","","","0.71073","MoKα","","0.0596","0.0484","","","0.1235","0.1327","","","","","","1.062","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025774","11.2986","0.0003","14.5663","0.0004","15.2241","0.0004","100.376","0.002","91.986","0.001","99.81","0.002","2423.03","0.11","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H29 N O4 S -","- C27 H29 N O4 S -","- C108 H116 N4 O16 S4 -","4","4","","Maria-Eleni Ragoussi; Stephen M. Walker; Andrea Piccanello; Benson M. Kariuki; Peter N. Horton; Neil Spencer; John S. Snaith","Stereoselective Synthesis of 2,4,5-Trisubstituted Piperidines via Radical Cyclization","Journal of Organic Chemistry","2010","75","","7347","7357","10.1021/jo101631y","","","0.71073","MoKα","","0.0904","0.05","","","0.1009","0.1158","","","","","","1.025","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025849","9.7315","0.0003","10.5112","0.0003","11.3814","0.0004","64.3905","0.0014","87.8962","0.0014","85.514","0.0015","1046.61","0.06","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C25 H26.5 Cl N O2 -","- C25 H26.5 Cl N O2 -","- C50 H53 Cl2 N2 O4 -","2","2","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.1095","0.0992","","0.094","0.0865","0.0838","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025868","5.8952","0.0002","10.8623","0.0006","17.4689","0.0008","88.961","0.004","81.329","0.004","87.944","0.004","1105.04","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H31 Cl3 O4 -","- C21 H31 Cl3 O4 -","- C42 H62 Cl6 O8 -","2","2","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","1.54184","CuKα","","0.0995","0.0938","","","0.272","0.295","","","","","","1.41","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025907","10.064","0.008","10.526","0.008","11.221","0.008","64.673","0.009","87.338","0.01","67.624","0.01","983.8","1.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H20 F3 N3 O3 -","- C22 H20 F3 N3 O3 -","- C44 H40 F6 N6 O6 -","2","2","","Eric A. Voight; Jerome F. Daanen; Michael E. Kort","Synthesis of Oxazolo[4,5-c]quinoline TRPV1 Antagonists","Journal of Organic Chemistry","2010","75","","8713","8715","10.1021/jo101938b","","","0.71073","MoKα","","0.0565","0.0503","","","0.1309","0.1375","","","","","","1.027","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4026044","5.958","0.0002","9.2476","0.0003","14.1993","0.0005","91.391","0.002","97.183","0.002","107.512","0.002","738.64","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0297","0.0292","","","0.0833","0.0837","","","","","","1.336","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026046","7.1279","0.0004","8.8202","0.0005","13.1405","0.0008","102.542","0.003","92.659","0.003","95.43","0.003","800.9","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0285","0.0278","","","0.0773","0.0781","","","","","","1.139","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026048","6.036","0.0002","9.4615","0.0004","14.6013","0.0005","83.438","0.002","84.291","0.002","71.75","0.002","784.95","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0323","0.0317","","","0.0831","0.084","","","","","","1.029","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026050","8.8898","0.0004","12.061","0.0005","15.2167","0.0007","72.416","0.002","81.661","0.003","75.268","0.003","1500.05","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H17 F N2 O3 -","- C16 H17 F N2 O3 -","- C64 H68 F4 N8 O12 -","4","4","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0398","0.0356","","","0.089","0.0928","","","","","","1.034","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026056","6.2724","0.0002","8.1395","0.0003","11.915","0.0005","99.035","0.003","95.226","0.003","96.713","0.003","592.92","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","MBB I-117","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","1","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.0537","0.0465","","","0.1219","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026203","6.3446","0.0003","11.0696","0.0005","13.4095","0.0008","102.652","0.002","95.2089","0.0019","101.729","0.004","890.65","0.08","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H25 Cl N2 O S -","- C16 H25 Cl N2 O S -","- C32 H50 Cl2 N4 O2 S2 -","2","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0917","0.0605","","","0.1451","0.1706","","","","","","1.004","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026271","10.6042","0.0015","11.3172","0.0018","13.244","0.002","90.326","0.008","102.534","0.009","91.518","0.011","1550.9","0.4","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H37 N3 O5 S -","- C34 H37 N3 O5 S -","- C68 H74 N6 O10 S2 -","2","2","","Peng Chen; Jin Qu","Backbone Modification of β-Hairpin-Forming Tetrapeptides in Asymmetric Acyl Transfer Reactions","Journal of Organic Chemistry","2011","76","","2994","3004","10.1021/jo200403g","","","0.71075","MoKα","","0.0778","0.0695","","","0.2177","0.2218","","","","","","1.08","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026361","5.1335","0.0014","10.319","0.003","10.983","0.003","75.541","0.009","84.199","0.01","88.679","0.01","560.5","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C28 H28 N4 O2 -","2","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.1124","0.0924","","","0.2292","0.2469","","","","","","1.085","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026381","6.914","0.0003","7.7171","0.0005","9.616","0.0003","89.63","0.004","71.921","0.003","87.634","0.004","487.31","0.04","150","1","150","1","","","","","","","","5","P 1","P 1","1","","","","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","1","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0282","0.0279","","","0.0706","0.071","","","","","","1.086","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026533","5.9088","0.0001","8.2275","0.0001","8.8385","0.0002","94.299","0.001","102.726","0.001","93.867","0.001","416.386","0.013","293","2","293","2","","","","","","","","4","P 1","P 1","1","phenyl phenylselenyl isochromen","3-phenyl-4-(phenylselenyl)-1H-isochromen-1-one","","- C21 H14 O2 Se -","- C21 H14 O2 Se -","- C21 H14 O2 Se -","1","1","","Adriane Sperança; Benhur Godoi; Simone Pinton; Davi F. Back; Paulo H. Menezes; Gilson Zeni","Regioselective Synthesis of Isochromenones by Iron(III)/PhSeSePh-Mediated Cyclization of 2-Alkynylaryl Esters","Journal of Organic Chemistry","2011","76","","6789","6797","10.1021/jo201211s","","","0.71073","MoKα","","0.0387","0.0349","","","0.083","0.085","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026587","14.5401","0.0015","15.8885","0.0015","18.4527","0.0015","86.76","0.005","79.926","0.005","64.92","0.005","3800.8","0.6","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C31 H60 O7 Si2 -","- C31 H60 O7 Si2 -","- C124 H240 O28 Si8 -","4","4","","Venkata Velvadapu; Tapas Paul; Bharat Wagh; Ian Glassford; Charles DeBrosse; Rodrigo B. Andrade","Total Synthesis of (-)-4,8,10-Tridesmethyl Telithromycin","Journal of Organic Chemistry","2011","76","","7516","7527","10.1021/jo201319b","","","0.71073","MoKα","","0.0944","0.077","","","0.1958","0.2169","","","","","","1.117","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026652","5.2641","0.0006","12.0548","0.0013","16.4307","0.0015","74.96","0.004","83.959","0.004","80.275","0.004","990.4","0.18","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0284","0.0259","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026708","8.2762","0.0008","9.5852","0.0009","12.597","0.0013","82.36","0.02","80.27","0.02","77.15","0.02","955.53","0.19","295","2","295","2","","","","","","","","4","P 1","P 1","1","","Tetramethyl 2,2'-((9S,10R)-1,2,3,5,6,7- hexamethoxy-9,10-dihydroanthracene- 9,10-diyl)-bis(methylene)dimalonate","","- C32.25 H41.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","1","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0417","0.035","","","0.0992","0.1056","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026942","8.655","0.003","11.543","0.004","12.702","0.004","63.88","0.03","70.64","0.03","89.42","0.03","1061.1","0.7","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C40 H50 N2 O20 -","2","2","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.068","","","","0.114","","","","","","1.07","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027001","5.8915","0.0004","6.4911","0.0004","8.4228","0.0005","107.971","0.006","101.168","0.006","105.691","0.006","281.14","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C11 H17 N O3 -","1","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.068","0.0473","","","0.092","0.1022","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027213","13.3456","0.0017","13.9614","0.0018","17.993","0.002","80.542","0.004","76.244","0.004","81.536","0.004","3191.6","0.7","142","2","142","2","","","","","","","","8","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O2 P -","- C63 H54 B F24 Ir N O2 P -","- C126 H108 B2 F48 Ir2 N2 O4 P2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0702","0.0613","","","0.1567","0.1643","","","","","","1.075","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027215","13.3687","0.0003","13.9471","0.0002","18.1489","0.0004","80.297","0.001","75.627","0.001","81.943","0.001","3213.96","0.11","152","2","152","2","","","","","","","","9","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O P S -","- C63 H54 B F24 Ir N O P S -","- C126 H108 B2 F48 Ir2 N2 O2 P2 S2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0547","0.0451","","","0.1189","0.1243","","","","","","1.045","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027404","7.2921","0.0004","7.3234","0.0004","9.7967","0.0006","102.695","0.003","94.987","0.003","109.832","0.002","472.62","0.05","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","1","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0319","0.0305","","0.074","0.0728","0.074","","","","","","0.9999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027501","7.5536","0.0018","7.5571","0.0018","16.888","0.004","91.672","0.003","98.728","0.003","102.127","0.003","929.7","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H22 Br N O4 S -","- C18 H22 Br N O4 S -","- C36 H44 Br2 N2 O8 S2 -","2","2","","Yun-Long Guo; Jian-Fei Bai; Lin Peng; Liang-Liang Wang; Li-Na Jia; Xi-Ya Luo; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","Direct Asymmetric Vinylogous Mannich Reaction of 3,4-Dihalofuran-2(5H)-one with Aldimine Catalyzed by Quinine","Journal of Organic Chemistry","2012","77","","8338","8343","10.1021/jo301115t","","","0.71073","MoKα","","0.0584","0.0457","","","0.1174","0.1274","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027591","11.759","0.002","13.661","0.003","13.815","0.003","73.33","0.03","67.47","0.03","83.35","0.03","1963.7","0.9","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","cyclo(Leu-D-Leu-Aib)2","","","- C33 H62 N6 O7 -","- C33 H62 N6 O7 -","- C66 H124 N12 O14 -","2","2","","Yosuke Demizu; Saori Nagoya; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Masaaki Kurihara","Twisted Structure of a Cyclic Hexapeptide Containing a Combination of Alternating l-Leu-d-Leu-Aib Segments","Journal of Organic Chemistry","2012","77","","9361","9365","10.1021/jo301509c","","","0.71073","MoKα","","0.0919","0.0774","","","0.2134","0.2288","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027635","7.521","0.0003","7.9161","0.0003","12.1346","0.0004","80.898","0.002","72.304","0.002","87.498","0.002","679.6","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","Pactamycate Ethanol Solvate","","","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","1","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","","0.0326","0.0317","","","0.0841","0.0848","","","","","","1.046","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027646","6.2487","0.0002","12.2923","0.0004","13.6193","0.0005","113.238","0.002","90.23","0.002","101.336","0.002","938.62","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","1","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","","0.0408","0.0397","","","0.1086","0.1097","","","","","","1.037","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027697","10.591","0.0007","11.4087","0.001","12.7478","0.001","107.199","0.004","110.878","0.004","95.198","0.004","1341.27","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H10 F28 O4 -","- C19 H10 F28 O4 -","- C38 H20 F56 O8 -","2","2","","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","","0.1055","0.0542","","","0.1222","0.1408","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027698","10.8442","0.0009","12.6035","0.0009","13.4532","0.0006","107.292","0.004","107.556","0.006","97.246","0.003","1626.1","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","1","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","","0.1084","0.0752","","","0.1939","0.2132","","","","","","1.054","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027699","13.6774","0.0008","13.8975","0.001","14.0556","0.0008","67.935","0.004","67.245","0.004","83.498","0.004","2281.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H10 F52 O4 -","- C31 H10 F52 O4 -","- C62 H20 F104 O8 -","2","2","","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","","0.0934","0.0517","","","0.116","0.1295","","","","","","1.004","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027705","8.4682","0.0004","10.9244","0.0004","13.2571","0.0005","108.543","0.002","100.404","0.002","104.79","0.002","1077.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H10 F20 O4 -","- C15 H10 F20 O4 -","- C30 H20 F40 O8 -","2","2","","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","","0.0745","0.0477","","","0.1126","0.125","","","","","","1.026","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027727","7.326","0.001","15.248","0.001","22.073","0.001","77.55","0.01","82.9","0.01","76.99","0.01","2338.6","0.4","100","2","100","2","","","","","","","methylene chloride/methanol","4","P 1","P 1","1","","","","- C36 H40 N4 O5 -","- C36 H40 N4 O5 -","- C108 H120 N12 O15 -","3","3","","Andrei Kozyrev; Manivannan Ethirajan; Ping Chen; Kei Ohkubo; Byron C. Robinson; Kathleen M. Barkigia; Shunichi Fukuzumi; Karl M. Kadish; Ravindra K. Pandey","Synthesis, Photophysical and Electrochemistry of Near-IR Absorbing Bacteriochlorins Related to Bacteriochlorophylla","Journal of Organic Chemistry","2012","77","","10260","10271","10.1021/jo301895p","","","0.9","synchrotron","","0.0802","0.0782","","0.2091","","0.2037","","","1.06","","","1.052","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027860","5.7004","0.0002","7.3619","0.0003","8.3143","0.0003","108.938","0.0017","90.932","0.002","104.803","0.002","317.19","0.02","160","1","160","1","","","","","","","","4","P 1","P 1","1","","(3R)-3-acetamido-3-methyl-1-[1-(N-methylcarbamoyl)isopropyl]azetidin-2-one","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","1","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0421","0.039","","","0.0987","0.102","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027893","7.8828","0.0004","10.6926","0.0005","20.2725","0.0009","105.055","0.001","92.644","0.001","94.146","0.001","1642.01","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H50 F3 N O7 S Si -","- C28 H50 F3 N O7 S Si -","- C56 H100 F6 N2 O14 S2 Si2 -","2","2","","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","","0.0557","0.0424","","","0.1076","0.1203","","","","","","1.07","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4028022","7.359","0.005","7.989","0.005","12.405","0.005","83.867","0.005","80.951","0.005","87.08","0.005","715.7","0.7","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","2","","Biswajit Panda; Tarun K. Sarkar","Gold Catalysis: Regio- and Stereoselective Total Synthesis of Xyloketals D and G and the Related Natural Product Alboatrin","Journal of Organic Chemistry","2013","78","","2413","2421","10.1021/jo302545n","","","0.71073","MoKα","","0.1061","0.0545","","","0.1526","0.1899","","","","","","1.016","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028076","8.9185","0.0011","10.0484","0.0013","11.7694","0.0015","66.01","0.003","68.622","0.003","67.713","0.003","863.6","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C40 H40 O6 S -","- C40 H40 O6 S -","- C40 H40 O6 S -","1","1","","Olivier St-Jean; Michel Prévost; Yvan Guindon","Study of the Endocyclic versus Exocyclic C-O Bond Cleavage Pathways of α- and β-Methyl Furanosides","Journal of Organic Chemistry","2013","78","","2935","2946","10.1021/jo3027438","","","0.71073","MoKα","","0.0435","0.036","","","0.0724","0.0752","","","","","","1.03","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028109","8.4185","0.0001","10.1636","0.0001","10.2129","0.0001","94.193","0.001","110.298","0.001","113.931","0.001","725.441","0.017","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C35 H33 N O4 S -","1","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0385","0.0351","","","0.0925","0.0981","","","","","","1.055","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028110","10.8387","0.001","12.1976","0.001","13.2644","0.0011","107.99","0.006","92.021","0.006","92.084","0.006","1664.8","0.3","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C76 H78 N2 O8 S2 -","2","2","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.1261","0.0897","","","0.2183","0.2476","","","","","","1.046","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028178","9.6086","0.0004","11.3986","0.0005","14.7124","0.0006","89.194","0.003","83.704","0.003","73.888","0.003","1538.51","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 I N O6 S -","- C28 H24 I N O6 S -","- C56 H48 I2 N2 O12 S2 -","2","2","","Xiaoyi Xin; Dongping Wang; Fan Wu; Xincheng Li; Boshun Wan","Cyclization and N-Iodosuccinimide-Induced Electrophilic Iodocyclization of 3-Aza-1,5-enynes To Synthesize 1,2-Dihydropyridines and 3-Iodo-1,2-dihydropyridines","Journal of Organic Chemistry","2013","78","","4065","4074","10.1021/jo400387b","","","0.71073","MoKα","","0.0698","0.0509","","","0.1646","0.1811","","","","","","1.059","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028180","8.2414","0.0002","9.3417","0.0003","9.8011","0.0008","94.71","0.006","114.659","0.004","105.507","0.005","644.44","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 I O3 -","- C14 H13 I O3 -","- C28 H26 I2 O6 -","2","2","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.017","0.0163","","0.0387","0.0374","0.0374","","","","","","1.0585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028213","9.822","0.002","9.849","0.002","10.995","0.003","95.962","0.004","112.616","0.004","106.985","0.004","910.4","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","1","1","","Ken S. Feldman; Brandon R. Selfridge","Synthesis Studies on the Lomaiviticin A Aglycone Core: Development of a Divergent, Two-Directional Strategy","Journal of Organic Chemistry","2013","78","","4499","4511","10.1021/jo4005074","","","0.71073","MoKα","","0.0438","0.0407","","","0.1067","0.1099","","","","","","1.027","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028239","7.7674","0.0003","9.3961","0.0004","10.3181","0.0004","94.823","0.004","108.859","0.004","110.954","0.004","648.29","0.06","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","1","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0546","0.0447","","","0.0896","0.0971","","","","","","1.053","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028405","7.0843","0.0005","8.9087","0.0006","24.7678","0.0018","88.059","0.0008","89.276","0.0009","88.0016","0.0009","1561.19","0.19","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H44 N4 O7 Si2 -","- C25 H44 N4 O7 Si2 -","- C50 H88 N8 O14 Si4 -","2","2","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.0498","0.0464","","","0.1216","0.1251","","","","","","1.018","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028474","6.8899","0.0001","9.0638","0.0001","11.7741","0.0002","90.773","0.001","101.424","0.001","111.34","0.001","668.341","0.018","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H3 Br2 Cl2 I N2 -","- C10 H3 Br2 Cl2 I N2 -","- C20 H6 Br4 Cl4 I2 N4 -","2","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","","0.0289","0.0282","","","0.0711","0.0718","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028510","8.0808","0.0018","10.686","0.004","14.044","0.005","86.22","0.03","75.19","0.02","79.31","0.02","1151.9","0.7","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C52 H54 N2 O10 S2 -","2","2","","Philip C. Bulman Page; Louise F. Appleby; Yohan Chan; David P. Day; Benjamin R. Buckley; Alexandra M. Z. Slawin; Steven M. Allin; Michael J. McKenzie","Kinetic Resolution in Asymmetric Epoxidation using Iminium Salt Catalysis","Journal of Organic Chemistry","2013","78","","8074","8082","10.1021/jo401345m","","","0.71075","MoKα","","","0.0683","","","","0.1993","","","","","","0.804","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028530","5.4454","0.0015","8.372","0.002","9.793","0.003","84.238","0.005","83.54","0.004","78.233","0.005","432.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N O8 -","- C16 H23 N O8 -","- C16 H23 N O8 -","1","1","","Suresh Dharuman; Preeti Gupta; Pavan K. Kancharla; Yashwant D. Vankar","Synthesis of 2-Nitroglycals from Glycals Using the Tetrabutylammonium Nitrate-Trifluoroacetic Anhydride-Triethylamine Reagent System and Base-Catalyzed Ferrier Rearrangement of Acetylated 2-Nitroglycals","Journal of Organic Chemistry","2013","78","","8442","8450","10.1021/jo401165y","","","0.71073","MoKα","","0.0687","0.0507","","","0.1065","0.1438","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028616","8.585","0.008","8.79","0.008","12.585","0.011","89.579","0.012","82.776","0.011","67.638","0.01","870.5","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H47 N O11 -","- C38 H47 N O11 -","- C38 H47 N O11 -","1","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0777","0.0704","","","0.1957","0.2114","","","","","","1.039","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028637","6.536","0.001","15.092","0.002","16.092","0.003","114.521","0.003","99.953","0.003","93.66","0.003","1406.1","0.4","120","0.2","120","0.2","","","","","","","","5","P 1","P 1","1","","","","- C29 H37 I N2 O4 -","- C29 H37 I N2 O4 -","- C58 H74 I2 N4 O8 -","2","2","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0679","0.0619","","","0.149","0.1521","","","","","","1.091","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028678","9.488","0.005","9.065","0.005","29.064","0.005","90","0.005","98.599","0.005","90","0.005","2471.7","1.9","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C128 H100 N12 -","4","4","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71069","MoKα","","0.0731","0.0517","","","0.1368","0.1558","","","","","","1.081","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028709","6.0447","0.0003","6.9522","0.0004","7.2801","0.0005","72.905","0.004","71.641","0.003","69.728","0.004","266.45","0.03","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C10 H16 O5 -","1","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0411","0.0387","","","0.1038","0.1066","","","","","","1.059","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028723","7.5628","0.0005","7.661","0.0006","17.1065","0.0013","89.004","0.002","78.407","0.002","85.986","0.002","968.52","0.12","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","1","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1189","0.0823","","","0.1867","0.2147","","","","","","0.972","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028725","7.7917","0.0009","16.4403","0.0019","17.186","0.002","76.699","0.008","89.404","0.009","84.78","0.008","2133.4","0.4","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H48 F6 N4 Si2 -","- C44 H48 F6 N4 Si2 -","- C88 H96 F12 N8 Si4 -","2","2","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1823","0.0896","","","0.2038","0.2589","","","","","","1.017","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028735","10.9237","0.0005","13.289","0.0006","13.9727","0.0005","63.682","0.002","81.338","0.002","81.12","0.002","1788.56","0.14","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H42 N2 O12 -","- C37 H42 N2 O12 -","- C74 H84 N4 O24 -","2","2","","Carlos Aydillo; Claudio D. Navo; Jesús H. Busto; Francisco Corzana; María M. Zurbano; Alberto Avenoza; Jesús M. Peregrina","A Double Diastereoselective Michael-Type Addition as an Entry to Conformationally Restricted Tn Antigen Mimics","Journal of Organic Chemistry","2013","78","","10968","10977","10.1021/jo4019396","","","0.71073","MoKα","","0.0988","0.0565","","","0.1411","0.1705","","","","","","1.004","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028749","8.7196","0.0003","12.0985","0.0005","18.3711","0.0006","99.33","0.003","95.904","0.003","90.344","0.003","1901.75","0.12","291","2","291.15","","","","","","","","","6","P 1","P 1","1","","","","- C18 H18 Cl N2 O4 P -","- C18 H18 Cl N2 O4 P -","- C72 H72 Cl4 N8 O16 P4 -","4","4","","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","","","1.5418","CuKα","","0.0664","0.0474","","","0.1334","0.1625","","","","","","1.021","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028758","8.27","0.0012","9.0465","0.0019","16.281","0.003","83.342","0.017","77.216","0.014","87.954","0.015","1179.8","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(2R,4R,5S)-4-ethyl 2-methyl 5-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl] -1-tosylpyrrolidine-2,4-dicarboxylate","","- C21 H29 N O8 S -","- C21 H29 N O8 S -","- C42 H58 N2 O16 S2 -","2","2","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.2437","0.0978","","","0.232","0.3064","","","","","","0.939","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028834","10.381","0.0008","14.179","0.0011","14.3223","0.0011","105.91","0.001","103.484","0.001","110.783","0.001","1762.8","0.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-(D-Leu-Leu-Aib)3-OMe","","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","1","1","","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","","0.0792","0.077","","","0.2063","0.2081","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028836","5.041","0.003","10.187","0.006","10.943","0.007","92.56","0.03","95.52","0.04","101.11","0.04","547.7","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","1","1","","Michael W. Giuliano; Stacy J. Maynard; Aaron M. Almeida; Andrew G. Reidenbach; Li Guo; Emily C. Ulrich; Ilia A. Guzei; Samuel H. Gellman","Evaluation of a Cyclopentane-Based γ-Amino Acid for the Ability to Promote α/γ-Peptide Secondary Structure","Journal of Organic Chemistry","2013","78","","12351","12361","10.1021/jo401501g","","","1.54178","CuKα","","0.0308","0.0307","","","0.0803","0.0805","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028884","10.6443","0.0005","12.4845","0.0006","12.8966","0.0006","104.609","0.002","96.556","0.002","104.52","0.002","1576.38","0.13","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H37 N O7 -","- C37 H37 N O7 -","- C74 H74 N2 O14 -","2","2","","Tobias Becker; Helmar Görls; Gerhard Pauls; Roland Wedekind; Marco Kai; Stephan H. von Reuß; Wilhelm Boland","Synthesis of Isoxazolin-5-one Glucosides by a Cascade Reaction","Journal of Organic Chemistry","2013","78","","12779","12783","10.1021/jo4023155","","","0.71073","MoKα","","0.0332","0.0299","","","0.0712","0.073","","","","","","1.041","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028947","8.0233","0.0001","13.3098","0.0002","13.8934","0.0002","90.0471","0.0009","98.014","0.001","92.658","0.001","1467.55","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H15 Br O2 S -","- C15 H15 Br O2 S -","- C60 H60 Br4 O8 S4 -","4","4","","García Ruano, José L.; Alemán, José; Parra, Alejandro; Alcudia, Ana; Maya, Celia","Synthesis and Stereoselective Halogenolysis of Optically Pure Benzylstannanes","The Journal of Organic Chemistry","2009","74","5","2145","2152","10.1021/jo802725r","","","0.71073","MoKα","","0.0447","0.0411","","","0.1078","0.1101","","","","","","1.035","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028953","6.109","0.0002","9.86","0.0004","15.031","0.0006","75.552","0.002","81.201","0.002","76.698","0.002","848.83","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","2","","Malkov, Andrei V.; Vranková, Kvetoslava; Stončius, Sigitas; Kočovský, Pavel","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations†","The Journal of Organic Chemistry","2009","74","16","5839","5849","10.1021/jo900561h","","x-ray","0.71073","MoKα","","0.0593","0.0463","","","0.1088","0.1152","","","","","","1.037","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4029008","5.0136","0.0008","5.3946","0.0006","9.3077","0.0013","84.817","0.01","82.484","0.012","80.657","0.011","245.65","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(2S,6S)-2,6-Dichloroheptane-1,7-diol","","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","1","1","","Swatschek, Jörg; Grothues, Lydia; Bauer, Jonathan O.; Strohmann, Carsten; Christmann, Mathias","A Formal, One-Pot β-Chlorination of Primary Alcohols and Its Utilization in the Transformation of Terpene Feedstock and the Synthesis of a C2-Symmetrical Terminal Bis-Epoxide.","The Journal of organic chemistry","2014","79","3","976","","10.1021/jo402422b","","","0.71073","MoKα","","0.0201","0.0198","","","0.053","0.0533","","","","","","1","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029100","6.1413","0.0002","8.6786","0.0003","14.2186","0.0006","84.699","0.002","83.15","0.002","74.522","0.002","723.67","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","Nitro DHA 056","","","- C18 H11 N3 O2 -","- C18 H11 N3 O2 -","- C36 H22 N6 O4 -","2","2","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.0341","0.0316","","","0.0783","0.0797","","","","","","1.04","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029269","9.6316","0.0004","10.2372","0.0004","10.7405","0.0005","97.58","0.002","94.223","0.002","108.013","0.002","990.93","0.07","150","2","150","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H30 N O3 P S -","- C18 H30 N O3 P S -","- C36 H60 N2 O6 P2 S2 -","2","2","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0304","0.0287","","","0.0731","0.0743","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029294","10.368","0.005","10.478","0.005","21.015","0.01","88.133","0.005","89.305","0.005","80.119","0.005","2247.9","1.9","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si2 -","- C19 H33 N O2 S Si2 -","- C76 H132 N4 O8 S4 Si8 -","4","4","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","0.71073","MoKα","","0.0567","0.0541","","","0.1392","0.1419","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029371","11.357","0.002","16.271","0.003","18.895","0.004","80.846","0.004","87.004","0.004","89.866","0.004","3442.4","1.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H46 N6 O7 -","- C33 H46 N6 O7 -","- C132 H184 N24 O28 -","4","4","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0952","0.0513","","","0.0967","0.1082","","","","","","0.872","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029620","12.4543","0.0004","12.4735","0.0005","12.4773","0.0004","66.229","0.001","66.251","0.002","85.637","0.001","1615.04","0.1","213.1","","","","","","","","","","","3","P 1","P 1","1","","","","- C36 H50 O4 -","- C36 H50 O4 -","- C72 H100 O8 -","2","2","","Mori, Tadashi; Grimme, Stefan; Inoue, Yoshihisa","A combined experimental and theoretical study on the conformation of multiarmed chiral aryl ethers.","The Journal of organic chemistry","2007","72","18","6998","7010","10.1021/jo071216n","","","0.7107","MoKα","","","0.074","","","","0.09","","","","","","2.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029931","10.1068","0.0003","11.4613","0.0003","20.4388","0.0007","77.611","0.003","83.791","0.003","79.541","0.002","2268.11","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H57 Br3 N6 O3 -","- C39 H57 Br3 N6 O3 -","- C78 H114 Br6 N12 O6 -","2","2","","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","","","1.54184","CuKα","","0.1178","0.0999","","","0.3166","0.3346","","","","","","1.347","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029935","13.361","0.002","16.306","0.003","20.844","0.003","74.337","0.003","75.436","0.003","81.902","0.003","4219","1.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Leu-Leu-Ac5N3)2-OMe","","- C42 H70 N18 O9 -","- C42 H70 N18 O9 -","- C126 H210 N54 O27 -","3","3","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.1013","0.0864","","","0.2284","0.2459","","","","","","1.023","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029975","9.6062","0.0014","18.877","0.003","20.063","0.003","107.633","0.009","98.257","0.01","97.712","0.009","3369.8","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H36 N2 O5 -","- C27 H35.8 N2 O5 -","- C135 H179 N10 O25 -","5","5","","Das, Sayantan; Goswami, Rajib Kumar","Stereoselective total synthesis of marine cyclodepsipeptide calcaripeptides a-C.","The Journal of organic chemistry","2014","79","20","9778","9791","10.1021/jo5019798","","","0.71073","MoKα","","0.1944","0.081","","","0.1786","0.2526","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030028","6.283","0.011","7.551","0.013","8.088","0.013","93.44","0.018","106.67","0.016","109.007","0.016","342.5","1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","1","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71075","MoKα","","","0.0283","","","","0.0647","","","","","","0.814","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030090","6.3049","0.0004","7.6994","0.0005","14.4602","0.0008","102.437","0.003","91.851","0.003","90.341","0.003","685.07","0.07","147","2","147","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","1","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0303","0.0301","","","0.0775","0.0776","","","","","","1.072","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030132","8.0316","0.0008","9.266","0.0009","9.7678","0.0007","110.117","0.001","113.018","0.002","94.668","0.001","608.32","0.1","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","1","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.0764","0.0563","","","0.1329","0.1443","","","","","","1.013","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030400","7.2974","0.0014","8.3147","0.0015","9.969","0.0019","75.788","0.003","83.489","0.003","89.109","0.004","582.53","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","1","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.132","0.0816","","","0.1779","0.1987","","","","","","1.132","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030593","8.1853","0.0003","8.4902","0.0002","10.5848","0.0003","94.6382","0.0017","108.843","0.0017","91.7329","0.0018","692.65","0.04","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","1","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","1.54187","CuKα","","0.0616","0.0551","","","0.1406","0.1633","","","","","","1.151","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030618","6.912","0.003","6.658","0.003","6.315","0.003","109.06","0.03","132.91","0.02","38.62","0.02","118.69","0.17","","","293","","","","","","","","","4","P 1","P 1","1","","","","- Co Cu O7 P2 -","- Co Cu O7 P2 -","- Co Cu O7 P2 -","1","1","","Handizi, A.; Boukhari, A.; Holt, E. M.; Aride, J.; Belaiche, M.; Drillon, M.","(Cu,M)2P2O7; M = Mn, Co : synthesis, magnetism and solid state structures of Cu0.92Mn1.08P2O7 and CuCoP2O7","European Journal of Solid State and Inorganic Chemistry","1994","31","","123","135","","","x-ray","0.71073","MoKα","","","0.065","","","0.087","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030756","9.3644","0.0019","11.804","0.003","11.909","0.003","65.119","0.011","89.81","0.012","89.633","0.011","1194.2","0.5","","","100.02","","","","","","","","","5","P 1","P 1","1","","","","- C12 H15 Br N2 O -","- C12 H15 Br N2 O -","- C48 H60 Br4 N8 O4 -","4","4","","Fandrick, Keith R.; Mulder, Jason A.; Patel, Nitinchandra D.; Gao, Joe; Konrad, Michael; Archer, Elizabeth; Buono, Frederic G.; Duran, Adil; Schmid, Rolf; Daeubler, Juergen; Desrosiers, Jean-Nicolas; Zeng, Xingzhong; Rodriguez, Sonia; Ma, Shengli; Qu, Bo; Li, Zhibin; Fandrick, Daniel R.; Grinberg, Nelu; Lee, Heewon; Bosanac, Todd; Takahashi, Hidenori; Chen, Zhidong; Bartolozzi, Alessandra; Nemoto, Peter; Busacca, Carl A.; Song, Jinhua J.; Yee, Nathan K.; Mahaney, Paige E.; Senanayake, Chris H.","Development of an Asymmetric Synthesis of a Chiral Quaternary FLAP Inhibitor.","The Journal of organic chemistry","2015","80","3","1651","1660","10.1021/jo502550h","","","1.54178","CuKα","","0.0549","0.051","","","0.1356","0.1477","","","","","","1.0878","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030839","7.857","0.0016","11.876","0.003","13.396","0.003","70.095","0.004","77.111","0.004","79.851","0.004","1138.8","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si -","- C19 H33 N O2 S Si -","- C38 H66 N2 O4 S2 Si2 -","2","2","","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","","0.1223","0.0437","","","0.0791","0.092","","","","","","0.744","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030928","10.5288","0.0003","11.2256","0.0003","14.5218","0.0003","87.88","0.002","68.77","0.002","76.367","0.002","1552.59","0.07","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O7 -","- C15 H20 O7 -","- C60 H80 O28 -","4","4","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0862","0.0777","","","0.2228","0.2377","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030995","7.3111","0.0004","8.9012","0.0005","14.1362","0.0008","72.375","0.005","78.013","0.005","74.229","0.005","835.84","0.09","120.3","0.5","120.3","0.5","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 F2 N2 O2 -","- C18 H20 F2 N2 O2 -","- C36 H40 F4 N4 O4 -","2","2","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0633","0.0522","","","0.1394","0.1508","","","","","","1.011","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4031059","5.283","0.0012","10.535","0.003","18.544","0.004","84.255","0.018","85.865","0.017","89.552","0.019","1024.2","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1572","0.0813","","","0.1928","0.2601","","","","","","1.009","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031127","6.9162","0.0002","7.8388","0.0002","9.2345","0.0003","103.149","0.001","106.046","0.002","99.634","0.002","454.13","0.02","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H19 N O Se -","- C22 H19 N O Se -","- C22 H19 N O Se -","1","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.6889","","","0.0565","0.0558","","","0.1389","0.1394","","","","","","1.08","","","","has coordinates","140136","2020-10-21","18:00:00",""
"4031151","8.181","0.002","9.952","0.003","10.163","0.003","79.296","0.006","68.813","0.005","65.825","0.005","703.2","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","none","(+)-(2R,3R)-1,1,4,4-tetraphenylbutane-1,2,3,4-tetraol/ 4-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C35 H38 O5 -","1","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0791","0.0515","","","0.1269","0.1338","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031240","5.78","","6.02","","8.08","","114.8","","96.2","","95","","250.98","","","","","","","","","","","","","3","P 1","P 1","1","","Re2 Cl5 O4","","- Cl5 O4 Re2 -","- Cl5 O4 Re2 -","- Cl5 O4 Re2 -","1","1","","Edwards, A.J.","Crystal structure of the adduct of rhenium tetrachloride oxide and rhenium chloride trioxide","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1976","1976","","2419","2421","","","","","","","","","","","","","","","","","","","","","","has coordinates","148839","2020-10-21","18:00:00",""
"4031308","6.874","0.001","7.057","0.001","21.567","0.004","95.44","0.03","96.09","0.03","110.21","0.03","966.5","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H24 B F4 N3 O -","- C19 H24 B F4 N3 O -","- C38 H48 B2 F8 N6 O2 -","2","2","","Rafiński, Zbigniew; Kozakiewicz, Anna","Enantioselective Synthesis of Chromanones Bearing Quaternary Substituted Stereocenters Catalyzed by (1R)-Camphor-Derived N-Heterocyclic Carbenes.","The Journal of organic chemistry","2015","80","15","7468","7476","10.1021/acs.joc.5b01029","","","0.71073","MoKα","","0.1616","0.0942","","","0.2468","0.304","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031326","8.1742","0.0011","9.0503","0.0012","15.703","0.002","85.672","0.006","75.381","0.006","74.812","0.006","1084.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 F2 N2 O2 -","- C27 H26 F2 N2 O2 -","- C54 H52 F4 N4 O4 -","2","2","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.0662","0.0648","","","0.1744","0.1764","","","","","","1.1","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031436","9.069","","9.218","","9.029","","89.51","","90.17","","92.47","","754.075","","","","","","","","","","","","","6","P 1","P 1","1","","K5 (Mo (C N)7) (H2 O)","","- C7 H2 K5 Mo N7 O -","- C3.5 K2.5 Mo0.5 N3.5 O0.5 -","- C7 K5 Mo N7 O -","2","2","","Drew, M.G.B.; Mitchell, P.C.H.; Pygall, C.F.","Preparation and properties of the heptacyanomolybdate(II) anion and the crystal and molecular structures of its sodium and potassium salts","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1977","1977","","1071","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031832","5.7152","0.0003","15.4683","0.0007","22.7213","0.001","81.5151","0.0014","89.504","0.0016","89.5445","0.0014","1986.56","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","","(S)-3-((2R,5S)-5-(4-fluorophenyl)-2-((S)-((4-iodophenyl)amino) (4-((trimethylsilyl)oxy) phenyl)methyl)-5-((trimethylsilyl)oxy) pentanoyl)-4-phenyloxazolidin-2-one","","- C39 H46 F I N2 O5 Si2 -","- C39 H46 F I N2 O5 Si2 -","- C78 H92 F2 I2 N4 O10 Si4 -","2","2","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0571","0.0564","","","0.1474","0.1481","","","","","","1.047","","","","has coordinates,has disorder","175697","2020-10-21","18:00:00",""
"4031866","9.38","0.004","9.756","0.004","10.518","0.005","94.969","0.006","90.378","0.006","103.743","0.006","931.1","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 Br N2 O6 -","- C17 H19 Br N2 O6 -","- C34 H38 Br2 N4 O12 -","2","2","","Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors.","Beilstein journal of organic chemistry","2016","12","","295","300","10.3762/bjoc.12.31","","","0.71073","MoKα","","0.1035","0.0742","","","0.187","0.2053","","","","","","1.004","","","","has coordinates","181462","2020-10-21","18:00:00",""
"4031893","8.5086","0.0006","10.4268","0.0008","13.873","0.001","103.623","0.009","99.874","0.008","90.545","0.009","1176.83","0.16","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O4 -","- C22 H23 Cl N2 O4 -","- C44 H46 Cl2 N4 O8 -","2","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.1181","0.0792","","","0.1985","0.2282","","","","","","1.004","","","","has coordinates","177229","2020-10-21","18:00:00",""
"4031986","9.78588","0.00012","14.13707","0.00016","20.6977","0.0003","105.617","0.0011","96.468","0.0011","104.361","0.001","2621.66","0.06","120","1","120","1","","","","","","","","8","P 1","P 1","1","","","","- C37 H40 B Cl2 F4 N P Rh -","- C36.6667 H39.3333 B Cl1.33333 F4 N P Rh -","- C110 H118 B3 Cl4 F12 N3 P3 Rh3 -","3","3","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0542","0.0447","","","0.09","0.0959","","","","","","1.028","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031991","5.8864","0.0003","9.254","0.0006","12.6617","0.0007","104.549","0.002","95.9357","0.0014","105.233","0.0015","633.46","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C26 H41 N O4 S -","1","1","","Trost, Barry M.; Ryan, Michael C.; Rao, Meera","Chiral cyclopentadienylruthenium sulfoxide catalysts for asymmetric redox bicycloisomerization.","Beilstein journal of organic chemistry","2016","12","","1136","1152","10.3762/bjoc.12.110","","","1.54184","CuKα","","0.025","0.0249","","","0.0627","0.0628","","","","","","1.079","","","","has coordinates","186266","2020-10-21","18:00:00",""
"4031998","5.5207","0.0006","12.938","0.0012","17.1775","0.0013","94.761","0.007","93.119","0.007","97.721","0.008","1208.9","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C52 H74 N2 O10 -","2","2","","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","","0.1027","0.0729","","","0.1612","0.1889","","","","","","1.03","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4032069","15.3495","0.0004","15.391","0.0005","17.9894","0.0006","113.338","0.0009","99.5367","0.0011","102.721","0.001","3651.5","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C106.5 H214.5 N4.5 O91.5 -","- C106.5 H137.5 N4.5 O91.5 -","- C106.5 H137.5 N4.5 O91.5 -","1","1","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.098","","","","0.2779","","","","","","1.046","","","","has coordinates","188629","2020-10-21","18:00:00",""
"4032166","9.8605","0.0016","10.2577","0.0016","15.126","0.002","101.114","0.004","104.653","0.004","97.215","0.004","1427.7","0.4","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C38 H32 N2 O2 -","- C38 H32 N2 O2 -","- C76 H64 N4 O4 -","2","2","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.1467","0.0602","","","0.107","0.1296","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032198","7.34","0.0015","15.44","0.003","16.48","0.003","114.57","0.03","97.75","0.03","94.55","0.03","1663.9","0.7","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C25.66667 H34.66667 O5.66667 -","- C25.6667 H34.6667 O5.66667 -","- C77 H104 O17 -","3","3","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0672","0.0648","","","0.1746","0.1779","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032214","6.0519","0.0003","7.661","0.0004","11.9361","0.0006","88.489","0.004","87.47","0.004","86.454","0.004","551.65","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","1","1","","Ručil, Tomáš; Trávníček, Zdeněk; Cankař, Petr","Ring-Opening Reactions of the N-4-Nosyl Hough-Richardson Aziridine with Nitrogen Nucleophiles.","The Journal of organic chemistry","2017","82","1","723","730","10.1021/acs.joc.6b01942","","","0.71073","MoKα","","0.0571","0.0462","","","0.0996","0.1047","","","","","","1.053","","","","has coordinates","193216","2020-10-21","18:00:00",""
"4032334","6.2961","0.0001","8.1075","0.0001","10.7109","0.0002","82.602","0.001","83.304","0.001","81.408","0.001","533.459","0.015","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C23 H34 O4 -","1","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0513","0.0458","","","0.1304","0.1435","","","","","","1.133","","","","has coordinates","193311","2020-10-21","18:00:00",""
"4032535","9.8883","0.0007","16.9433","0.0011","17.7267","0.0012","89.88","0.004","76.345","0.004","89.937","0.004","2886","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C136 H136 N24 O8 -","8","8","","Mondal, Susmita; Samanta, Sadhanendu; Jana, Sourav; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Oxidative C-H Amination of Imidazopyridines at Ambient Temperature.","The Journal of organic chemistry","2017","82","8","4504","4510","10.1021/acs.joc.7b00564","","","0.71073","MoKα","","0.1948","0.091","","","0.2099","0.2778","","","","","","1.068","","","","has coordinates","197331","2020-10-21","18:00:00",""
"4032578","6.5282","0.0004","14.5999","0.0011","14.9551","0.001","111.076","0.007","99.361","0.005","92.468","0.005","1304.31","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N5 O5 -","- C27 H29 N5 O5 -","- C54 H58 N10 O10 -","2","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0528","0.0403","","","0.0898","0.0963","","","","","","1.031","","","","has coordinates","197743","2020-10-21","18:00:00",""
"4032729","7.2895","0.0006","9.234","0.0008","11.6572","0.001","100.23","0.0011","102.319","0.0011","96.3662","0.0012","745.32","0.11","90","2","90","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","1","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.0379","0.0374","","","0.1012","0.1018","","","","","","1.08","","","","has coordinates","200309","2020-10-21","18:00:00",""
"4032867","9.1853","0.0012","18.882","0.002","13.3012","0.0017","89.973","0.002","92.232","0.002","90.086","0.002","2305.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","(S)-3'-bromo-2'H,3H-spiro[furan-2,1'-naphthalene]-2',5(4H)-dione","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C104 H72 Br8 O24 -","8","8","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0365","0.0285","","","0.0622","0.0645","","","","","","0.912","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032974","6.923","0.0012","9.2252","0.0016","13.527","0.002","85.237","0.007","84.232","0.007","76.806","0.007","835.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C32 H52 O4 Si2 -","2","2","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0593","0.0472","","","0.1167","0.1254","","","","","","0.998","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4033004","9.405","0.015","9.59","0.02","9.93","0.013","76.25","0.16","85.06","0.12","86.46","0.16","866","3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0845","0.0514","","","0.0545","0.1773","","","","","","0.983","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033014","11.4675","0.0003","17.311","0.0004","23.6038","0.0006","82.207","0.0018","89.031","0.002","82.4628","0.0019","4602.3","0.2","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 Br N3 O5 -","- C34 H34 Br N3 O5 -","- C204 H204 Br6 N18 O30 -","6","6","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54184","CuKα","","0.0688","0.0654","","","0.1671","0.1719","","","","","","1.026","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033030","4.9377","0.0008","11.3507","0.0019","18.673","0.003","72.387","0.003","88.787","0.003","85.279","0.004","994.1","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","","","- C23 H17 I N2 O3 -","- C23 H17 I N2 O3 -","- C46 H34 I2 N4 O6 -","2","2","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0982","0.0407","","","0.0456","0.0569","","","","","","0.922","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033035","7.10434","0.00019","10.684","0.0003","11.6324","0.0004","82.814","0.003","75.572","0.002","76.583","0.002","829.62","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","1","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.54184","CuKα","","0.037","0.0356","","0.0959","0.094","0.0956","","","","","","0.9992","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033074","8.6788","0.0006","9.5182","0.0006","21.2735","0.0015","79.873","0.006","88.99","0.006","70.685","0.006","1631","0.2","129.95","0.1","129.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N3 O6 S -","- C36 H37 N3 O6 S -","- C72 H74 N6 O12 S2 -","2","2","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","x-ray","1.54184","CuKα","","0.083","0.0641","","","0.1667","0.204","","","","","","1.012","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4033129","9.3081","0.0005","10.4852","0.0005","11.7136","0.0006","73.869","0.002","81.276","0.002","68.067","0.002","1017.25","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","2","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0442","0.0434","","","0.1219","0.1229","","","","","","1.025","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033146","7.9748","0.0009","14.1924","0.0017","17.903","0.002","89.1869","0.0016","83.5067","0.0016","74.6777","0.0016","1941.5","0.4","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","4","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.1227","0.0741","","","0.1758","0.2089","","","","","","1.018","","","","has coordinates,has disorder","203196","2020-10-21","18:00:00",""
"4033242","6.5977","0.0007","6.954","0.0007","13.0578","0.0013","82.254","0.008","84.013","0.008","63.46","0.01","530.42","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","1","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0474","0.0429","","","0.1","0.1022","","","","","","1.075","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033284","11.4358","0.0001","13.4434","0.0002","14.1728","0.0001","92.76","0.001","105.302","0.001","112.175","0.001","1919.36","0.04","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C36 H37 Cl6 N2 O P Pd -","- C36 H37 Cl6 N2 O P Pd -","- C72 H74 Cl12 N4 O2 P2 Pd2 -","2","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.052","0.0513","","","0.138","0.1394","","","","","","1.037","","","","has coordinates,has disorder","204368","2020-10-21","18:00:00",""
"4033408","6.807","0.0006","12.0906","0.001","13.8845","0.0011","67.8","0.002","83.447","0.003","73.949","0.003","1016.69","0.15","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","4","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0681","0.0572","","","0.1478","0.1542","","","","","","1.078","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033485","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033486","11.3679","0.0013","11.7476","0.0011","13.3386","0.0013","78.54","0.008","75.237","0.009","76.104","0.009","1654.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H35 Br N O3 -","- C44 H35 Br N O3 -","- C88 H70 Br2 N2 O6 -","2","2","","Aida, Yukimasa; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Unsymmetrical α,ω-Diynes with Acenaphthylene.","The Journal of organic chemistry","2018","83","5","2617","2626","10.1021/acs.joc.7b03042","","x-ray","0.71073","MoKα","","0.1812","0.0873","","","0.1905","0.2422","","","","","","0.994","","","","has coordinates","227521","2020-10-21","18:00:00",""
"4033495","7.3734","0.0004","12.7312","0.0006","14.7746","0.0007","80.569","0.004","80.605","0.004","84.52","0.004","1346.45","0.12","295","5","295","5","","","","","","","","5","P 1","P 1","1","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.0878","0.0772","","","0.2233","0.2437","","","","","","1.057","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033731","7.4745","0.0003","9.6998","0.0004","20.0096","0.001","80.839","0.004","85.378","0.004","67.764","0.004","1325.38","0.11","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 Cl N O6 Si -","- C26 H32 Cl N O6 Si -","- C52 H64 Cl2 N2 O12 Si2 -","2","2","","Chowdhury, Raghunath; Dubey, Akhil K.; Ghosh, Sunil K.","Ag(I)-Fesulphos-Catalyzed Enantioselective Synthesis of 3-Silylproline Derivatives.","The Journal of organic chemistry","2019","84","5","2404","2414","10.1021/acs.joc.8b02412","","x-ray","0.71073","MoKα","","0.1364","0.0947","","","0.2179","0.2732","","","","","","1.098","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033842","8.4944","0.0009","8.9647","0.001","32.731","0.004","88.303","0.004","83.461","0.004","79.038","0.004","2431","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 O2 P -","- C31 H27 O2 P -","- C93 H81 O6 P3 -","3","3","","Jin, Shengnan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","The Silver-Promoted Phosphonation/Alkynylation of Alkene Proceeding with Radical 1,2-Alkynyl Migration.","The Journal of organic chemistry","2019","84","17","11177","11185","10.1021/acs.joc.9b01088","","","1.34139","GaKα","","0.1561","0.1098","","","0.2596","0.2904","","","","","","1.236","","","","has coordinates","222418","2020-10-21","18:00:00",""
"4033858","8.0294","0.0004","12.7216","0.0006","16.3848","0.001","108.971","0.005","90.502","0.004","107.466","0.004","1499.25","0.15","106.6","","106.6","","","","","","","","","3","P 1","P 1","1","","","","- C33 H49 O4 -","- C33 H49 O4 -","- C66 H98 O8 -","2","2","","Liu, Tingting; Wu, Haibo; Jiang, Hongyun; Zhang, Lan; Zhang, Yanning; Mao, Liangang","Echingridimer A, an Oxaspiro Dimeric Sesquiterpenoid with a 6/6/5/6/6 Fused Ring System from <i>Echinops grijsii</i> and Aphicidal Activity Evaluation.","The Journal of organic chemistry","2019","84","17","10757","10763","10.1021/acs.joc.9b01212","","","1.5418","CuKα","","0.0712","0.0566","","","0.1349","0.1482","","","","","","1.023","","","","has coordinates,has disorder","222435","2020-10-21","18:00:00",""
"4033914","5.0292","0.0008","7.7369","0.0011","13.795","0.002","101.537","0.006","91.971","0.009","107.637","0.008","498.6","0.13","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.1109","0.0947","","0.2574","0.2388","0.2574","","","","","","0.9891","","","","has coordinates","222490","2020-10-21","18:00:00",""
"4033917","5.026","0.0003","7.73","0.0004","13.7908","0.0008","101.669","0.003","91.92","0.004","107.523","0.004","497.8","0.05","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0626","0.0537","","0.1507","0.1403","0.1507","","","","","","0.986","","","","has coordinates","222493","2020-10-21","18:00:00",""
"4034057","7.5537","0.0007","12.8817","0.0011","13.5102","0.0013","107.124","0.008","94.728","0.008","90.025","0.007","1251.6","0.2","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C27 H22 Cl N3 O8 -","- C27 H22 Cl N3 O8 -","- C54 H44 Cl2 N6 O16 -","2","2","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","x-ray","0.71073","MoKα","","0.0745","0.0465","","","0.1021","0.1093","","","","","","0.913","","","","has coordinates","222617","2020-10-21","18:00:00",""
"4034243","6.6499","0.0014","7.472","0.002","43.076","0.01","93.23","0.04","91.35","0.03","116.106","0.017","1916.2","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","2","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0975","0.0963","","","0.2566","0.2574","","","","","","1.108","","","","has coordinates","222786","2020-10-21","18:00:00",""
"4034317","12.549","0.003","13.394","0.003","20.848","0.005","77.96","0.02","82.87","0.02","64.67","0.03","3095.2","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H90 Cl8 N12 O5 -","- C50 H84 Cl8.001 N12 O5 -","- C100 H168 Cl16.002 N24 O10 -","2","2","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.081","0.0668","","","0.1714","0.1904","","","","","","1.025","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034318","14.186","0.005","15.161","0.005","15.444","0.006","97.64","0.04","117.19","0.05","91.85","0.03","2912","2","80","2","80","2","","","","","","","","5","P 1","P 1","1","","","","- C82.5 H153 Cl12 N20 O10 -","- C82.5 H140 Cl12 N20 O9.9999 -","- C82.5 H140 Cl12 N20 O9.9999 -","1","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1074","0.0881","","","0.2522","0.2747","","","","","","1.113","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034459","11.1195","0.0006","18.96","0.0009","19.2929","0.001","117.806","0.003","90.313","0.003","91.209","0.003","3596.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H18 F3 N3 O -","- C23 H18 F3 N3 O -","- C161 H126 F21 N21 O7 -","7","7","","Kriegelstein, Michal; Profous, David; Lyčka, Antonín; Trávníček, Zdeněk; Přibylka, Adam; Volná, Tereza; Benická, Sandra; Cankař, Petr","Axially Chiral Trifluoromethylbenzimidazolylbenzoic Acid: A Chiral Derivatizing Agent for α-Chiral Primary Amines and Secondary Alcohols To Determine the Absolute Configuration.","The Journal of organic chemistry","2019","84","18","11911","11921","10.1021/acs.joc.9b01770","","","0.71073","MoKα","","0.1416","0.0651","","","0.0952","0.111","","","","","","0.951","","","","has coordinates,has disorder","222977","2020-10-21","18:00:00",""
"4034749","7.5699","0.0015","8.2998","0.0015","11.079","0.002","71.037","0.006","72.442","0.006","68.706","0.006","599.9","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","1","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0894","0.0717","","","0.1739","0.19","","","","","","1.044","","","","has coordinates","226272","2020-10-21","18:00:00",""
"4034768","5.68","0.003","8.711","0.004","15.304","0.007","74.081","0.015","83.934","0.018","83.108","0.019","720.8","0.6","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","1","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.1783","0.0676","","","0.1081","0.1399","","","","","","0.889","","","","has coordinates,has disorder","226291","2020-10-21","18:00:00",""
"4034785","10.6785","0.0004","10.7888","0.0007","12.4332","0.0008","98.711","0.006","101.123","0.004","92.413","0.004","1385.53","0.14","150","","150","","","","","","","","from U of Wollongong","4","P 1","P 1","1","","","","- C29 H39 N O8 -","- C29 H39 N O8 -","- C58 H78 N2 O16 -","2","2","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0637","0.0539","","0.134","0.1269","0.134","","","","","","0.9928","","","","has coordinates","226308","2020-10-21","18:00:00",""
"4034788","12.1681","0.0002","13.7635","0.0004","19.2104","0.0006","100.542","0.002","90.699","0.002","90.063","0.002","3162.72","0.15","150","","150","","","","","","","","from U of Wollongong","5","P 1","P 1","1","","","","- C28 H39 N O10 S2 -","- C28 H39 N O10 S2 -","- C112 H156 N4 O40 S8 -","4","4","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0676","0.0603","","0.1597","0.1518","0.1597","","","","","","0.9806","","","","has coordinates","226311","2020-10-21","18:00:00",""
"4034961","9.5027","0.0007","10.5139","0.0007","11.4874","0.0008","74.736","0.006","66.148","0.006","81.699","0.006","1011.72","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","1","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.0482","0.048","","","0.1357","0.1359","","","","","","1.079","","","","has coordinates","226470","2020-10-21","18:00:00",""
"4035104","5.9682","0.0002","7.005","0.0002","13.9039","0.0005","95.289","0.001","93.695","0.001","91.165","0.001","577.4","0.03","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F N2 O6 -","- C10 H13 F N2 O6 -","- C20 H26 F2 N4 O12 -","2","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","","0.0282","0.0279","","","0.0726","0.0728","","","","","","1.047","","","","has coordinates","226592","2020-10-21","18:00:00",""
"4035179","5.3633","0.0004","9.1569","0.0012","9.3749","0.001","115.199","0.013","93.554","0.008","98.472","0.009","408.03","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C22 H16 N2 O -","1","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.1148","0.1037","","","0.2701","0.2971","","","","","","1.273","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035465","7.3866","0.0003","17.1147","0.0006","17.5278","0.0005","79.631","0.003","83.64","0.003","89.884","0.003","2165.89","0.13","99.99","0.13","99.99","0.13","","","","","","","","2","P 1","P 1","1","","","","- C35.75 H20 -","- C35.75 H20 -","- C143 H80 -","4","4","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0843","0.073","","","0.1884","0.1981","","","","","","1.045","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035470","9.8978","0.0006","10.2382","0.0007","14.8927","0.001","70.864","0.001","81.893","0.001","62.465","0.001","1264.17","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H28 N2 O3 -","- C33 H27 N2 O3 -","- C66 H54 N4 O6 -","2","2","","Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Diastereoselective Construction of Indole-Bridged Chroman Spirooxindoles through a TfOH-Catalyzed Michael Addition-Inspired Cascade Reaction.","The Journal of organic chemistry","2018","83","7","3679","3687","10.1021/acs.joc.8b00035","","","0.71073","MoKα","","0.062","0.0549","","","0.1411","0.1474","","","","","","1.02","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4035543","7.01728","0.00018","8.2752","0.0002","10.7566","0.0003","93.959","0.002","106.285","0.002","95.686","0.002","593.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","1","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.071","0.0711","","","","","","1.038","","","","has coordinates","226991","2020-10-21","18:00:00",""
"4035560","5.4859","0.0002","7.6978","0.0002","16.1908","0.0005","78.393","0.002","80.255","0.002","87.923","0.002","660.08","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","DF2 - 17ALE001","","","- C13 H18 Cl N O4 -","- C13 H18 Cl N O4 -","- C26 H36 Cl2 N2 O8 -","2","2","","Rocha, Juliana F.; Freitas, David S.; Noro, Jennifer; Silva Teixeira, Carla S.; Sousa, Cristina E. A.; Alves, Maria J.; Cerqueira, Nuno M. F. S. A.","Total Stereoselective Michael Addition of N- and S- Nucleophiles to a d-Erythrosyl 1,5-Lactone Derivative. Experimental and Theoretical Studies Devoted to the Synthesis of 2,6-Dideoxy-4-functionalized-d- ribono-hexono-1,4-lactone.","The Journal of organic chemistry","2018","83","15","8011","8019","10.1021/acs.joc.8b00769","","","0.71073","MoKα","","0.0582","0.0434","","","0.0903","0.0969","","","","","","1.036","","","","has coordinates","227008","2020-10-21","18:00:00",""
"4035595","10.2778","0.0004","10.3228","0.0005","12.3658","0.0006","112.387","0.005","105.71","0.004","92.527","0.004","1151.68","0.11","100","0.6","100","0.6","","","","","","","Cleistocalyx operculatus","3","P 1","P 1","1","operculatol A","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","2","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0815","0.0748","","","0.1996","0.2073","","","","","","1.071","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035696","16.2255","0.0005","16.4626","0.0005","17.2473","0.0005","115.368","0.002","105.172","0.002","95.372","0.002","3904.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C84 H69 O15 P3 -","- C84 H69 O15 P3 -","- C168 H138 O30 P6 -","2","2","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.1363","0.1032","","","0.2197","0.2423","","","","","","1.075","","","","has coordinates,has disorder","227144","2020-10-21","18:00:00",""
"4035735","6.578","0.0013","7.3496","0.0015","19.89","0.004","96.85","0.03","97.83","0.03","99.42","0.03","929.9","0.4","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C44 H46 Cl2 N4 O4 -","2","2","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1432","0.0621","","","0.1313","0.1688","","","","","","0.932","","","","has coordinates","227183","2020-10-21","18:00:00",""
"4035778","10.578","0.004","10.734","0.004","12.077","0.005","90.378","0.007","104.548","0.007","109.881","0.007","1241.8","0.8","298","2","298.15","","","","","","","","","5","P 1","P 1","1","","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C54 H60 N4 O8 S2 -","2","2","","Mason, Jeremy D.; Weinreb, Steven M.","Synthesis of Alstoscholarisines A-E, Monoterpene Indole Alkaloids with Modulating Effects on Neural Stem Cells.","The Journal of organic chemistry","2018","83","11","5877","5896","10.1021/acs.joc.8b00889","","","0.71073","MoKα","","0.1023","0.0744","","","0.1872","0.209","","","","","","1.03","","","","has coordinates","227219","2020-10-21","18:00:00",""
"4035810","11.966","0.004","13.517","0.005","19.836","0.005","95.32","0.03","104.25","0.03","106.6","0.03","2933.8","1.8","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H52 Br N8 Na O2 -","- C40 H48 Br0.999 N8 Na O1.91633 -","- C120 H144 Br2.997 N24 Na3 O5.749 -","3","3","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1837","0.095","","","0.2062","0.2642","","","","","","1.002","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4036044","6.8272","0.0003","8.0949","0.0003","42.0284","0.0015","90.029","0.002","89.977","0.002","90.011","0.002","2322.72","0.16","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","4","","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","","0.1127","0.0664","","","0.1056","0.1181","","","","","","1.263","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036068","10.4928","0.0003","10.9595","0.0003","18.3029","0.0006","73.12","0.002","78.857","0.002","64.829","0.002","1816.9","0.1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C72 H68 I4 N8 O20 -","4","4","","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","","0.0733","0.0493","","","0.0951","0.107","","","","","","1.062","","","","has coordinates","227919","2020-10-21","18:00:00",""
"4036161","9.1085","0.0012","11.2556","0.0014","18.194","0.002","77.224","0.002","80.557","0.002","87.831","0.002","1794.4","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H39 Br N2 O8 S -","- C39 H39 Br N2 O8 S -","- C78 H78 Br2 N4 O16 S2 -","2","2","","Liu, Teng; Liu, Weiwei; Li, Xiaonian; Peng, Fangzhi; Shao, Zhihui","Catalytic Asymmetric Construction of Vicinal Tetrasubstituted Stereocenters by the Mannich Reaction of Linear α-Substituted Monothiomalonates with Isatin N-Boc Ketimines.","The Journal of organic chemistry","2015","80","10","4950","4956","10.1021/acs.joc.5b00302","","","0.71073","MoKα","","0.0528","0.0437","","","0.1093","0.1127","","","","","","0.992","","","","has coordinates","234333","2020-10-21","18:00:00",""
"4036211","6.098","0.004","7.378","0.005","9.239","0.005","106.18","0.02","100.896","0.019","96.42","0.02","386","0.4","200","2","200","2","","","","","","","","3","P 1","P 1","1","acetal, structure 15","(3aS,3bR,7aS,8aR)-7a-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydro -3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-3b-ol","","- C14 H22 O8 -","- C14 H22 O8 -","- C14 H22 O8 -","1","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0848","0.0607","","","0.1485","0.1668","","","","","","0.971","","","","has coordinates","234396","2020-10-21","18:00:00",""
"4036254","5.8748","0.0007","6.6516","0.0008","7.3831","0.0009","67.621","0.002","84.526","0.002","66.767","0.002","244.64","0.05","293","1","293","1","","","","","","","","3","P 1","P 1","1","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C11 H14 O3 -","1","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0386","0.0386","","","0.0941","0.0941","","","","","","1.115","","","","has coordinates","234460","2020-10-21","18:00:00",""
"4036279","8.8195","0.0007","16.5259","0.0013","20.684","0.002","88.992","0.004","89.512","0.004","82.169","0.004","2986.1","0.4","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C32 H32 N3 O4.5 S3 -","- C32 H32 N2 O4.5 S3 -","- C128 H128 N8 O18 S12 -","4","4","","Morikawa, Takahiro; Harada, Shinji; Nishida, Atsushi","Chiral Holmium Complex-Catalyzed Synthesis of Hydrocarbazole from Siloxyvinylindole and Its Application to the Enantioselective Total Synthesis of (-)-Minovincine.","The Journal of organic chemistry","2015","80","17","8859","8867","10.1021/acs.joc.5b01393","","","1.54187","CuKα","","","0.1577","","","","0.4305","","","","","","1.082","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036319","10.7549","0.0013","14.0615","0.0017","14.0682","0.0017","90.109","0.002","90.496","0.002","101.438","0.002","2085.2","0.4","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-Leu-Aib-(DLeu-Leu-Aib)2-OMe.butanone","","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","1","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0422","0.0391","","","0.1006","0.1026","","","","","","1.031","","","","has coordinates","234539","2020-10-21","18:00:00",""
"4036377","8.32646","0.00006","10.47455","0.00007","13.76824","0.00009","110.587","0.0006","96.9805","0.0005","91.5538","0.0005","1112.64","0.014","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","2","","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","","","1.54184","CuKα","","0.0317","0.0308","","","0.082","0.0831","","","","","","1.035","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036380","9.86627","0.00006","10.19647","0.00008","13.1369","0.0001","112.441","0.0008","90.0964","0.0006","91.9641","0.0006","1220.63","0.017","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H31 N3 O2 -","- C29 H31 N3 O2 -","- C58 H62 N6 O4 -","2","2","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0267","0.0257","","","0.0638","0.0647","","","","","","1.023","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036436","6.6821","0.0003","9.196","0.0004","15.8865","0.0006","96.246","0.004","100.362","0.003","110.893","0.003","881.11","0.07","191","2","191","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 N2 O6 -","- C21 H16 N2 O6 -","- C42 H32 N4 O12 -","2","2","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.1188","0.0611","","","0.1109","0.1342","","","","","","1.383","","","","has coordinates","234692","2020-10-21","18:00:00",""
"4036452","8.366","0.002","9.56","0.002","11.005","0.002","113.946","0.009","107.506","0.011","92.316","0.013","753.7","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","2","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.0457","0.039","","","0.07","0.0735","","","","","","1.087","","","","has coordinates","234711","2020-10-21","18:00:00",""
"4036547","9.7985","0.0003","10.1396","0.0004","19.4403","0.0007","89.593","0.001","83.894","0.001","68.851","0.001","1790.12","0.11","150","2","150","2","","","","","","","synthesized by the authors","6","P 1","P 1","1","","","","- C38 H36 F6 N3 O6.5 S2 -","- C38 H36 F6 N3 O6.5 S2 -","- C76 H72 F12 N6 O13 S4 -","2","2","","Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Helquat Dyes: Helicene-like Push-Pull Systems with Large Second-Order Nonlinear Optical Responses.","The Journal of organic chemistry","2016","81","5","1912","1920","10.1021/acs.joc.5b02692","","","0.71073","MoKα","","0.0813","0.0712","","","0.1899","0.2011","","","","","","1.013","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4036605","8.1158","0.0003","8.6369","0.0003","9.1898","0.0004","95.53","0.003","104.286","0.003","108.675","0.003","580.48","0.04","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","1","1","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0435","0.0302","","","0.0561","0.0597","","","","","","0.861","","","","has coordinates","234946","2020-10-21","18:00:00",""
"4036606","8.444","","11.055","","13.733","","98.62","","107.12","","93","","1204.98","","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H25 Br O4 -","- C29 H25 Br O4 -","- C58 H50 Br2 O8 -","2","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0487","0.0392","","","0.0904","0.1143","","","","","","1.076","","","","has coordinates","234947","2020-10-21","18:00:00",""
"4036771","6.0963","0.0003","8.7014","0.0008","8.705","0.0008","66.516","0.009","73.36","0.006","87.831","0.006","404.25","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H25 Br O4 -","- C13 H25 Br O4 -","- C13 H25 Br O4 -","1","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.0619","0.0486","","","0.1152","0.122","","","","","","0.982","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036878","11.3435","0.0003","15.0588","0.0005","20.0689","0.0006","105.66","0.001","100.493","0.001","99.598","0.001","3160.2","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","1","1","","Lichosyt, Dawid; Wasiłek, Sylwia; Jurczak, Janusz","Exploring the Chiral Recognition of Carboxylates by C2-Symmetric Receptors Bearing Glucosamine Pendant Arms.","The Journal of organic chemistry","2016","81","17","7342","7348","10.1021/acs.joc.6b00763","","","1.54178","CuKα","","0.0432","0.0417","","","0.1099","0.1114","","","","","","1.041","","","","has coordinates,has disorder","235357","2020-10-21","18:00:00",""
"4037067","5.8199","0.0004","8.0405","0.0005","18.4354","0.0011","87.091","0.002","88.121","0.002","89.793","0.002","861.11","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C23 H19 N O -","- C23 H19 N O -","- C46 H38 N2 O2 -","2","2","","Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan","Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.","The Journal of organic chemistry","2016","81","17","7692","7699","10.1021/acs.joc.6b01406","","","0.71073","MoKα","","0.0476","0.0431","","","0.1009","0.1036","","","","","","1.031","","","","has coordinates,has disorder","235625","2020-10-21","18:00:00",""
"4037103","9.2797","0.0018","10.762","0.002","16.496","0.004","99.202","0.012","96.89","0.012","90.327","0.011","1614","0.6","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H16 B N O2 -","- C20 H16 B N O2 -","- C80 H64 B4 N4 O8 -","4","4","","Chapin, Brette M.; Metola, Pedro; Lynch, Vincent M.; Stanton, John F.; James, Tony D.; Anslyn, Eric V.","Structural and Thermodynamic Analysis of a Three-Component Assembly Forming ortho-Iminophenylboronate Esters.","The Journal of organic chemistry","2016","81","18","8319","8330","10.1021/acs.joc.6b01495","","","0.71073","MoKα","","0.208","0.1035","","","0.2246","0.2813","","","","","","1.006","","","","has coordinates","235670","2020-10-21","18:00:00",""
"4037105","7.1669","0.0004","7.6027","0.0004","13.8637","0.0008","94.992","0.004","92.691","0.004","93.826","0.004","749.8","0.07","372","2","372","2","","","","","","","","3","P 1","P 1","1","citreoviranol","(2'S,4'R6'S)-spiro[6,8-dimethoxyisochroman-1-one-3,6'-2'-methyloxan-4'-ol]","","- C15 H18 O6 -","- C7.5 H9 O3.5 -","- C30 H36 O14 -","4","4","","Quach, Rachelle; Furkert, Daniel P.; Brimble, Margaret A.","Total Synthesis of the Resorcyclic Acid Lactone Spiroketal Citreoviranol.","The Journal of organic chemistry","2016","81","18","8343","8350","10.1021/acs.joc.6b01503","","","0.71073","MoKα","","0.0614","0.0504","","","0.1203","0.1279","","","","","","1.024","","","","has coordinates","235672","2020-10-21","18:00:00",""
"4037138","9.3977","0.0016","14.478","0.003","17.17","0.003","68.007","0.005","79.865","0.005","75.921","0.005","2091.7","0.7","122","2","122","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H44 Br2 S8 -","- C42 H44 Br2 S8 -","- C84 H88 Br4 S16 -","2","2","","Mansø, Mads; Koole, Max; Mulder, Maarten; Olavarria-Contreras, Ignacio J; Andersen, Cecilie Lindholm; Jevric, Martyn; Broman, Søren Lindbæk; Kadziola, Anders; Hammerich, Ole; van der Zant, Herre S. J.; Nielsen, Mogens Brøndsted","Synthesis and Single-Molecule Conductances of Neutral and Cationic Indenofluorene-Extended Tetrathiafulvalenes: Kondo Effect Molecules.","The Journal of organic chemistry","2016","81","18","8406","8414","10.1021/acs.joc.6b01579","","","0.71073","MoKα","","0.2136","0.1124","","","0.2498","0.3145","","","","","","1.026","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4037359","8.838","0.003","9.919","0.005","9.942","0.005","96.391","0.015","105.394","0.018","98.99","0.014","819.2","0.7","298","2","298","2","","","","","","","","3","P 1","P 1","1","","4-benzhydryl-2H-chromen-2-one","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1098","0.0627","","","0.1427","0.1596","","","","","","0.971","","","","has coordinates","236007","2020-10-21","18:00:00",""
"4037376","9.3736","0.0019","9.757","0.002","11.672","0.002","73.534","0.01","89.493","0.01","67.705","0.01","941.3","0.3","298","2","298","2","","","","","","","","3","P 1","P 1","1","","(3R*,4S*)-4-(2-hydroxyphenyl)-3-methyl-5,5-diphenyldihydrofuran-2(3H)-one","","- C23 H20 O3 -","- C23 H20 O3.5 -","- C46 H40 O7 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1235","0.0642","","","0.151","0.1655","","","","","","1.018","","","","has coordinates","236038","2020-10-21","18:00:00",""
"4037484","6.017","0.002","9.564","0.003","30.731","0.011","90.012","0.011","90.214","0.011","90.193","0.012","1768.4","1","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H21 O -","- C24 H20 O -","- C96 H80 O4 -","4","4","","Dey, Amrita; Ali, Md Ashif; Jana, Sourav; Hajra, Alakananda","Copper-Catalyzed Regioselective Synthesis of Multisubstituted Furans by Coupling between Ketones and Aromatic Olefins.","The Journal of organic chemistry","2017","82","9","4812","4818","10.1021/acs.joc.7b00476","","","0.71073","MoKα","","0.1239","0.0758","","","0.1897","0.2324","","","","","","0.969","","","","has coordinates","236230","2020-10-21","18:00:00",""
"4037507","11.425","","14.928","","15.76","","107.82","","111.14","","90.04","","2367.99","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H16 F N3 -","- C20 H16 F N3 -","- C120 H96 F6 N18 -","6","6","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0801","0.0344","","","0.1062","0.1322","","","","","","0.634","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037550","7.9305","0.0016","8.026","0.0016","10.9367","0.0014","73.997","0.014","75.084","0.014","62.95","0.02","588.8","0.2","120","0.1","120","0.1","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C28 H29 N O5 -","1","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.0639","0.0573","","","0.1398","0.1529","","","","","","0.9614","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037561","7.9644","0.0001","10.5027","0.0001","12.5674","0.0002","91.463","0.001","90.407","0.001","100.694","0.001","1032.56","0.02","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H29 O6.5 -","- C25 H29 O6.5 -","- C50 H58 O13 -","2","2","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","x-ray","1.54184","CuKα","","0.0312","0.0311","","","0.082","0.082","","","","","","1.062","","","","has coordinates","236342","2020-10-21","18:00:00",""
"4037603","8.078","0.0001","11.2993","0.0001","15.5039","0.0002","102.689","0.001","98.153","0.001","90.893","0.001","1365.01","0.03","110","2","110","2","","","","","","","","5","P 1","P 1","1","","'5,5'-Dibromo-3,3'-diiodo-[4,4']bipyridinyl'","","- C10 H4 Br2 I2 N2 -","- C10 H4 Br2 I2 N2 -","- C40 H16 Br8 I8 N8 -","4","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0361","0.0317","","","0.0685","0.0707","","","","","","1.063","","","","has coordinates","243442","2020-10-21","18:00:00",""
"4037802","9.795","","9.845","","10.769","","88.79","","63.77","","60.84","","788.074","","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H53 N3 O5 -","- C28 H53 N3 O5 -","- C28 H53 N3 O5 -","1","1","","Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude","Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02916","","","0.71073","MoKα","","0.0841","0.057","","","0.1396","0.1569","","","","","","1.035","","","","has coordinates","246785","2020-10-21","18:00:00",""
"4038058","8.068","0.0003","8.1779","0.0003","9.016","0.0004","74.336","0.003","74.502","0.004","87.802","0.003","551.58","0.04","140","0.8","140","1","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","1","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0352","0.0329","","","0.0814","0.0823","","","","","","1.126","","","","has coordinates","249371","2020-10-21","18:00:00",""
"4038302","6.3532","0.0008","11.1522","0.0014","11.6114","0.0015","71.654","0.004","88.192","0.004","88.92","0.004","780.45","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","1","1","","Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00396","","","1.54184","CuKα","","0.0788","0.0435","","","0.1074","0.1162","","","","","","1.051","","","","has coordinates,has disorder","251182","2020-10-21","18:00:00",""
"4038495","13.4848","0.0008","13.8175","0.0009","14.4535","0.001","74.959","0.006","88.351","0.005","65.812","0.006","2363.3","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","2","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.092","0.0595","","","0.121","0.1445","","","","","","1.065","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038539","11.8281","0.0003","11.8983","0.0003","19.0954","0.0005","72.31","0.002","72.182","0.002","61.141","0.002","2201.08","0.11","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H24 F3 N2 O5 P -","- C17 H24 F3 N2 O4.992 P -","- C68 H96 F12 N8 O19.968 P4 -","4","4","","Fernández-Pérez, Héctor; Lenartowicz, Paweł; Carreras Vinent, Lucas; Grabulosa, Arnald; Kafarski, Paweł; Vidal-Ferran, Anton","Access to alpha-aminophosphonic acid derivatives and phosphonopeptides by [Rh(P-OP)]-catalyzed stereoselective hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00914","","","0.71075","MoKα","","0.0733","0.0466","","","0.1216","0.1366","","","","","","1.014","","","","has coordinates,has disorder","253582","2020-10-21","18:00:00",""
"4038623","12.9213","0.0003","16.017","0.0003","20.8553","0.0004","104.882","0.001","91.17","0.001","90.245","0.001","4170.37","0.15","170","2","170","","","","","","","","","5","P 1","P 1","1","","","","- C49 H36 F N3 O3 -","- C49 H36 F N3 O3 -","- C196 H144 F4 N12 O12 -","4","4","","Chen, Ke-Wei; Wang, Zhao-Shan; Wu, Ping; Yan, Xin-Yu; Zhang, Shu; Zhang, Yu-Chen; Shi, Feng","Catalytic Asymmetric Synthesis of 3,3'-Bisindoles Bearing Single Axial Chirality.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01528","","","1.34139","GaKα","","0.0736","0.0508","","","0.1147","0.1286","","","","","","1.033","","","","has coordinates","254629","2020-10-21","18:00:00",""
"4038657","9.5884","0.0006","14.8739","0.0009","15.0818","0.0009","90.941","0.003","94.795","0.004","102.677","0.003","2089.8","0.2","100","","100","","","","","","","","","3","P 1","P 1","1","","(1R,2S,4R)-4-(methoxycarbonyl)-2-methylcyclohexane-1-carboxylic acid","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","8","","Cornelius, Lyndon A. M.; Li, Jianqing; Smith, Daniel; Krishnananthan, Subramaniam; Yip, Shiuhang; Wu, Dauh-Rurng; Pawluczyk, Joseph; Aulakh, Darpandeep; Sarjeant, Amy A.; Kempson, James; Tino, Joseph A.; Mathur, Arvind; Dhar, T. G. Murali; Cherney, Robert J.","Synthesis of 1-(tert-Butyl) 4-Methyl (1R,2S,4R)-2-Methylcyclohexane-1,4-Dicarboxylate from Hagemann's tert-Butyl Ester for an Improved Synthesis of BMS-986251.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01169","","x-ray","1.54178","CuKα","","0.085","0.079","","","0.2003","0.2059","","","","","","1.046","","","","has coordinates,has disorder","255187","2020-10-21","18:00:00",""
"4038671","5.0456","0.0004","10.0717","0.0008","20.3776","0.0017","96.509","0.004","95.256","0.004","90.126","0.004","1024.46","0.14","100","","99.98","","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 N O2 P -","- C26 H22 N O2 P -","- C52 H44 N2 O4 P2 -","2","2","","Winters, Karen R.; Montchamp, Jean-Luc","Evaluation and Development of Methodologies for the Synthesis of Thiophosphinic Acids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01151","","","0.71073","MoKα","","0.0522","0.0517","","","0.1388","0.139","","","","","","1.194","","","","has coordinates,has disorder","255240","2020-10-21","18:00:00",""
"4038743","7.7507","0.0004","12.3048","0.0005","13.5177","0.0008","104.972","0.005","95.439","0.004","94.459","0.004","1232.8","0.11","179.95","0.1","179.95","0.1","","","","","","","","8","P 1","P 1","1","","","","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","1","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.5418","CuKα","","0.0694","0.0651","","","0.1789","0.1829","","","","","","1.053","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038877","6.3659","0.0002","17.1828","0.0006","20.1654","0.0008","66.231","0.002","89.24","0.002","89.986","0.002","2018.46","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C93 H65 Cl3 O7 -","- C93 H63 Cl3 O7 -","- C93 H63 Cl3 O7 -","1","1","","Zhang, Xiang-Zhi; Li, Bao Qiong; Qiu, Zong-Wang; Ma, Aijun; Peng, Jin-Bao; Du, Ji-Yuan; Feng, Na; Xu, Xue-Tao; Pan, Han-Peng","Synthesis of Naphthopyrans <i>via</i> Formal (3+3)-Annulation of Propargylic (Aza)-<i>para</i>-Quinone Methides with Naphthols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01791","","","1.54178","CuKα","","0.0697","0.0619","","","0.1647","0.173","","","","","","1.019","","","","has coordinates,has disorder","258237","2020-10-21","18:00:00",""
"4038917","8.6099","0.0004","13.0696","0.0005","15.3288","0.0006","75.546","0.002","85.851","0.002","73.985","0.002","1605.48","0.12","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C72 H96 N8 O4 -","2","2","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","1.54178","CuKα","","0.0422","0.0393","","","0.1045","0.1066","","","","","","1.073","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4060174","10.1917","0.0001","10.5343","0.0001","14.0443","0.0002","82.582","0.001","80.678","0.001","79.056","0.001","1453.31","0.03","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C27 H29 Cl4 Fe P Pt S -","- C27 H29 Cl4 Fe P Pt S -","- C54 H58 Cl8 Fe2 P2 Pt2 S2 -","2","2","","","","Organometallics","2005","","","","","10.1021/om0493762","","","1.54178","CuKα","","0.0376","0.0375","","","0.0952","0.0953","","","","","","1.048","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060248","10.504","0.002","10.977","0.001","13.331","0.0006","70.408","0.002","88.465","0.002","84.656","0.002","1441.8","0.2","173.2","","173","1","","","","","","","","8","P 1","P 1","1","","","","- C27 H70 Cl2 I6 O8 P6 Si2 V -","- C27 H68 Cl2 I6 O8 P6 Si2 V -","- C27 H68 Cl2 I6 O8 P6 Si2 V -","1","1","","","","Organometallics","2004","","","","","10.1021/om034227p","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060251","9.409","0.0008","11.6613","0.001","17.6423","0.0015","93.013","0.001","104.847","0.001","96.918","0.001","1850.4","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 O3 P3 Pd -","- C40 H39 Cl2 O3 P3 Pd -","- C80 H78 Cl4 O6 P6 Pd2 -","2","2","","","","Organometallics","2004","","","","","10.1021/om0342309","","","0.71073","MoKα","","0.0283","0.0272","","","0.0653","0.0659","","","","","","1.03","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060736","11.956","0.001","12.809","0.001","13.422","0.001","63.11","0.01","78.27","0.01","68.29","0.01","1701.5","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C88 H64 O2 P4 Pd -","- C88 H64 O2 P4 Pd -","- C88 H64 O2 P4 Pd -","1","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061395","9.9829","0.0007","10.3129","0.0008","10.5462","0.0008","105.068","0.002","94.188","0.002","113.742","0.002","940.1","0.12","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H62 N2 Si Ti -","- C38 H62 N2 Si Ti -","- C38 H62 N2 Si Ti -","1","1","","","","Organometallics","2005","","","","","10.1021/om049318g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061572","7.5069","0.0007","8.4348","0.0008","11.3734","0.001","78.136","0.007","83.429","0.007","82.062","0.008","695.26","0.11","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","1","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061575","10.9358","0.0009","12.2064","0.0011","24.537","0.002","93.484","0.011","100.258","0.011","112.899","0.009","2938.2","0.5","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C124 H136 O8 P8 S8 -","- C124 H136 O8 P8 S8 -","- C124 H136 O8 P8 S8 -","1","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061577","8.937","0.002","10.911","0.002","15.546","0.004","82.55","0.03","73.47","0.03","67.38","0.03","1341.1","0.6","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H32 P2 S2 -","- C29 H32 P2 S2 -","- C58 H64 P4 S4 -","2","2","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061710","9.9885","0.0009","10.8157","0.0013","13.5361","0.001","99.16","0.01","99","0.007","117.294","0.009","1238.3","0.2","140","2","","","","","","","","","","7","P 1","P 1","1","","","","- C55 H50 B Cl5 O2 P2 Ru -","- C55 H50 B Cl5 O2 P2 Ru -","- C55 H50 B Cl5 O2 P2 Ru -","1","1","","Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario","","Organometallics","2005","","","","","10.1021/om050568m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061960","7.674","0.0015","13.879","0.003","17.695","0.004","67.67","0.03","83.66","0.03","89.81","0.03","1731.1","0.6","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H27 Co O2 -","- C20 H27 Co O2 -","- C80 H108 Co4 O8 -","4","4","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062315","10.7478","0.0013","14.1893","0.0017","21.333","0.003","94.121","0.002","97.187","0.002","90.329","0.002","3219.1","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","Ti-sufonamide alcoholate","","","- C119 H148 N4 O20 S4 Ti4 -","- C119 H148 N4 O20 S4 Ti4 -","- C119 H148 N4 O20 S4 Ti4 -","1","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062322","11.4458","0.0009","12.5768","0.001","16.2774","0.0013","99.443","0.002","90.387","0.002","94.486","0.002","2303.9","0.3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C45.5 H49 Cl5 N4 Pd -","- C45.5 H49 Cl5 N4 Pd -","- C91 H98 Cl10 N8 Pd2 -","2","2","","Bonnet, Ludovic G.; Douthwaite, Richard E.; Hodgson, Richard","Synthesis of Constrained-Geometry Chiral Di-N-Heterocyclic Carbene Ligands and Their Silver(I) and Palladium(II) Complexes","Organometallics","2003","22","22","4384","4386","10.1021/om030527v","","","","","","","","","","","","","","","","","","","","","has coordinates","192090","2020-10-21","18:00:00",""
"4062379","9.1756","0.001","10.9562","0.0012","17.497","0.002","102.601","0.002","97.437","0.002","95.017","0.002","1690","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H40 B Cl N6 Ni -","- C36 H40 B Cl N6 Ni -","- C72 H80 B2 Cl2 N12 Ni2 -","2","2","","Kunrath, Fábio A.; de Souza, Roberto F.; Casagrande, Jr., Osvaldo L.; Brooks, Neil R.; Young, Victor G.","Highly Selective Nickel Ethylene Oligomerization Catalysts Based on Sterically Hindered Tris(pyrazolyl)borate Ligands","Organometallics","2003","22","23","4739","4743","10.1021/om034035u","","","","","","","","","","","","","","","","","","","","","has coordinates","192124","2020-10-21","18:00:00",""
"4062411","7.628","0.002","9.686","0.003","10.081","0.003","58.36","0.02","72.66","0.02","64.84","0.02","571.2","0.3","123.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C22 H27 Co O6 Ti -","- C22 H27 Co O6 Ti -","- C22 H27 Co O6 Ti -","1","1","","Niibayashi, Shota; Mitsui, Kaoru; Matsubara, Kouki; Nagashima, Hideo","Novel Titanium-Cobalt Complexes Formed by Reductive Cleavage of a Co-Co Bond in Co~2~(CO)~8~ by Titanocene tert-Butoxides: Synthesis, Characterization, and Mechanistic Aspects for Metal-Metal Bond Recombination","Organometallics","2003","22","24","4885","4892","10.1021/om0340701","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062871","11.0878","0.0004","12.5179","0.0004","15.058","0.0004","105.593","0.002","94.045","0.002","105.99","0.002","1911.4","0.1","183.2","","183.2","","","","","","","","","5","P 1","P 1","1","","","","- C44 H46 O P2 Pd -","- C44 H46 O P2 Pd -","- C88 H92 O2 P4 Pd2 -","2","2","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063058","11.787","0.003","12.124","0.003","17.936","0.006","73.2","0.02","81.52","0.02","58.98","0.01","2102.8","1","293.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C80 H110 N4 P2 Pt2 Si4 -","- C80 H110 N4 P2 Pt2 Si4 -","- C80 H110 N4 P2 Pt2 Si4 -","1","1","","Tetsuyuki Yamada; Makoto Tanabe; Kohtaro Osakada; Yong-Joo Kim","Pd-Pt Heterobimetallic Complexes with Bridging Si-Ligands. Structure and Reaction with Isonitrile to Afford a Platinacyclopentane Containing Si, N, and C Atoms","Organometallics","2004","","","","","10.1021/om049858d","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063063","12.893","0.003","13.297","0.003","15.071","0.003","68.66","0.03","69.74","0.03","79.88","0.03","2254.4","0.8","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C71 H131 N3 O15 Si6 Zn8 -","- C71 H131 N3 O15 Si6 Zn8 -","- C71 H131 N3 O15 Si6 Zn8 -","1","1","","","","Organometallics","2004","","","","","10.1021/om049863h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063109","9.2494","0.0016","11.382","0.002","13.529","0.002","96.572","0.004","108.198","0.004","90.485","0.004","1342.8","0.4","101","2","101","2","","","","","","","","9","P 1","P 1","1","[PdCl(PCP)]PF6","","","- C52.37 H46 Cl3.75 F6 Fe2 N2 O0 P3 Pd -","- C52.379 H46 Cl3.752 F6 Fe2 N2 P3 Pd -","- C52.379 H46 Cl3.752 F6 Fe2 N2 P3 Pd -","1","1","","","","Organometallics","2004","","","","","10.1021/om049893k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063334","11.5165","0.0015","11.7891","0.0015","16.411","0.002","108.081","0.002","101.365","0.002","90.766","0.002","2069.9","0.5","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C45 H60 O4 P2 -","- C45 H60 O4 P2 -","- C90 H120 O8 P4 -","2","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","","0.0695","0.0535","","","0.137","0.1514","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063516","5.8964","0.0004","8.301","0.0005","11.9991","0.0008","72.139","0.002","81.825","0.002","86.683","0.002","553.26","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C26 H24 N4 O6 -","2","2","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia","Insertion of Isocyanides, Isothiocyanates, and Carbon Monoxide into the Pd‒C Bond of Cyclopalladated Complexes Containing Primary Arylalkylamines of Biological and Pharmaceutical Significance. Synthesis of Lactams and Cyclic Amidinium Salts Related to the Isoquinoline, Benzo[g]isoquinoline, and β-Carboline Nuclei","Organometallics","2009","28","2","448","464","10.1021/om800951k","","","0.71073","MoKα","","0.0339","0.0331","","","0.0831","0.0838","","","","","","1.068","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063600","21.887","0.004","22.196","0.004","22.358","0.005","101.6","0.03","104.57","0.03","118.8","0.03","8521","6","150","1","150","1","","","","","","","","6","P 1","P 1","1","","","","- C100 H95 B2 Fe N5 P2 -","- C100 H95 B2 Fe N5 P2 -","- C400 H380 B8 Fe4 N20 P8 -","4","4","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.1473","0.0725","","","0.1589","0.1872","","","","","","0.966","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063604","10.1341","0.0002","13.8219","0.0003","16.4191","0.0003","102.299","0.0011","101.147","0.0012","96.45","0.0011","2176.23","0.08","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C38 H32 B2 F20 Fe N5 P -","- C38 H32 B2 F20 Fe N5 P -","- C76 H64 B4 F40 Fe2 N10 P2 -","2","2","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.116","0.0677","","","0.1585","0.1884","","","","","","1.038","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063741","8.468","","8.927","","19.089","","102.77","","96.82","","95.65","","1385.73","","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H18 I4 N4 Te -","- C24 H18 I4 N4 Te -","- C48 H36 I8 N8 Te2 -","2","2","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0607","0.0585","","","0.1739","0.1747","","","","","","1.177","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4064008","9.9179","0.0004","11.8461","0.0006","18.4656","0.001","76.381","0.003","81.483","0.003","65.363","0.002","1913.49","0.17","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C39 H46.5 Cl N3.5 O P Pd Pt -","- C39 H46.5 Cl N3.5 O P Pd Pt -","- C78 H93 Cl2 N7 O2 P2 Pd2 Pt2 -","2","2","","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","","0.0423","0.0347","","","0.0738","0.1012","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064015","9.9213","0.0003","11.839","0.0004","18.3636","0.0006","76.468","0.002","81.334","0.002","65.288","0.001","1901.61","0.11","103","2","103","2","","","","","","","","7","P 1","P 1","1","","","","- C38.84 H46.34 Cl1.31 N3.34 O P Pd2 -","- C38.8465 H46.3465 Cl1.307 N3.3465 O P Pd2 -","- C77.693 H92.693 Cl2.614 N6.693 O2 P2 Pd4 -","2","2","","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","","0.0364","0.0328","","","0.0729","0.0868","","","","","","1.077","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064558","11.7568","0.0003","13.7436","0.0004","13.8327","0.0003","60.37","0.002","66.843","0.001","87.213","0.001","1756.32","0.09","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H42 Au N2 O2 P -","- C38 H42 Au N2 O2 P -","- C76 H84 Au2 N4 O4 P2 -","2","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.026","0.023","","","0.0549","0.0564","","","","","","1.019","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064559","10.8549","0.0008","12.8777","0.0013","13.7661","0.0008","102.595","0.002","102.201","0.003","104.249","0.002","1747.3","0.2","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C75 H86 Au2 N4 O7 P2 -","- C75 H86 Au2 N4 O7 P2 -","- C75 H86 Au2 N4 O7 P2 -","1","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0246","0.0211","","","0.0487","0.0499","","","","","","1.033","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064560","11.1773","0.0002","11.1809","0.0005","14.7447","0.0004","102.303","0.002","102.379","0.002","97.749","0.001","1726.76","0.1","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C78 H80 Au2 N4 O4 P2 -","- C78 H80 Au2 N4 O4 P2 -","- C78 H80 Au2 N4 O4 P2 -","1","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.023","0.0207","","","0.0453","0.0465","","","","","","1.038","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064877","9.333","0.003","10.019","0.004","11.415","0.005","88.191","0.017","68.322","0.015","71.573","0.014","936.6","0.6","173","2","173","2","","","","","","","synthesis as described","7","P 1","P 1","1","","","","- C36 H38 Cl4 Fe I N P2 -","- C36 H38 Cl4 Fe I N P2 -","- C36 H38 Cl4 Fe I N P2 -","1","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.0647","0.0494","","","0.0991","0.1111","","","","","","1.079","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064878","9.543","0.004","10.217","0.005","11.418","0.005","88.546","0.018","68.285","0.015","71.508","0.016","975.5","0.8","173","2","173","2","","","","","","","synthesis as described","7","P 1","P 1","1","","","","- C36 H38 Cl4 F6 Fe N P3 -","- C36 H38 Cl4 F6 Fe N P3 -","- C36 H38 Cl4 F6 Fe N P3 -","1","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.0892","0.0607","","","0.1386","0.1574","","","","","","1.066","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4065041","11.596","0.005","12.077","0.005","12.949","0.006","78.644","0.007","87.963","0.007","77.167","0.006","1733.5","1.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C24 H35 B10 Cl P Rh S2 -","- C24 H35 B10 Cl P Rh S2 -","- C48 H70 B20 Cl2 P2 Rh2 S4 -","2","2","","Yao, Zi-Jian; Jin, Guo-Xin","Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes","Organometallics","2011","30","20","5365","","10.1021/om200528q","","","0.71073","MoKα","","0.0794","0.0619","","","0.1862","0.209","","","","","","1.033","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065090","9.9046","0.0003","10.663","0.0003","11.8693","0.0004","114.932","0.002","97.005","0.002","98.421","0.002","1100.65","0.06","100","2","100","2","","","","","","","","9","P 1","P 1","1","1460 RASC448/449 (R~Ru~)-[RuCl(p-cymene)((4R,1'R,R~Fc~)-19)]PF~6~.CHCl~3~","(R~Ru~)-Chloro[(4R,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl-κN)- 1-[1-(diphenylphosphino)ethyl-κP]-ferrocene-N,P](ν6-p-cymene)ruthenium hexafluorophosphate chlroform solvate","","- C44 H45 Cl4 F6 Fe N O P2 Ru -","- C44 H45 Cl4 F6 Fe N O P2 Ru -","- C44 H45 Cl4 F6 Fe N O P2 Ru -","1","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0195","0.0193","","","0.0497","0.05","","","","","","1.052","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065127","12.2973","0.0011","13.4782","0.0012","18.4298","0.0016","80.834","0.002","82.089","0.002","64.8","0.002","2720.3","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H52 Cl5 F12 Fe2 P4 Pd -","- C50 H52 Cl5 F12 Fe2 P4 Pd -","- C100 H104 Cl10 F24 Fe4 P8 Pd2 -","2","2","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0602","0.0549","","","0.1402","0.1451","","","","","","1.044","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065607","10.3714","0.0003","11.8544","0.0002","13.054","0.0003","89.198","0.001","84.462","0.002","68.804","0.001","1489.01","0.06","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H31 I N2 O5 P2 Pd -","- C28 H31 I N2 O5 P2 Pd -","- C56 H62 I2 N4 O10 P4 Pd2 -","2","2","","Li, Jie; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Chiral Amino Alcohol Derived Bis-phosphoramidite Pincer Palladium Complexes and Their Applications in Asymmetric Allylation of Aldimines","Organometallics","2010","29","6","1379","","10.1021/om100021p","","","0.71073","MoKα","","0.0319","0.0298","","","0.0768","0.0786","","","","","","1.102","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065745","9.4908","0.0013","10.492","0.0015","12.481","0.0018","81.668","0.003","80.035","0.003","79.356","0.002","1194.8","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H24 Co2 O7 -","- C24 H24 Co2 O7 -","- C48 H48 Co4 O14 -","2","2","","Moore, Angela; Ortin, Yannick; Müller-Bunz, Helge; McGlinchey, Michael J.","Alkynyl-Dicobalt Hexacarbonyl Complexes of Menthyl Cations: Isolobal Substitution of [Co(CO)3]+by Fe(CO)3as a Structural Model†","Organometallics","2010","29","21","4882","","10.1021/om100107x","","","0.71073","MoKα","","0.0429","0.0363","","","0.0824","0.0854","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065747","9.4743","0.0012","11.2694","0.0014","17.422","0.002","80.733","0.002","88.724","0.002","77.161","0.002","1789.8","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C41 H38 Co Fe O5 P -","- C41 H38 Co Fe O5 P -","- C82 H76 Co2 Fe2 O10 P2 -","2","2","","Moore, Angela; Ortin, Yannick; Müller-Bunz, Helge; McGlinchey, Michael J.","Alkynyl-Dicobalt Hexacarbonyl Complexes of Menthyl Cations: Isolobal Substitution of [Co(CO)3]+by Fe(CO)3as a Structural Model†","Organometallics","2010","29","21","4882","","10.1021/om100107x","","","0.71073","MoKα","","0.0522","0.0454","","","0.1076","0.1115","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065748","11.3946","0.0009","11.8811","0.0009","20.021","0.0016","76.722","0.002","76.484","0.002","64.331","0.001","2349.7","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C53 H60 Co2 O5 P2 -","- C53 H60 Co2 O5 P2 -","- C106 H120 Co4 O10 P4 -","2","2","","Moore, Angela; Ortin, Yannick; Müller-Bunz, Helge; McGlinchey, Michael J.","Alkynyl-Dicobalt Hexacarbonyl Complexes of Menthyl Cations: Isolobal Substitution of [Co(CO)3]+by Fe(CO)3as a Structural Model†","Organometallics","2010","29","21","4882","","10.1021/om100107x","","","0.71073","MoKα","","0.0482","0.0412","","","0.0994","0.1034","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065749","9.6326","0.001","13.7749","0.0014","13.8541","0.0014","92.937","0.002","95.426","0.002","95.175","0.002","1819.3","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C41 H38 Co Fe O5 P -","- C41 H38 Co Fe O5 P -","- C82 H76 Co2 Fe2 O10 P2 -","2","2","","Moore, Angela; Ortin, Yannick; Müller-Bunz, Helge; McGlinchey, Michael J.","Alkynyl-Dicobalt Hexacarbonyl Complexes of Menthyl Cations: Isolobal Substitution of [Co(CO)3]+by Fe(CO)3as a Structural Model†","Organometallics","2010","29","21","4882","","10.1021/om100107x","","","0.71073","MoKα","","0.0436","0.0382","","","0.0872","0.0897","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065783","12.329","0.001","12.667","0.001","13.149","0.001","98.762","0.001","104.806","0.001","114.341","0.001","1729.7","0.2","150","0.1","150","0.1","","","","","","","","7","P 1","P 1","1","","","","- C74 H94 I N4 Nd O3 P4 -","- C62 H70 I N4 Nd P4 -","- C62 H70 I N4 Nd P4 -","1","1","","Buchard, Antoine; Platel, Rachel H.; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal; Williams, Charlotte K.","Iminophosphorane Neodymium(III) Complexes As Efficient Initiators for Lactide Polymerization","Organometallics","2010","29","13","2892","","10.1021/om1001233","","","0.71069","MoKα","","0.0372","0.0315","","","0.0716","0.0732","","","","","","0.987","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065980","10.274","0.002","13.535","0.003","14.458","0.003","97.62","0.03","97.78","0.03","108.03","0.03","1861.4","0.8","291","2","291","2","","","","","","","","7","P 1","P 1","1","","","","- C40 H37 Cl N2 O4 P2 Pd -","- C40 H37 Cl N2 O4 P2 Pd -","- C80 H74 Cl2 N4 O8 P4 Pd2 -","2","2","","Niu, Jun-Long; Chen, Qing-Tao; Hao, Xin-Qi; Zhao, Qing-Xiang; Gong, Jun-Fang; Song, Mao-Ping","Diphenylprolinol-Derived Symmetrical and Unsymmetrical Chiral Pincer Palladium(II) and Nickel(II) Complexes: Synthesis via One-Pot Phosphorylation/Metalation Reaction and C−H Activation","Organometallics","2010","29","9","2148","","10.1021/om100234q","","","0.71073","MoKα","","0.0447","0.0395","","","0.1002","0.1035","","","","","","1.077","","","","has coordinates,has disorder","178552","2020-10-21","18:00:00",""
"4065984","10.615","0.002","13.686","0.003","14.57","0.003","100.1","0.03","95.9","0.03","110.97","0.03","1914","0.9","291","2","291","2","","","","","","","","7","P 1","P 1","1","","","","- C40 H37 I N2 O4 P2 Pd -","- C40 H37 I N2 O4 P2 Pd -","- C80 H74 I2 N4 O8 P4 Pd2 -","2","2","","Niu, Jun-Long; Chen, Qing-Tao; Hao, Xin-Qi; Zhao, Qing-Xiang; Gong, Jun-Fang; Song, Mao-Ping","Diphenylprolinol-Derived Symmetrical and Unsymmetrical Chiral Pincer Palladium(II) and Nickel(II) Complexes: Synthesis via One-Pot Phosphorylation/Metalation Reaction and C−H Activation","Organometallics","2010","29","9","2148","","10.1021/om100234q","","","0.71073","MoKα","","0.0461","0.0363","","","0.0839","0.088","","","","","","1.051","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4066051","8.632","0.0008","10.6944","0.001","11.7448","0.001","115.484","0.001","97.621","0.002","95.126","0.002","957","0.15","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C33 H28 Cl3 F10 Ir P Sb -","- C33 H28 Cl3 F10 Ir P Sb -","- C33 H28 Cl3 F10 Ir P Sb -","1","1","","Stanek, Kyrill; Czarniecki, Barbara; Aardoom, Raphael; Rüegger, Heinz; Togni, Antonio","Remote C−F−Metal Interactions in Late-Transition-Metal Complexes","Organometallics","2010","29","11","2540","","10.1021/om100261e","","","0.71073","MoKα","","0.0272","0.0264","","","0.0536","0.0539","","","","","","1.029","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066069","9.1125","0.0014","11.1306","0.0016","17.644","0.003","102.973","0.005","96.97","0.006","94.44","0.006","1720.9","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H44 B Cu N6 -","- C38 H44 B Cu N6 -","- C76 H88 B2 Cu2 N12 -","2","2","","Martín, Carmen; Muñoz-Molina, José María; Locati, Abel; Alvarez, Eleuterio; Maseras, Feliu; Belderrain, Tomás R.; Pérez, Pedro J.","Copper(I)−Olefin Complexes: The Effect of the Trispyrazolylborate Ancillary Ligand in Structure and Reactivity","Organometallics","2010","29","16","3481","","10.1021/om1002705","","","0.71073","MoKα","","0.0833","0.0473","","","0.0918","0.1052","","","","","","1.002","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066488","10.542","0.005","11.854","0.006","11.89","0.006","118.746","0.01","90.464","0.011","108.076","0.01","1216.2","1.1","173","2","173","2","","","","","","","","6","P 1","P 1","1","Silylamido Alkoxy Tantalum","Silylamido Alkoxy Tantalum","","- C36 H84 N2 O6 Si2 Ta2 -","- C35.74 H83.59 N2 O6 Si2 Ta2 -","- C35.74 H83.59 N2 O6 Si2 Ta2 -","1","1","","Chen, Shu-Jian; Xue, Zi-Ling","Preparation of the Alkyl Complex Ta(═NSiMe3)[N(SiMe3)2](CH2But)2. Preferential Oxygen Insertion in Its Reaction with O2and a Ligand Exchange in the Alkoxide Ta(═NSiMe3)[N(SiMe3)2](OCH2But)2†","Organometallics","2010","29","21","5579","","10.1021/om100493s","","","0.71073","MoKα","","0.0224","0.0213","","","0.0649","0.0676","","","","","","0.587","","","","has coordinates,has disorder","178556","2020-10-21","18:00:00",""
"4066973","9.0254","0.0002","9.6542","0.0003","9.77","0.0003","106.356","0.003","90.187","0.002","110.903","0.003","757.95","0.04","90","2","90","2","","","","","","","","8","P 1","P 1","1","[Pd(C3H5)((Sp,Sc)-3]BF4,","Compound 4","","- C34 H33 B F4 Fe N P Pd -","- C34 H33 B F4 Fe N P Pd -","- C34 H33 B F4 Fe N P Pd -","1","1","","Thiesen, Kurtis E.; Maitra, Kalyani; Olmstead, Marilyn M.; Attar, Saeed","Synthesis and Characterization of New, Chiral P−N Ligands and Their Use in Asymmetric Allylic Alkylation","Organometallics","2010","29","23","6334","","10.1021/om100741m","","","0.71073","MoKα","","0.0272","0.0269","","","0.0685","0.0687","","","","","","1.037","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4067013","9.836","0.003","12.541","0.004","14.576","0.004","94.197","0.013","109.132","0.013","101.572","0.015","1645.3","0.9","93.1","","93.1","","","","","","","","","8","P 1","P 1","1","","","","- C30 H46 Cl2 F3 N O3 Ru2 S2 -","- C30 H46 Cl2 F3 N O3 Ru2 S2 -","- C60 H92 Cl4 F6 N2 O6 Ru4 S4 -","2","2","","Ito, Masato; Watanabe, Akira; Shibata, Yuji; Ikariya, Takao","Synthesis and Reactivity of 2-Aminoethanethiolato-Bridged Dinuclear Ru(hmb) Complexes (hmb = η6-hexamethylbenzene): Mechanistic Consideration on Transfer Hydrogenation with Bifunctional [RuCl2(hmb)]2/2-Aminoethanethiol Catalyst System","Organometallics","2010","29","20","4584","","10.1021/om100773a","","","0.7107","MoKα","","","0.0604","","","","0.1618","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067032","12.303","0.0006","12.5477","0.0006","18.1296","0.0009","94.386","0.002","105.047","0.002","118.562","0.002","2306.5","0.2","123","","123","","","","","","","","","7","P 1","P 1","1","","","","- C86 H124 Ir2 N4 Na2 O18 P4 -","- C86 H123.75 Ir2 N4 Na2 O18 P4 -","- C86 H123.75 Ir2 N4 Na2 O18 P4 -","1","1","","Liniger, Marc; Gschwend, Björn; Neuburger, Markus; Schaffner, Silvia; Pfaltz, Andreas","Unprecedented Reactivity of Iridium(I) Secondary Phosphine Oxide Complexes: Formation of P-Coordinated Phosphinate Complexes by P−Aryl Bond Cleavage","Organometallics","2010","29","22","5953","","10.1021/om1007874","","","0.71073","MoKα","","0.0285","0.0213","","0.0258","0.0202","0.0196","","","","","","1.0858","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4067310","9.4239","0.0004","10.8958","0.0004","24.5978","0.001","87.085","0.002","85.843","0.002","65.339","0.002","2288.73","0.16","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H56 Cl3 N O6 P2 Pd -","- C46 H56 Cl3 N O6 P2 Pd -","- C92 H112 Cl6 N2 O12 P4 Pd2 -","2","2","","Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing","Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes","Organometallics","2010","29","3","536","","10.1021/om900829t","","","0.71073","MoKα","","0.0743","0.0634","","","0.1587","0.1671","","","","","","1.052","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4067375","6.688","0.0003","6.701","0.0003","46.634","0.002","85.896","0.001","85.972","0.002","60.254","0.003","1808.47","0.15","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H8 Fe N0 O7 -","- C11 H8 Fe O7 -","- C66 H48 Fe6 O42 -","6","6","","Ali Khan, Monika; Mahon, Mary F.; Stewart, Alan J. W.; Lewis, Simon E.","Iron(0) Tricarbonyl Complexes of Microbially Derived Cyclohexadiene Ligands Containing Quaternary Stereocenters","Organometallics","2010","29","1","199","","10.1021/om9009069","","","0.71073","MoKα","","0.0418","0.0318","","","0.0629","0.0662","","","","","","1.023","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4067932","9.7734","0.0003","11.6223","0.0004","15.3027","0.0005","88.046","0.002","74.705","0.001","82.959","0.001","1664.01","0.09","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C27 H53 F3 O3 P3 Rh S Si -","- C27 H53 F3 O3 P3 Rh S Si -","- C54 H106 F6 O6 P6 Rh2 S2 Si2 -","2","2","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0303","0.0284","","","0.0706","0.0721","","","","","","1.036","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4068905","8.028","0.0016","8.489","0.0017","11.453","0.002","79.77","0.03","78.72","0.03","83.25","0.03","750.5","0.3","120","2","120","2","","","","","","","","8","P 1","P 1","1","","","","- C26 H47 B F4 N O P2 Rh -","- C26 H47 B F4 N O P2 Rh -","- C26 H47 B F4 N O P2 Rh -","1","1","","Gaviglio, Carina; Ben-David, Yehoshoa; Shimon, Linda J. W.; Doctorovich, Fabio; Milstein, David","Synthesis, Structure, and Reactivity of Nitrosyl Pincer-Type Rhodium Complexes","Organometallics","2009","28","6","1917","","10.1021/om8011536","","","0.71073","MoKα","","0.0393","0.0369","","","0.083","0.0844","","","","","","1.061","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069018","15.6617","0.0004","15.8329","0.0004","16.2065","0.0005","98.715","0.001","92.6","0.001","90.599","0.002","3967.63","0.19","110","2","110","2","","","","","","","","8","P 1","P 1","1","","","","- C38.5 H33 Cl F6 N O2 P3 Pd -","- C38.5 H33 Cl F6 N O2 P3 Pd -","- C154 H132 Cl4 F24 N4 O8 P12 Pd4 -","4","4","","Wassenaar, Jeroen; van Zutphen, Steven; Mora, Guilhem; Le Floch, Pascal; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.","INDOLPhosphole and INDOLPhos Palladium−Allyl Complexes in Asymmetric Allylic Alkylations","Organometallics","2009","28","9","2724","","10.1021/om801204a","","","0.71073","MoKα","","0.0463","0.0359","","","0.077","0.0804","","","","","","1.053","","","","has coordinates,has disorder","178507","2020-10-21","18:00:00",""
"4069082","10.79","0.005","11.048","0.005","14.823","0.005","68.657","0.005","85.234","0.005","64.677","0.005","1482.1","1.1","293","2","293","2","","","","","","","","9","P 1","P 1","1","","","","- C28 H28 Cu F6 Fe N3 O2 P S -","- C28 H28 Cu F6 Fe N3 O2 P S -","- C56 H56 Cu2 F12 Fe2 N6 O4 P2 S2 -","2","2","","Goswami, Tridib K.; Roy, Mithun; Nethaji, Munirathinam; Chakravarty, Akhil R.","Photoinduced DNA and Protein Cleavage Activity of Ferrocene-Appendedl-Methionine Reduced Schiff Base Copper(II) Complexes of Phenanthroline Bases","Organometallics","2009","28","7","1992","","10.1021/om900012b","","","0.71073","MoKα","","0.0712","0.0538","","","0.1333","0.1457","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069441","4.7078","0.0006","9.159","0.0012","10.4321","0.0014","90","","90","","90","","449.82","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C14 H32 N4 O2 -","2","2","","Zhu, Xiancui; Fan, Jiaxi; Wu, Yunjun; Wang, Shaowu; Zhang, Lijun; Yang, Gaosheng; Wei, Yun; Yin, Chengwei; Zhu, Hong; Wu, Shihong; Zhang, Hongtao","Synthesis, Characterization, Selective Catalytic Activity, and Reactivity of Rare Earth Metal Amides with Different Metal−Nitrogen Bonds","Organometallics","2009","28","13","3882","","10.1021/om900191j","","","0.71073","MoKα","","0.037","0.0327","","","0.0928","0.0965","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4069619","9.7638","0.0003","9.9971","0.0003","10.092","0.0003","84.906","0.001","73.042","0.002","86.771","0.001","938.04","0.05","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H37 Cl4 N2 O6 P Pd -","- C36 H37 Cl4 N2 O6 P Pd -","- C36 H37 Cl4 N2 O6 P Pd -","1","1","","Liu, Fengli; Pullarkat, Sumod A.; Li, Yongxin; Chen, Shuli; Yuan, Mingjun; Lee, Zhi Yi; Leung, Pak-Hing","Highly Enantioselective Synthesis of (2-Pyridyl)phosphine Based C-Chiral Unsymmetrical P,N-Ligands Using a Chiral Palladium Complex","Organometallics","2009","28","13","3941","","10.1021/om900305u","","","0.71073","MoKα","","0.0376","0.0331","","","0.0657","0.0686","","","","","","1.01","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069954","8.9256","0.0008","9.1485","0.0004","10.0788","0.0004","113.854","0.002","100.832","0.003","95.984","0.003","724.24","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C27 H28 As Cl4 O P Pt -","- C27 H28 As Cl4 O P Pt -","- C27 H28 As Cl4 O P Pt -","1","1","","Ma, Mengtao; Pullarkat, Sumod A.; Yuan, Mingjun; Zhang, Na; Li, Yongxin; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylarsole and Diphenylvinylphosphine Oxide","Organometallics","2009","28","16","4886","","10.1021/om900530q","","","0.71073","MoKα","","0.0164","0.0163","","","0.0382","0.0382","","","","","","0.933","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069981","8.828","0.0005","8.8599","0.0008","10.6735","0.0009","97.331","0.004","106.433","0.005","99.819","0.005","775.22","0.11","233","2","233","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H43 N O Ru -","- C36 H43 N O Ru -","- C36 H43 N O Ru -","1","1","","Enk, Barbara; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Bildstein, Benno","An Efficient, Modular Route to New 2-Acyl-6-aminopentafulvenes and Planar-Chiral [N,O]-Functionalized Pentamethylruthenocenes","Organometallics","2009","28","18","5575","","10.1021/om900549c","","","0.71073","MoKα","","0.0348","0.0343","","","0.0803","0.0806","","","","","","1.06","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070205","11.317","0.0016","16.066","0.002","18.498","0.003","109.375","0.003","93.131","0.003","97.394","0.003","3129.4","0.8","223","2","223","2","","","","","","","","8","P 1","P 1","1","","","","- C48.45 H85.9 Cl1.9 F6 N5 O2 Os P3 -","- C48.45 H75.5 Cl1.9 F6 N5 O2 Os P3 -","- C96.9 H151 Cl3.8 F12 N10 O4 Os2 P6 -","2","2","","Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oñate, Enrique","Osmium−Alkenylcarbyne and −Alkenylcarbene Complexes with an Steroid Skeleton: Formation of a Testosterone Organometallic Derivative Containing the 7H-Amino Adenine Tautomer","Organometallics","2009","28","19","5691","","10.1021/om900647a","","","0.71073","MoKα","","0.1348","0.0879","","","0.2103","0.2313","","","","","","1.207","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070475","5.7897","0.0004","6.5159","0.0005","9.9614","0.0007","77.19","0.001","79","0.001","73.52","0.001","348.08","0.04","296","","296","","","","","","","","","6","P 1","P 1","1","","","","- C11 H15 Au Cl2 N2 O2 -","- C11 H15 Au Cl2 N2 O2 -","- C11 H15 Au Cl2 N2 O2 -","1","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","","0.086","0.086","","","0.087","","","","0.981","0.981","0.981","","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070762","9.7323","0.0005","10.0866","0.0005","14.1647","0.0007","91.517","0.003","99.724","0.003","97.879","0.003","1355.82","0.12","297","2","297","2","","","","","","","","8","P 1","P 1","1","","","","- C24 H34 B F4 Ir N2 O3 S -","- C24 H34 B F4 Ir N2 O3 S -","- C48 H68 B2 F8 Ir2 N4 O6 S2 -","2","2","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0301","0.0236","","","0.0476","0.0495","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071097","10.9667","0.0009","10.9759","0.0007","14.2777","0.0007","76.588","0.005","89.832","0.005","60.962","0.005","1449.39","0.19","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C27.5 H29 Cl F7 N O2.5 P2 Ru -","- C27.5 H29 Cl F7 N O2.5 P2 Ru -","- C55 H58 Cl2 F14 N2 O5 P4 Ru2 -","2","2","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.0531","0.0359","","","0.0743","0.0792","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071314","14.0389","0.001","15.8468","0.0013","17.5829","0.0011","88.576","0.003","71.269","0.002","84.408","0.002","3686.8","0.5","123","2","123","2","","","","","","","","7","P 1","P 1","1","","","","- C149 H174 Cl6 N8 P4 Pd2 S4 -","- C149 H174 Cl6 N8 P4 Pd2 S4 -","- C149 H174 Cl6 N8 P4 Pd2 S4 -","1","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0313","0.0306","","","0.0721","0.0725","","","","","","1.051","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071433","14.1852","0.0011","17.6952","0.0012","23.3093","0.0017","108.571","0.005","96.613","0.006","101.763","0.006","5326.5","0.7","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C47 H59 B11 Ir N3 O P2 Sn -","- C47 H59 B11 Ir N3 O P2 Sn -","- C188 H236 B44 Ir4 N12 O4 P8 Sn4 -","4","4","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.0812","0.061","","","0.1122","0.1251","","","","","","1.117","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071463","10.143","0.0004","11.374","0.0005","16.292","0.0007","87.179","0.002","86.37","0.0019","73.739","0.0018","1799.77","0.13","293","","293","","","","","","","","","2","P 1","P 1","1","","","","- C21 N2 -","- C21 N2 -","- C84 N8 -","4","4","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.2742","0.2097","","0.4773","0.428","0.4773","","","","","","0.9893","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071573","9.908","0.003","14.267","0.004","21.596","0.005","96.105","0.005","91.797","0.005","92.448","0.005","3030.7","1.4","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H22 I2 N2 Pt -","- C16 H22 I2 N2 Pt -","- C96 H132 I12 N12 Pt6 -","6","6","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0371","0.0348","","","0.0819","0.0829","","","","","","1.027","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071900","11.3914","0.0017","12.7982","0.0019","13.092","0.0019","90.109","0.003","107.61","0.002","103.228","0.003","1765.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C34 H36 Cl6 N O2 Os P -","- C34 H32 Cl6 N O2 Os P -","- C68 H64 Cl12 N2 O4 Os2 P2 -","2","2","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Osmium-Catalyzed Allylic Alkylation","Organometallics","2008","27","19","4892","","10.1021/om800460h","","","0.71073","MoKα","","0.0533","0.0459","","","0.1091","0.1131","","","","","","1.027","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071975","8.0388","","8.1586","","12.571","","91.974","","108.419","","109.78","","726.797","","","","293","","","","","","","","","7","P 1","P 1","1","","","","- C28 H27 Br2 Cl2 N2 P Pd -","- C28 H27 Br2 Cl2 N2 P Pd -","- C28 H27 Br2 Cl2 N2 P Pd -","1","1","","Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc","Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions","Organometallics","2008","27","22","5997","","10.1021/om800498a","","","0.71069","MoKα","","0.0483","0.0392","","","0.0923","0.0986","","","","1.45","1.45","1.49","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071988","9.8143","0.0007","13.4117","0.0011","14.9784","0.0012","88.404","0.006","75.817","0.006","69.459","0.006","1786.3","0.3","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H38 Br Li Mn2 N4 O10 -","- C28 H38 Br Li Mn2 N4 O10 -","- C56 H76 Br2 Li2 Mn4 N8 O20 -","2","2","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.0763","0.055","","","0.1183","0.128","","","","","","0.971","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4072132","11.036","0.0005","11.7476","0.0006","11.8519","0.0007","83.696","0.005","67.575","0.004","83.281","0.004","1407.05","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H92 Cl2 Ti2 -","- C60 H92 Cl2 Ti2 -","- C60 H92 Cl2 Ti2 -","1","1","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.0903","0.0389","","","0.0492","0.0562","","","","","","0.709","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072187","10.5749","0.0013","15.88","0.002","16.688","0.002","70.161","0.007","79.861","0.007","85.599","0.007","2594.5","0.6","100","2","100","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C21 H27 Al F12 N2 O3 -","- C21 H27 Al F12 N2 O3 -","- C84 H108 Al4 F48 N8 O12 -","4","4","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.1877","0.07","","","0.1103","0.1482","","","","","","0.933","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072764","9.5019","0.0002","10.3879","0.0004","10.5069","0.0003","112.468","0.0016","112.49","0.002","98.281","0.0019","832.75","0.05","295","2","295","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H35 Fe N P2 -","- C41 H35 Fe N P2 -","- C41 H35 Fe N P2 -","1","1","","Yen, Yung-Sheng; Lin, Ying-Chih; Liu, Yi-Hung; Wang, Yu","Deprotonation of Iron Vinylidene Complexes Containing a dppe Ligand","Organometallics","2007","26","5","1250","","10.1021/om061005t","","","0.71073","MoKα","","0.0402","0.0348","","","0.0772","0.0804","","","","","","1.042","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072794","7.4217","0.0018","9.326","0.002","10.718","0.003","93.263","0.004","108.721","0.004","101.016","0.004","684","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","JAA25-3","","","- C28 H48 N2 Ni P2 -","- C28 H48 N2 Ni P2 -","- C28 H48 N2 Ni P2 -","1","1","","Acosta-Ramírez, Alberto; Flores-Gaspar, Areli; Muñoz-Hernández, Miguel; Arévalo, Alma; Jones, William D.; García, Juventino J.","Nickel Complexes Involved in the Isomerization of 2-Methyl-3-butenenitrile","Organometallics","2007","26","7","1712","","10.1021/om061037g","","","0.71073","MoKα","","0.0353","0.0346","","","0.0833","0.0837","","","","","","1.062","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4073245","8.6793","0.0005","11.7118","0.0007","11.852","0.0007","84.111","0.001","79.798","0.001","84.993","0.001","1176.51","0.12","273","2","273","2","","","","","","","","8","P 1","P 1","1","","","","- C35 H50 Cl6 F12 Ir2 N4 O P2 -","- C35 H50 Cl6 F12 Ir2 N4 O P2 -","- C35 H50 Cl6 F12 Ir2 N4 O P2 -","1","1","","Corberán, Rosa; Sanaú, Mercedes; Peris, Eduardo","“Cp*Ir(III)” Complexes with Hemicleaveable Ligands of the TypeN-Alkenyl Imidazolin-2-ylidene. Reactivity and Catalytic Properties","Organometallics","2007","26","14","3492","","10.1021/om070188w","","","0.71073","MoKα","","0.0428","0.0363","","","0.1167","0.1207","","","","","","1.102","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073493","5.0093","0.0009","5.7478","0.001","13.953","0.003","97.094","0.004","98.241","0.004","93.637","0.004","393.2","0.13","115","2","115","2","","","","","","","","3","P 1","P 1","1","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C18 H24 O4 -","2","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","","0.061","0.0462","","","0.116","0.1238","","","","","","1.06","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073934","10.4905","0.0006","14.6466","0.0009","18.4648","0.0011","101.028","0.002","96.166","0.002","92.38","0.002","2763","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C123 H140 Cl4 O6 P4 Pd2 -","- C123 H140 Cl4 O6 P4 Pd2 -","- C123 H140 Cl4 O6 P4 Pd2 -","1","1","","Rubio, Miguel; Suárez, Andrés; Álvarez, Eleuterio; Bianchini, Claudio; Oberhauser, Werner; Peruzzini, Maurizio; Pizzano, Antonio","Asymmetric Hydroformylation of Olefins with Rh Catalysts Modified with Chiral Phosphine−Phosphite Ligands","Organometallics","2007","26","25","6428","","10.1021/om700744b","","","0.71073","MoKα","","0.0586","0.0447","","","0.1056","0.1115","","","","","","0.99","","","","has coordinates,has disorder","178628","2020-10-21","18:00:00",""
"4074336","9.6051","0.0013","9.9781","0.0013","10.4687","0.0014","111.552","0.002","90.165","0.002","108.708","0.002","875.5","0.2","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(4aR,8aR)-tetrahydro-2,4,4,6,8,8-hexaphenyl-[1,3,2]dioxaborinino [5,4-d][1,3,2]dioxaborinine","","- C40 H32 B2 O5 -","- C40 H32 B2 O5 -","- C40 H32 B2 O5 -","1","1","","Zhou, Yan; Shan, Zixing; Wang, Baoshan; Xie, Peng","Hydrolytically Stable Tricoordinate Chiral Bicyclo[4.4.0]diboronic Ester: Synthesis, Structural Characterization, and Theoretical Investigation†","Organometallics","2006","25","20","4917","","10.1021/om060559t","","","0.71073","MoKα","","0.0773","0.0602","","","0.149","0.1654","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074503","11.3991","0.001","14.296","0.0016","14.8001","0.0011","68.146","0.001","68.994","0.001","88.697","0.002","2072.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H16 Fe2 O9 S2 -","- C14 H16 Fe2 O9 S2 -","- C56 H64 Fe8 O36 S8 -","4","4","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.0429","0.032","","","0.0816","0.0888","","","","","","1.02","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074519","9.71","0.003","13.593","0.004","15.154","0.005","85.181","0.008","89.777","0.008","77.53","0.008","1945.8","1.1","293","2","293","2","","","","","","","","7","P 1","P 1","1","[PdCl(2-methallyl)(phosphoramidite)]","","","- C80 H76 Cl2 N2 O12 P2 Pd2 -","- C40 H38 Cl N O6 P Pd -","- C80 H76 Cl2 N2 O12 P2 Pd2 -","2","2","","Filipuzzi, Serena; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","Palladium-Allyl Phosphoramidite Complexes: Solid-State Structures and Solution Dynamics","Organometallics","2006","25","25","5955","","10.1021/om060726p","","","0.71073","MoKα","","0.1182","0.0913","","","0.2219","0.2406","","","","","","1.046","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074596","13.001","0.006","13.676","0.007","18.526","0.009","82.144","0.007","71.255","0.007","61.738","0.006","2747","2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H80 F3 O3.5 P5 Pt2 S -","- C51 H80 F3 O3.5 P5 Pt2 S -","- C102 H160 F6 O7 P10 Pt4 S2 -","2","2","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0778","0.063","","","0.1462","0.1526","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074961","12.5439","0.0018","12.7227","0.0019","17.051","0.003","94.138","0.003","91.495","0.003","101.742","0.003","2655","0.7","293","2","293","2","","","","","","","","7","P 1","P 1","1","[RuCl2(PNNP)]","","","- C52 H32 Cl2 F24 N2 P2 Ru -","- C52 H32.5 Cl2 F24 N2 P2 Ru -","- C104 H65 Cl4 F48 N4 P4 Ru2 -","2","2","","Bonaccorsi, Cristina; Santoro, Francesco; Gischig, Sebastian; Mezzetti, Antonio","Chiral Dicationic Bis(aqua) Complexes [Ru(OH2)2(PNNP)]2+: The Effect of Double Chloride Abstraction on Asymmetric Cyclopropanation","Organometallics","2006","25","8","2002","","10.1021/om0510627","","x-ray","0.71073","MoKα","","0.0339","0.0308","","","0.0775","0.0799","","","","","","1.049","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4075327","8.4126","0.0005","11.0513","0.0007","11.2962","0.0008","74.006","0.003","73.075","0.003","85.554","0.003","965.83","0.11","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H67 Cr Mg N4 Na -","- C38 H67 Cr Mg N4 Na -","- C38 H67 Cr Mg N4 Na -","1","1","","Andrikopoulos, Prokopis C.; Armstrong, David R.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Synergic Para-Directed Monometalation of Bis(toluene)chromium by Alkali-Metal-Mediated Magnesiation","Organometallics","2006","25","10","2415","","10.1021/om060216v","","","0.71073","MoKα","","0.0974","0.064","","","0.1314","0.1487","","","","","","1.088","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075428","9.9081","0.0015","11.1339","0.0017","14.528","0.002","96.546","0.002","102.527","0.002","90.104","0.002","1553.7","0.4","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H36 N4 O2 -","- C39 H36 N4 O2 -","- C78 H72 N8 O4 -","2","2","","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","","","0.8462","synchrotron","","0.0707","0.0625","","","0.1589","0.1682","","","","","","1.016","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075464","9.246","0.0003","9.3525","0.0003","21.5658","0.0008","87.784","0.001","78.42","0.001","66.072","0.001","1667.99","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H46 N2 Ni S -","- C38 H46 N2 Ni S -","- C76 H92 N4 Ni2 S2 -","2","2","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0348","0.0269","","","0.0675","0.0706","","","","","","0.982","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075721","6.055","0.0006","6.854","0.0006","10.086","0.0008","105.771","0.007","101.616","0.007","104.784","0.009","372.64","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H14 Fe Se2 -","- C16 H14 Fe Se2 -","- C16 H14 Fe Se2 -","1","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.0649","0.0527","","","0.1291","0.1385","","","","","","1.11","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075865","7.1474","0.0005","7.204","0.0005","14.5058","0.0009","86.494","0.004","86.862","0.003","67.238","0.003","687.05","0.08","110","2","110","2","","","","","","","","7","P 1","P 1","1","","","","- C4 H11 B10 Cl N O3 Re -","- C4 H11 B10 Cl N O3 Re -","- C8 H22 B20 Cl2 N2 O6 Re2 -","2","2","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0287","0.0257","","","0.0634","0.0639","","","","","","1.028","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4076069","6.6982","0.0019","8.581","0.003","13.423","0.004","76.702","0.005","84.661","0.006","88.959","0.006","747.6","0.4","383","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H12 Cl4 N2 Pd -","- C13 H12 Cl4 N2 Pd -","- C26 H24 Cl8 N4 Pd2 -","2","2","","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","The Firsttrans-Configured Cyclopalladated Amine","Organometallics","2005","24","22","5491","","10.1021/om050524d","","","0.7107","MoKα","","0.0849","0.0683","","","0.1674","0.1763","","","","","","1.013","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076188","7.305","0.0003","11.0525","0.0004","11.3905","0.0005","75.366","0.001","81.821","0.001","85.879","0.001","880.15","0.06","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C8.25 H8.25 Ag0.75 Cl0.75 N2.25 -","- C8.25 H8.25 Ag0.75 Cl0.75 N2.25 -","- C33 H33 Ag3 Cl3 N9 -","4","4","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0144","0.0143","","","0.036","0.0361","","","","","","1.025","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076242","9.1155","0.0001","10.3552","0.0001","12.5275","0.0002","106.318","0.001","111.09","0.001","95.128","0.001","1034.62","0.03","150","1","150","1","","","","","","","","5","P 1","P 1","1","","","","- C47 H52 N2 P2 Ru -","- C47 H52 N2 P2 Ru -","- C47 H52 N2 P2 Ru -","1","1","","Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H.","Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes","Organometallics","2004","23","1","86","","10.1021/om034178g","","","0.71073","MoKα","","0.0242","0.0238","","","0.0571","0.0574","","","","","","1.04","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4076640","8.617","0.003","9.591","0.003","15.899","0.007","84.36","0.05","86.95","0.03","89.22","0.02","1305.7","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H31 Fe O2 P -","- C30 H31 Fe O2 P -","- C60 H62 Fe2 O4 P2 -","2","2","","Jenny, Titus A.; Huber, Vroni; Ma, Liqian; Raemy, Jacques; Zeller, David; Stoeckli-Evans, Helen","Synthesis, X-ray Structure, and Reactivity of Phosphine-Substituted Iron Carbonyl Complexes Containingσ-Alkyl−π-Allyl Ligands","Organometallics","2002","21","12","2504","","10.1021/om010781s","","","0.71073","MoKα","","0.0646","0.0486","","","0.1258","0.1417","","","","","","1.1","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076743","9.2197","0.0007","9.9086","0.0007","12.3324","0.0009","108.901","0.001","100.538","0.001","97.534","0.001","1025.71","0.13","293","2","293","2","","","","","","","","6","P 1","P 1","1","","trans-[Ru(t-BuNC)4(Sxylyl)2].2H2O?","","- C36 H58 N4 O2 Ru S2 -","- C36 H54 N4 O2 Ru S2 -","- C36 H54 N4 O2 Ru S2 -","1","1","","Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung","σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates","Organometallics","2002","21","19","4017","","10.1021/om011019t","","","0.71073","MoKα","","0.0371","0.0368","","","0.1026","0.1035","","","","","","1.05","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4077738","7.877","0.001","8.793","0.001","13.087","0.002","93.309","0.013","105.005","0.012","108.641","0.012","819.8","0.2","298","2","298","2","","","","","","","","6","P 1","P 1","1","(S,S)-1,1'-Bis(2-methoxyphenyl(phenyl)- phosphino)ferrocene borane'","","","- C36 H38 B2 Fe O2 P2 -","- C36 H38 B2 Fe O2 P2 -","- C36 H38 B2 Fe O2 P2 -","1","1","","Maienza, Francesca; Wörle, Michael; Steffanut, Pascal; Mezzetti, Antonio; Spindler, Felix","Ferrocenyl Diphosphines Containing Stereogenic Phosphorus Atoms. Synthesis and Application in the Rhodium-Catalyzed Asymmetric Hydrogenation","Organometallics","1999","18","6","1041","","10.1021/om980754a","","","0.71073","MoKα","","0.0428","0.0372","","0.092","0.0863","","","","1.065","1.048","1.048","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077950","10.79","0.005","11.048","0.005","14.823","0.005","68.657","0.005","85.234","0.005","64.677","0.005","1482.1","1.1","293","2","293","2","","","","","","","","9","P 1","P 1","1","","","","- C28 H28 Cu F6 Fe N3 O2 P S -","- C28 H28 Cu F6 Fe N3 O2 P S -","- C56 H56 Cu2 F12 Fe2 N6 O4 P2 S2 -","2","2","","Goswami, Tridib K.; Gadadhar, Sudarshan; Roy, Mithun; Nethaji, Munirathinam; Karande, Anjali A.; Chakravarty, Akhil R.","Ferrocene-Conjugated Copper(II) Complexes ofl-Methionine and Phenanthroline Bases: Synthesis, Structure, and Photocytotoxic Activity","Organometallics","2012","31","8","3010","","10.1021/om201102k","","","0.71073","MoKα","","0.0712","0.0538","","","0.1333","0.1457","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078425","9.1722","0.0007","9.2924","0.0007","9.3428","0.0007","113.969","0.001","96.367","0.001","115.246","0.001","618.01","0.08","144.5","0.2","144.5","0.2","","","","","","","","5","P 1","P 1","1","","","","- C24 H38 N2 O2 Zn2 -","- C24 H38 N2 O2 Zn2 -","- C24 H38 N2 O2 Zn2 -","1","1","","Wang, Yang; Zhao, Wei; Liu, Dongtao; Li, Shihui; Liu, Xinli; Cui, Dongmei; Chen, Xuesi","Magnesium and Zinc Complexes Supported byN,O-Bidentate Pyridyl Functionalized Alkoxy Ligands: Synthesis and Immortal ROP of ε-CL andl-LA","Organometallics","2012","31","11","4182","","10.1021/om300113p","","","0.71073","MoKα","","0.0226","0.0209","","","0.0548","0.0559","","","","","","1.096","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078426","10.8501","0.0005","11.5735","0.0005","11.8514","0.0005","118.604","0.001","92.056","0.001","97.707","0.001","1286.19","0.1","185","2","185","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H70 N2 O4 Zn2 -","- C59 H70 N2 O4 Zn2 -","- C59 H70 N2 O4 Zn2 -","1","1","","Wang, Yang; Zhao, Wei; Liu, Dongtao; Li, Shihui; Liu, Xinli; Cui, Dongmei; Chen, Xuesi","Magnesium and Zinc Complexes Supported byN,O-Bidentate Pyridyl Functionalized Alkoxy Ligands: Synthesis and Immortal ROP of ε-CL andl-LA","Organometallics","2012","31","11","4182","","10.1021/om300113p","","","0.71073","MoKα","","0.0355","0.032","","","0.0804","0.0835","","","","","","1.105","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078444","10.0952","0.0006","11.0657","0.0006","12.6518","0.0012","105.215","0.004","96.05","0.004","115.719","0.002","1188.96","0.16","100","2","100","2","","","","","","","","8","P 1","P 1","1","RRR50-1605 (R,R~Ox~,R~Fc~)-22.CH2Cl2","Dichloro(acetonitrile)[(4R,1'R,R~Fc~))-2-[4,5-dihydro-4-(1-methylethyl) oxazol-2-yl-κN)-1-[1-(diphenylphosphino)ethyl-κP]-ferrocene] triphenylphosphine ruthenium dichloromethane solvate","","- C51 H52 Cl4 Fe N2 O P2 Ru -","- C51 H52 Cl4 Fe N2 O P2 Ru -","- C51 H52 Cl4 Fe N2 O P2 Ru -","1","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0424","0.0414","","","0.1064","0.1075","","","","","","1.031","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078832","9.7202","0.0006","11.9718","0.0007","13.271","0.0008","80.868","0.003","76.542","0.003","67.524","0.003","1383.65","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H38 N2 O7 Si -","- C24 H38 N2 O7 Si -","- C48 H76 N4 O14 Si2 -","2","2","","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","","0.0351","0.0322","","","0.0828","0.0853","","","","","","1.033","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4079074","9.9389","0.0002","14.2081","0.0002","15.4979","0.0003","85.335","0.001","72.429","0.001","74.18","0.001","2007.37","0.06","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H25 Br Fe O Si2 -","- C17 H25 Br Fe O Si2 -","- C68 H100 Br4 Fe4 O4 Si8 -","4","4","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0543","0.0496","","","0.1314","0.1381","","","","","","1.078","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079386","10.4386","0.0004","15.8857","0.0007","16.7485","0.0008","70.586","0.001","71.854","0.002","86.595","0.002","2486.11","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H38 P2 Pt -","- C26 H38 P2 Pt -","- C104 H152 P8 Pt4 -","4","4","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0427","0.0342","","","0.0713","0.0765","","","","","","1.065","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079546","9.5879","0.0019","18.125","0.004","21.11","0.004","70.52","0.03","82","0.03","87.25","0.03","3424.9","1.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H36 I2 N5 O4 Pt -","- C28 H36 I2 N5 O4 Pt -","- C112 H144 I8 N20 O16 Pt4 -","4","4","","Chardon, Edith; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Derivatization of Preformed Platinum N-Heterocyclic Carbene Complexes with Amino Acid and Peptide Ligands and Cytotoxic Activities toward Human Cancer Cells","Organometallics","2012","31","21","7618","","10.1021/om300806g","","","1.54178","CuKα","","0.0715","0.0512","","","0.1113","0.1404","","","","","","0.901","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079639","9.374","0.004","10.985","0.005","12.126","0.005","89.317","0.011","73.436","0.01","82.832","0.01","1187.1","0.9","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C49 H61 B Fe N2 O3 P2 -","- C49 H61 B Fe N2 O3 P2 -","- C49 H61 B Fe N2 O3 P2 -","1","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","Change in Coordination of NCN Pincer Iron Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","23","8283","","10.1021/om300901k","","","0.71073","MoKα","","0.0616","0.0475","","","0.0996","0.1041","","","","","","0.951","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079707","9.5284","0.0003","10.4146","0.0004","14.4364","0.0005","81.314","0.001","74.581","0.001","66.956","0.001","1269.05","0.08","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H29 Cl N P Pt -","- C30 H29 Cl N P Pt -","- C60 H58 Cl2 N2 P2 Pt2 -","2","2","","Tan, Kien-Wee; Yang, Xiang-Yuan; Li, Yongxin; Huang, Yinhua; Pullarkat, Sumod A.; Leung, Pak-Hing","Reactivity of Cycloplatinated Amine Complexes: Intramolecular C‒C Bond Formation, C‒H Activation, and PPh2Migration in Coordinated Alkynylphosphines","Organometallics","2012","31","23","8407","","10.1021/om300976y","","","0.71073","MoKα","","0.0352","0.0286","","","0.062","0.0857","","","","","","1.097","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079987","11.2875","0.0003","13.766","0.0004","14.7211","0.0005","102.974","0.001","109.236","0.001","90.019","0.001","2097.71","0.11","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C50 H46 Cl2 Fe2 P2 Pd -","- C50 H46 Cl2 Fe2 P2 Pd -","- C100 H92 Cl4 Fe4 P4 Pd2 -","2","2","","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","","0.0324","0.0274","","","0.0572","0.059","","","","","","1.009","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080089","11.2688","0.0004","14.6804","0.0005","15.1107","0.0004","109.367","0.002","90.523","0.002","104.076","0.002","2276.47","0.13","100","2","100","2","","","","","","","","7","P 1","P 1","1","1595 ww magr114 [PdCl2(12)].C7H8.1/2(H2O)","Dichloro-{(S~Fc~)-2-[(R)-1-diphenylphosphinoethyl-κP]- (R~Fc~)-2''-diphenylphosphino-?P-1,1''-biferrocene} palladium(II) toluene monosolvate hemihydrate","","- C53 H49 Cl2 Fe2 O0.5 P2 Pd -","- C53 H48 Cl2 Fe2 O0.3655 P2 Pd -","- C106 H96 Cl4 Fe4 O0.731 P4 Pd2 -","2","2","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0246","0.0231","","","0.0568","0.0581","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080636","9.8875","0.0009","10.6135","0.001","10.6892","0.0009","71.972","0.002","70.386","0.002","85.06","0.002","1004.57","0.16","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H42 F6 N4 O12 Pd2 S2 -","- C32 H42 F6 N4 O12 Pd2 S2 -","- C32 H42 F6 N4 O12 Pd2 S2 -","1","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","0.71073","MoKα","","0.036","0.0288","","","0.0546","0.057","","","","","","1.033","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4081468","14.2328","0.0007","14.5307","0.0007","15.9379","0.0008","92.544","0.003","113.818","0.002","92.667","0.003","3005","0.3","123","","123","","","","","","","","","9","P 1","P 1","1","","","","- C112 H89 B2 Cl5 F48 Ir2 N4 O4 P2 -","- C112 H86 B2 Cl5 F48 Ir2 N4 O4 P2 -","- C112 H86 B2 Cl5 F48 Ir2 N4 O4 P2 -","1","1","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.035","0.0267","","0.0497","0.0261","0.0255","","","","","","0.9621","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081469","12.8192","0.0003","16.1838","0.0004","17.2644","0.0004","67.907","0.001","69.401","0.001","84.593","0.001","3103.56","0.13","123","","123","","","","","","","","","9","P 1","P 1","1","","","","- C56.28 H47.55 B Cl2.55 F24 Ir N2 O2 P -","- C56.275 H43.55 B Cl2.55 F24 Ir N2 O2 P -","- C112.55 H87.1 B2 Cl5.1 F48 Ir2 N4 O4 P2 -","2","2","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.0321","0.0265","","0.0342","0.0269","0.0266","","","","","","1.0761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081470","13.3861","0.0009","14.708","0.001","16.6176","0.0011","103.794","0.004","90.144","0.004","107.081","0.004","3027.9","0.4","123","","123","","","","","","","","","9","P 1","P 1","1","","","","- C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2 -","- C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2 -","- C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2 -","1","1","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.0454","0.0352","","0.0548","0.0382","0.0374","","","","","","1.1125","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081471","13.0057","0.0009","16.3543","0.0012","17.8121","0.0012","70.889","0.003","85.622","0.004","66.774","0.004","3283.6","0.4","123","","123","","","","","","","","","8","P 1","P 1","1","","","","- C115 H104 B2 Cl6 F48 Ir2 N6 O2 -","- C115 H100 B2 Cl6 F48 Ir2 N6 O2 -","- C115 H100 B2 Cl6 F48 Ir2 N6 O2 -","1","1","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.0588","0.0453","","0.073","0.0498","0.0485","","","","","","1.125","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081488","9.3728","0.0001","9.8452","0.0001","18.5988","0.0002","78.3571","0.0006","76.9884","0.0006","87.6089","0.0007","1637.76","0.03","150","2","150","2","","","","","","","","8","P 1","P 1","1","","","","- C37 H33 Cl2 Fe N O P2 Pd -","- C37 H33 Cl2 Fe N O P2 Pd -","- C74 H66 Cl4 Fe2 N2 O2 P4 Pd2 -","2","2","","Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana","Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents","Organometallics","2013","32","20","5754","","10.1021/om400282z","","","0.71073","MoKα","","0.0334","0.0289","","","0.0632","0.0654","","","","","","1.043","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081537","8.772","0.0008","10.015","0.0009","10.8988","0.0009","99.082","0.007","108.195","0.008","111.41","0.009","805.84","0.16","173","2","173","2","","","","","","","","7","P 1","P 1","1","","(3aR,7aR)-[(RFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","1","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0487","0.0378","","","0.059","0.0608","","","","","","0.8","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081539","8.7793","0.0004","10.0243","0.0004","10.8791","0.0005","99.137","0.004","108.131","0.004","111.422","0.004","805.86","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","(3aS,7aS)-[(SFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","1","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0362","0.0313","","","0.0493","0.05","","","","","","0.855","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4082185","9.3466","0.0019","9.971","0.002","29.427","0.006","83.5","0.03","86.51","0.03","62.8","0.03","2423.4","1.1","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 K N4 -","- C24 H37 K N4 -","- C96 H148 K4 N16 -","4","4","","Andrews, Philip C.; Blair, Victoria L.; Border, Emily C.; Peatt, Anna C.; MacLellan, Jonathan G.; Thompson, Christopher D.","Alkali-Metal-Induced C‒C Bond Cleavage and CH4Elimination in the Amido →Aza-Allyl Transformation of the (S)-N-α-(Methylbenzyl)benzylamido Anion","Organometallics","2013","32","24","7509","","10.1021/om400997b","","","0.71073","MoKα","","0.1244","0.0566","","","0.0885","0.1085","","","","","","0.931","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082395","9.141","0.003","10.484","0.004","15.961","0.006","91.789","0.005","104.749","0.004","96.057","0.004","1468.3","0.9","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H73 Br2 Cl3 N4 O4 Pd -","- C53 H73 Br2 Cl3 N4 O4 Pd -","- C53 H73 Br2 Cl3 N4 O4 Pd -","1","1","","Li, Yinle; Tang, Junkai; Gu, Jun; Wang, Quanrui; Sun, Peipei; Zhang, Dao","Chiral 1,2-Cyclohexane-Bridged Bis-NHC Palladium Catalysts for Asymmetric Suzuki‒Miyaura Coupling: Synthesis, Characterization, and Steric Effects on Enantiocontrol","Organometallics","2014","33","4","876","","10.1021/om400825e","","","0.71073","MoKα","","0.0591","0.0554","","","0.1503","0.1569","","","","","","1.034","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082407","10.0029","0.0007","12.2952","0.0009","13.7628","0.001","64.84","0.003","69.496","0.003","74.981","0.003","1422.82","0.18","100","2","100","2","","","","","","","","9","P 1","P 1","1","","compound 9b","","- C66 H65 F6 Fe N O2 P Pd Sb -","- C66 H65 F6 Fe N O2 P Pd Sb -","- C66 H65 F6 Fe N O2 P Pd Sb -","1","1","","Ayerbe Garcia, Marta; Frey, Wolfgang; Peters, René","Sterically Demanding Planar Chiral P,N Ligands by Diastereoselective Ortho Lithiation of Pentaphenylferrocenyloxazolines and Their Application to Palladium-Catalyzed Substitutions with Cyclic Allylic Acetates","Organometallics","2014","33","4","1068","","10.1021/om500049f","","","1.54178","CuKα","","0.0212","0.0203","","","0.0469","0.0471","","","","","","1.031","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082408","10.5086","0.0008","12.1296","0.001","12.3843","0.001","96.876","0.004","105.251","0.004","99.734","0.004","1478.5","0.2","110","2","110","2","","","","","","","","9","P 1","P 1","1","","compound 13","","- C68 H67 F6 Fe N O2 P Pd Sb -","- C68 H67 F6 Fe N O2 P Pd Sb -","- C68 H67 F6 Fe N O2 P Pd Sb -","1","1","","Ayerbe Garcia, Marta; Frey, Wolfgang; Peters, René","Sterically Demanding Planar Chiral P,N Ligands by Diastereoselective Ortho Lithiation of Pentaphenylferrocenyloxazolines and Their Application to Palladium-Catalyzed Substitutions with Cyclic Allylic Acetates","Organometallics","2014","33","4","1068","","10.1021/om500049f","","","0.71073","MoKα","","0.0231","0.0206","","","0.0427","0.0433","","","","","","1.029","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082771","9.4733","0.0002","9.7913","0.0002","14.0972","0.0003","87.915","0.001","70.665","0.001","76.805","0.001","1200.18","0.04","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C66 H56 O2 Zr -","- C66 H56 O2 Zr -","- C66 H56 O2 Zr -","1","1","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0422","0.0343","","","0.0673","0.07","","","","","","1.01","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4083128","18.9034","0.0008","19.2675","0.0008","21.7282","0.0009","88.392","0.002","86.507","0.002","86.23","0.002","7879.8","0.6","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C322 H306 Au16 F24 O21.5 P12 -","- C322 H306 Au16 F24 O21.5 P12 -","- C322 H306 Au16 F24 O21.5 P12 -","1","1","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0663","0.0452","","","0.0884","0.0941","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083556","10.9989","0.0012","11.2875","0.0012","18.3289","0.0019","103.662","0.003","90.306","0.004","105.477","0.003","2125.3","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48.5 H57 B O3 P2 -","- C48.5 H57 B O3 P2 -","- C97 H114 B2 O6 P4 -","2","2","","Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton","1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations","Organometallics","2014","33","12","2960","","10.1021/om500378b","","","0.71073","MoKα","","0.0482","0.0392","","","0.098","0.1085","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083755","8.7965","0.0007","9.5886","0.0008","15.9747","0.0014","80.34","0.001","79.043","0.001","71.122","0.001","1243.46","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","cmpd14","cmpd14","","- C24 H41 N3 O2 W -","- C24 H41 N3 O2 W -","- C48 H82 N6 O4 W2 -","2","2","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.061","0.0464","","","0.0967","0.1088","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083775","9.4787","0.001","11.2847","0.0013","14.3606","0.0017","78.561","0.006","85.785","0.006","85.576","0.006","1498.4","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H40 B Cl Fe N6 -","- C23 H40 B Cl Fe N6 -","- C46 H80 B2 Cl2 Fe2 N12 -","2","2","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0453","0.0366","","","0.0851","0.0885","","","","","","1.003","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083881","9.034","0.0003","15.4832","0.0005","23.1692","0.0008","80.199","0.001","85.162","0.001","82.015","0.001","3156.41","0.18","150","2","150","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H37 Ti -","- C24 H37 Ti -","- C144 H222 Ti6 -","6","6","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0745","0.0584","","","0.147","0.1581","","","","","","1.019","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083930","10.3632","0.0008","11.2217","0.0009","11.5003","0.0009","117.744","0.001","107.588","0.001","95.622","0.001","1082.24","0.15","250","2","250","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H38 O6 P2 Ru S2 -","- C51 H38 O6 P2 Ru S2 -","- C51 H38 O6 P2 Ru S2 -","1","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.0295","0.0283","","","0.0654","0.0664","","","","","","1.018","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4084035","8.12222","0.0001","8.12652","0.0001","15.8261","0.0002","90.5804","0.0011","92.7095","0.0011","105.581","0.0011","1004.81","0.02","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H33 P Zr -","- C22 H33 P Zr -","- C44 H66 P2 Zr2 -","2","2","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","1.54184","CuKα","","0.0298","0.0295","","","0.0809","0.0811","","","","","","1.088","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084072","10.1702","0.001","11.443","0.0011","11.597","0.0012","61.817","0.002","88.618","0.002","85.323","0.002","1185.5","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","trans-[Fe(MeCN)2(7a)](SbF6) (9a)","","","- C40 H44 Cl4 F12 Fe N4 P2 Sb2 -","- C40 H44 Cl4 F12 Fe N4 P2 Sb2 -","- C40 H44 Cl4 F12 Fe N4 P2 Sb2 -","1","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0856","0.0555","","","0.1063","0.1173","","","","","","0.921","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084359","12.2291","0.0017","13.6366","0.0019","16.584","0.002","77.468","0.008","72.261","0.007","66.012","0.006","2392.8","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","15-Ni","","- C48.5 H53 Au2 Cl3 N6 Ni O2 -","- C48.5 H53 Au2 Cl3 N6 Ni O2 -","- C97 H106 Au4 Cl6 N12 Ni2 O4 -","2","2","","Mechler, Melanie; Frey, Wolfgang; Peters, René","Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes","Organometallics","2014","33","19","5492","","10.1021/om500762r","","","0.71073","MoKα","","0.178","0.1092","","","0.2575","0.2859","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084413","10.1687","0.0003","11.5076","0.0004","14.309","0.0004","71.743","0.003","79.641","0.003","68.989","0.004","1480.08","0.09","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H28 B F4 N5 O3 Pd -","- C26 H28 B F4 N5 O3 Pd -","- C52 H56 B2 F8 N10 O6 Pd2 -","2","2","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0405","0.0383","","","0.1094","0.1119","","","","","","1.057","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084538","12.668","0.004","13.157","0.004","14.033","0.005","91.596","0.008","108.974","0.007","95.657","0.007","2196.6","1.2","147","2","147","2","","","","","","","","9","P 1","P 1","1","","","","- C44 H59 B Br F4 Fe N O4 P2 -","- C44 H59 B Br F4 Fe N O4 P2 -","- C88 H118 B2 Br2 F8 Fe2 N2 O8 P4 -","2","2","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","0.71073","MoKα","","0.0586","0.0441","","","0.1152","0.1227","","","","","","1.06","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084561","10.981","0.0002","11.0325","0.0002","20.8647","0.0004","76.9799","0.0007","86.9927","0.0008","61.5591","0.0009","2161.06","0.07","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C84 H102 Cl4 N4 O3 Ru2 -","- C84 H102 Cl4 N4 O3 Ru2 -","- C84 H102 Cl4 N4 O3 Ru2 -","1","1","","Paradiso, Veronica; Bertolasi, Valerio; Grisi, Fabia","Novel Olefin Metathesis Ruthenium Catalysts Bearing Backbone-Substituted Unsymmetrical NHC Ligands","Organometallics","2014","33","21","5932","","10.1021/om500731k","","","0.71073","MoKα","","0.0607","0.044","","","0.1039","0.1117","","","","","","1.059","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084606","11.6913","0.0004","11.8705","0.0004","12.0874","0.0004","62.396","0.003","77.005","0.003","69.734","0.003","1390.35","0.09","110","1","110","1","","","","","","","","5","P 1","P 1","1","","","","- C60 H86 Fe2 O8 P2 -","- C60 H86 Fe2 O8 P2 -","- C60 H86 Fe2 O8 P2 -","1","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","","","0.71073","MoKα","","0.0451","0.0425","","","0.1058","0.1081","","","","","","1.043","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4085056","10.4966","0.0009","11.5916","0.001","13.3351","0.0012","71.117","0.002","87.091","0.002","67.502","0.002","1413.4","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C52 H70 B5 F15 Zr3 -","- C52 H70 B5 F15 Zr3 -","- C52 H70 B5 F15 Zr3 -","1","1","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.0338","0.0322","","","0.0674","0.0685","","","","","","1.014","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085149","12.4737","0.0005","13.772","0.0008","14.5622","0.0006","75.635","0.004","70.978","0.004","71.884","0.005","2217.6","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C44.5 H68 K N O6 Si -","- C44.5 H68 K N O6 Si -","- C89 H136 K2 N2 O12 Si2 -","2","2","","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","","0.0907","0.0569","","","0.1029","0.1152","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085635","10.2181","0.0011","11.8516","0.0012","15.2131","0.0016","76.187","0.002","73.619","0.003","80.858","0.003","1708.1","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H31 Ag Cl7 N3 -","- C32 H31 Ag Cl7 N3 -","- C64 H62 Ag2 Cl14 N6 -","2","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0737","0.0549","","","0.1368","0.1519","","","","","","1.022","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085636","10.4494","0.0008","11.8878","0.0009","15.2466","0.0011","75.831","0.003","72.202","0.003","80.363","0.003","1739.6","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C64 H60 Ag2 Cl14 F2 N6 -","- C64 H60 Ag2 Cl14 F2 N6 -","- C64 H60 Ag2 Cl14 F2 N6 -","1","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0852","0.0591","","","0.1431","0.1599","","","","","","1.019","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085637","11.4803","0.0005","12.0702","0.0006","13.5796","0.0006","70.31","0.002","82.594","0.002","63.025","0.002","1578.3","0.13","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C64 H50 Ag2 Cl6 F12 N6 -","- C64 H50 Ag2 Cl6 F12 N6 -","- C64 H50 Ag2 Cl6 F12 N6 -","1","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0509","0.0431","","","0.1016","0.1068","","","","","","1.027","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085704","9.115","0.003","9.309","0.004","17.363","0.008","83.17","0.05","76.35","0.04","70.69","0.04","1349.8","1","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C56 H70 B2 O3 P2 -","- C56 H70 B2 O3 P2 -","- C56 H70 B2 O3 P2 -","1","1","","Czauderna, Christine F.; Jarvis, Amanda G.; Heutz, Frank J. L.; Cordes, David B.; Slawin, Alexandra M. Z.; van der Vlugt, Jarl Ivar; Kamer, Paul C. J.","Chiral Wide-Bite-Angle Diphosphine Ligands: Synthesis, Coordination Chemistry, and Application in Pd-Catalyzed Allylic Alkylation","Organometallics","2015","34","9","1608","","10.1021/om5008055","","","0.71075","MoKα","","0.1418","0.0816","","","0.1751","0.2154","","","","","","1.062","","","","has coordinates","140250","2020-10-21","18:00:00",""
"4085777","9.76176","0.00014","10.73671","0.00017","15.8354","0.0002","90.6518","0.0012","107.775","0.0012","102.129","0.0013","1540.09","0.04","160","2","160","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H39 N O2 S2 -","- C34 H39 N O2 S2 -","- C68 H78 N2 O4 S4 -","2","2","","Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano","Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination","Organometallics","2015","34","10","1925","","10.1021/acs.organomet.5b00178","","","0.71073","MoKα","","0.0386","0.034","","","0.0869","0.091","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4085779","12.4011","0.0008","13.7958","0.0008","16.224","0.0009","73.207","0.004","89.745","0.005","72.852","0.005","2529.3","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H60 Cl3 N O Rh S2 -","- C55 H60 Cl3 N O Rh S2 -","- C110 H120 Cl6 N2 O2 Rh2 S4 -","2","2","","Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano","Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination","Organometallics","2015","34","10","1925","","10.1021/acs.organomet.5b00178","","","0.71073","MoKα","","0.0352","0.0263","","","0.0549","0.0583","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085915","10.333","0.009","11.314","0.006","16.307","0.013","71.68","0.05","88.83","0.04","76.54","0.04","1757","2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C84 H77 Co2 N2 O6.5 Pd2 -","- C84 H77 Co2 N2 O6.5 Pd2 -","- C84 H77 Co2 N2 O6.5 Pd2 -","1","1","","Cassar, Doyle J.; Roghzai, Hemin; Villemin, Didier; Horton, Peter N.; Coles, Simon J.; Richards, Christopher J.","Chirality Control in Planar Chiral Cobalt Oxazoline Palladacycles","Organometallics","2015","34","12","2953","","10.1021/acs.organomet.5b00282","","","0.71075","MoKα","","0.0227","0.0221","","","0.0529","0.0533","","","","","","1.033","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086548","7.3391","0.0003","9.4771","0.0003","9.9193","0.0003","102.177","0.0012","103.396","0.0013","105.969","0.0012","616.8","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H42 B Fe N -","- C26 H42 B Fe N -","- C26 H42 B Fe N -","1","1","","Bhattacharjee, Hridaynath; Martell, Jonathon D.; Khozeimeh Sarbisheh, Elaheh; Sadeh, Saeid; Quail, J. Wilson; Müller, Jens","Insight into the Formation of Highly Strained [1]Ferrocenophanes with Boron in Bridging Position","Organometallics","2016","35","12","2156","","10.1021/acs.organomet.6b00388","","","0.71073","MoKα","","0.0363","0.0312","","","0.0634","0.0656","","","","","","0.999","","","","has coordinates,has disorder","184944","2020-10-21","18:00:00",""
"4087142","10.0993","0.0011","14.0965","0.0015","19.409","0.002","103.571","0.003","97.882","0.003","97.018","0.003","2626.2","0.5","100","2","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C108 H126 Cl12 N3 P3 Ru3 -","- C108.003 H126.006 Cl12.006 N3 P3 Ru3 -","- C108.003 H126.006 Cl12.006 N3 P3 Ru3 -","1","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.039","0.0334","","","0.0814","0.0851","","","","","","1.032","","","","has coordinates,has disorder","193343","2020-10-21","18:00:00",""
"4087249","10.4199","0.0013","11.7779","0.0015","14.0341","0.0018","69.512","0.002","80.197","0.002","84.859","0.002","1589","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H35 Co N2 O -","- C42 H35 Co N2 O -","- C84 H70 Co2 N4 O2 -","2","2","","Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J.","Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation","Organometallics","2017","","","","","10.1021/acs.organomet.7b00143","","","0.71073","MoKα","","0.0599","0.0498","","","0.1092","0.1155","","","","","","1.022","","","","has coordinates","195635","2020-10-21","18:00:00",""
"4087547","8.0569","0.0003","9.0206","0.0003","22.9236","0.0008","84.576","0.002","87.844","0.002","76.751","0.002","1614.22","0.1","150","2","150","2","","","","","","","","9","P 1","P 1","1","","","","- C33 H27 Cl2 F6 N O Rh S Sb -","- C33 H27 Cl2 F6 N O Rh S Sb -","- C66 H54 Cl4 F12 N2 O2 Rh2 S2 Sb2 -","2","2","","Baker, Robert W.; Turner, Peter; Luck, Ian J.","Electronic Control of Metal-Centered Chirality in η5:κS-Indenyl-Sulfanyl and -Sulfinyl Rhodacycles of 2-Phenylpyridine","Organometallics","2015","34","9","1751","","10.1021/acs.organomet.5b00255","","","0.71073","MoKα","","0.0363","0.0325","","","0.081","0.099","","","","","","1.188","","","","has coordinates","236846","2020-10-21","18:00:00",""
"4087766","8.7467","0.0005","10.6016","0.0006","14.2035","0.0009","79.599","0.003","83.726","0.003","76.827","0.003","1258.15","0.13","115","","115","","","","","","","","","7","P 1","P 1","1","","","","- C51 H44 Cl6 O2 P2 Pd2 S2 -","- C51 H44 Cl6 O2 P2 Pd2 S2 -","- C51 H44 Cl6 O2 P2 Pd2 S2 -","1","1","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.064","0.0432","","","0.0697","0.0765","","","","","","1.027","","","","has coordinates,has disorder","236994","2020-10-21","18:00:00",""
"4087892","10.1288","0.0002","10.6698","0.0002","10.8789","0.0003","109.302","0.001","98.413","0.001","117.491","0.001","919.46","0.04","103","2","103","2","","","","","","","","8","P 1","P 1","1","","","","- C40 H42 Cl2 N O5 P Pt S -","- C40 H42 Cl2 N O5 P Pt S -","- C40 H42 Cl2 N O5 P Pt S -","1","1","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0179","0.0176","","","0.0439","0.0614","","","","","","0.995","","","","has coordinates","237094","2020-10-21","18:00:00",""
"4087906","9.3334","0.001","9.4708","0.001","11.3733","0.0012","104.439","0.002","108.41","0.002","107.365","0.002","842.33","0.16","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C35 H49 Cl N O P Pd -","- C35 H49 Cl N O P Pd -","- C35 H49 Cl N O P Pd -","1","1","","Gorunova, Olga N.; Novitskiy, Ivan M.; Grishin, Yuri K.; Gloriozov, Igor P.; Roznyatovsky, Vitaly A.; Khrustalev, Victor N.; Kochetkov, Konstantin A.; Dunina, Valery V.","Determination of the Absolute Configuration of CN-Palladacycles by 31P{1H} NMR Spectroscopy Using (1R,2S,5R)-Menthyloxydiphenylphosphine as the Chiral Derivatizing Agent: Efficient Chirality Transfer in Phosphinite Adducts","Organometallics","2016","35","2","75","","10.1021/acs.organomet.5b00706","","","0.71073","MoKα","","0.0545","0.0427","","","0.0667","0.0708","","","","","","1","","","","has coordinates","237112","2020-10-21","18:00:00",""
"4088285","12.3276","0.0009","13.6052","0.0011","20.4293","0.0016","93.485","0.004","99.956","0.004","96.649","0.004","3340.6","0.5","123","","123","","","","","","","","","7","P 1","P 1","1","","","","- C70 H65 B F24 Ir N3 O -","- C70 H65 B F24 Ir N3 O -","- C140 H130 B2 F48 Ir2 N6 O2 -","2","2","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","0.71073","MoKα","","0.0561","0.0412","","0.0674","0.0416","0.0401","","","","","","1.0987","","","","has coordinates,has disorder","237441","2020-10-21","18:00:00",""
"4088420","8.846","0.003","11.295","0.004","12.422","0.004","72.46","0.007","73.915","0.006","70.961","0.007","1096.5","0.6","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C47.72 H46 Br2 Cu2 Fe2 N2 O2 -","- C47.72 H46 Br2 Cu2 Fe2 N2 O2 -","- C47.72 H46 Br2 Cu2 Fe2 N2 O2 -","1","1","","Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand","Organometallics","2016","35","8","1086","","10.1021/acs.organomet.6b00069","","","0.71073","MoKα","","0.107","0.0614","","","0.1177","0.1356","","","","","","0.96","","","","has coordinates","237553","2020-10-21","18:00:00",""
"4088638","7.6712","0.0002","10.7861","0.0002","10.8306","0.0002","64.332","0.001","83.343","0.001","77.207","0.001","787.46","0.03","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H36 Fe2 O2 S2 Sn -","- C36 H36 Fe2 O2 S2 Sn -","- C36 H36 Fe2 O2 S2 Sn -","1","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","","0.025","0.025","","","0.06","0.06","","","","","","1.04","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4088823","8.191","0.005","9.559","0.007","15.583","0.012","97.767","0.013","99.295","0.016","105.53","0.02","1139.5","1.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H32 Fe N2 -","- C27 H32 Fe N2 -","- C54 H64 Fe2 N4 -","2","2","","Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias","Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization","Organometallics","2016","35","17","2923","","10.1021/acs.organomet.6b00474","","","0.71073","MoKα","","0.1033","0.076","","","0.1767","0.1926","","","","","","0.991","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4088877","10.8692","0.0002","14.5825","0.0003","15.6131","0.0003","93.542","0.002","106.261","0.002","107.213","0.002","2240.87","0.09","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C98 H124 Cl2 N8 Y2 -","- C98 H124 Cl2 N8 Y2 -","- C98 H124 Cl2 N8 Y2 -","1","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0267","0.0234","","","0.0564","0.0576","","","","","","1.019","","","","has coordinates,has disorder","237868","2020-10-21","18:00:00",""
"4088878","10.9693","0.0002","14.7087","0.0002","15.8593","0.0002","93.188","0.001","106.459","0.001","107.344","0.001","2314.79","0.06","205","","205","","","","","","","","","5","P 1","P 1","1","","","","- C98 H124 Cl2 N8 Nd2 -","- C98 H124 Cl2 N8 Nd2 -","- C98 H124 Cl2 N8 Nd2 -","1","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0189","0.0181","","","0.0465","0.0467","","","","","","1.006","","","","has coordinates,has disorder","237868","2020-10-21","18:00:00",""
"4088879","10.9769","0.0002","14.6162","0.0002","15.5983","0.0003","93.334","0.001","106.58","0.001","107.37","0.001","2260.88","0.07","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C98 H124 Cl2 Lu2 N8 -","- C98 H124 Cl2 Lu2 N8 -","- C98 H124 Cl2 Lu2 N8 -","1","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0249","0.0235","","","0.06","0.0607","","","","","","1.03","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4089107","9.5717","0.0006","13.1857","0.0008","15.5566","0.0009","100.365","0.002","95.972","0.002","107.632","0.002","1814.11","0.19","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C38 H43 Br2 Fe2 N P2 -","- C38 H43 Br2 Fe2 N P2 -","- C76 H86 Br4 Fe4 N2 P4 -","2","2","","Zirakzadeh, Afrooz; Kirchner, Karl; Roller, Alexander; Stöger, Berthold; Widhalm, Michael; Morris, Robert H.","Iron(II) Complexes Containing Chiral Unsymmetrical PNP′ Pincer Ligands: Synthesis and Application in Asymmetric Hydrogenations","Organometallics","2016","35","21","3781","","10.1021/acs.organomet.6b00711","","","0.71073","MoKα","","0.0383","0.028","","","0.0494","0.0519","","","","","","0.893","","","","has coordinates","237990","2020-10-21","18:00:00",""
"4089347","13.3185","0.0009","13.5907","0.0011","20.569","0.0019","81.075","0.004","88.287","0.005","63.849","0.004","3298.5","0.5","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C60 H60 B2 F8 N4 P2 Pd2 S2 -","- C60 H60 B2 F8 N4 P2 Pd2 S2 -","- C120 H120 B4 F16 N8 P4 Pd4 S4 -","2","2","","Cabeza, Javier A.; del Río, Ignacio; Sánchez-Vega, M. Gabriela; Suárez, Marta","Methyl Levamisolium Triflate as a Precursor to a Chiral Bifunctional N-Heterocyclic Carbene-Thiolate Ligand: Palladium(II) Complexes†","Organometallics","2006","25","7","1831","","10.1021/om060042h","","","1.5418","CuKα","","0.139","0.1281","","","0.3591","0.4123","","","","","","1.017","","","","has coordinates","243615","2020-10-21","18:00:00",""
"4089357","10.6356","0.0019","11.495","0.002","12.1608","0.0019","64.897","0.006","75.099","0.007","84.534","0.007","1300.9","0.4","293.1","","","","","","","","","","","9","P 1","P 1","1","","","","- C48 H56 Cl2 I2 Ir2 Mo O P2 S2 -","- C48 H54 Cl2 I2 Ir2 Mo O P2 S2 -","- C48 H54 Cl2 I2 Ir2 Mo O P2 S2 -","1","1","","Kajitani, Hidenobu; Seino, Hidetake; Mizobe, Yasushi","Synthesis of a Sulfido-Capped Trinuclear Cluster [{(η5-C5Me5)Ir}2{Mo(CO)3}(μ3-S)2] and Its Reactions at the Molybdenum Site Forming a Series of Ir2MoS2Clusters","Organometallics","2007","26","14","3499","","10.1021/om070190n","","","0.7107","MoKα","","","0.0334","","","","0.0954","","","","","","1.071","","","","has coordinates","243617","2020-10-21","18:00:00",""
"4089421","9.3042","0.0004","10.4077","0.0004","12.3897","0.0005","93.48","","110.08","","116.45","","975.78","0.07","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H28 O3 P2 Pd -","- C17 H28 O3 P2 Pd -","- C34 H56 O6 P4 Pd2 -","2","2","","Choi, Jun-Chul; Shiraishi, Kouichi; Takenaka, Yasumasa; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis and Reactivity of Five-Membered Palladalactones from Arylallenes and Carbon Dioxide: Relevance to Catalytic Lactone Synthesis","Organometallics","2013","32","11","3411","","10.1021/om400089n","","","0.71073","MoKα","","0.0149","0.0139","","","0.034","0.0347","","","","","","0.965","","","","has coordinates","243637","2020-10-21","18:00:00",""
"4089543","9.002","0.004","10.248","0.004","10.991","0.004","114.311","0.015","97.232","0.015","106.991","0.016","847.7","0.6","100","","99.99","","","","","","","","","5","P 1","P 1","1","","","","- C40 H48 Li O4 Si -","- C40 H48 Li O4 Si -","- C40 H48 Li O4 Si -","1","1","","Zabula, Alexander V.; Rogachev, Andrey Yu.; Guzei, Ilia A.; West, Robert","Silicon in a Negatively Charged Shell: Anions of Spirosilabifluorene","Organometallics","2013","32","13","3760","","10.1021/om400419a","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0437","","","0.1046","0.1097","","","","","","1.019","","","","has coordinates,has disorder","243677","2020-10-21","18:00:00",""
"4089695","13.7651","0.0015","13.8406","0.0015","21.602","0.002","75.5109","0.0017","81.1199","0.0017","60.5631","0.0015","3467.8","0.6","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C49 H111 Cl2 Eu O16 Si4 -","- C49 H111 Cl2 Eu O16 Si4 -","- C98 H222 Cl4 Eu2 O32 Si8 -","2","2","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","K-L~3~","0.0498","0.0413","","","0.0967","0.1012","","","","","","1.041","","","","has coordinates,has disorder","254024","2020-10-21","18:00:00",""
"4089703","13.7858","0.0013","14.6169","0.0013","17.5171","0.0016","97.9411","0.0012","91.888","0.0013","99.4943","0.0013","3442.4","0.5","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C49 H111 Cl2 O16 Si4 Yb -","- C49 H111 Cl2 O16 Si4 Yb -","- C98 H222 Cl4 O32 Si8 Yb2 -","2","2","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","","0.71073","MoKα","","0.027","0.024","","","0.0575","0.0596","","","","","","1.074","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4100115","6.3918","0.0007","7.502","0.0009","17.941","0.002","83.197","0.014","86.638","0.014","85.548","0.014","850.6","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(R)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100116","6.3962","0.0007","7.4884","0.0009","17.94","0.002","83.13","0.014","86.579","0.014","85.52","0.014","849.41","0.17","293","2","293","2","","","","","","","","7","P 1","P 1","1","2 EDT-TTF-methyloxazoline(S)/1 AsF6","","","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","- C24 H22 As F6 N2 O2 S12 -","1","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0503884","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100235","9.792","0.0005","11.3547","0.0005","21.4063","0.0011","88.0654","0.0016","79.5006","0.0018","89.938","0.004","2338.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C43.5 H60 F N2 O7 P -","- C43 H38 F N2 O7 P -","- C86 H76 F2 N4 O14 P2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100260","9.4625","0.0008","9.9173","0.0007","16.7418","0.0008","99.58","0.005","92.874","0.005","101.063","0.006","1514.91","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","- C65 H76 N2 O2 Ru S4 Si2 -","1","1","","Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.","Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"4100391","13.0062","0.0016","13.7917","0.0017","25.015","0.003","89.6","0.002","75.968","0.002","89.119","0.002","4352.7","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C78 H152 B3 F12 N4 O2 Rh -","- C78 H152 B3 F12 N4 O2 Rh -","- C156 H304 B6 F24 N8 O4 Rh2 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100535","10.1218","0.0016","17.502","0.003","18.76","0.003","108.138","0.003","98.883","0.003","106.553","0.003","2917.5","0.8","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H70 N8 O12 S4 -","- C50 H70 N8 O12 S4 -","- C100 H140 N16 O24 S8 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100565","8.461","0.001","26.688","0.004","26.69","0.004","60.028","0.015","89.981","0.017","89.782","0.017","5220.8","1.3","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H63 N15 Na4.25 O44.5 P3 U3 -","- C30 H30 N15 Na4.26 O44.215 P3 U3 -","- C60 H60 N30 Na8.52 O88.43 P6 U6 -","2","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","06:00:48",""
"4100589","4.8551","0.0002","13.333","0.0005","15.6798","0.0008","97.241","0.002","96.07","0.002","95.031","0.002","996","0.08","150","","","","","","","","","","","5","P 1","P 1","1","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C46 H48 Br2 N2 O2 -","2","2","","","Crystal and molecular structure of ca030205","Journal of the American Chemical Society","2005","","","","","10.1021/ja052411r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100752","17.435","0.002","19.005","0.002","20.564","0.002","102.42","0.01","100.449","0.01","94.71","0.01","6491.9","1.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C261 H166 N34 O36 -","- C279 H262 N33 O35 -","- C279 H262 N33 O35 -","1","1","","Hua Jiang; Christel Dolain; Jean-Michel Léger; Heinz Gornitzka; Ivan Huc","Switching of Chiral Induction in Helical Aromatic Oligoamides Using Solid State-Solution State Equilibrium","Journal of the American Chemical Society","2004","126","","1034","1035","10.1021/ja039511m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100913","8.4098","0.0013","9.8271","0.0015","14.997","0.002","101.406","0.003","90.749","0.003","114.735","0.003","1097.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H9 Cl3 N O -","- C9 Cl3 N O -","- C36 Cl12 N4 O4 -","4","4","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101040","5.9391","0.0003","8.0487","0.0004","22.2075","0.0016","92.264","0.002","92.001","0.002","90.067","0.004","1060.08","0.11","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056474l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101168","6.106","0.004","13.973","0.006","16.979","0.008","81.21","0.02","87.89","0.02","76.99","0.02","1394","1","123.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C22 H20 Cl O P -","- C22 H20 Cl O P -","- C66 H60 Cl3 O3 P3 -","3","3","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101575","9.992","0.003","11.664","0.003","11.986","0.003","67.826","0.004","66.443","0.004","71.059","0.004","1160.7","0.5","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H25 Br2 N O3 -","- C25 H25 Br2 N O3 -","- C50 H50 Br4 N2 O6 -","2","2","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0811","0.0572","","","0.1312","0.1428","","","","","","0.983","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101578","4.8131","0.0006","6.4288","0.0008","7.0223","0.0009","83.369","0.002","71.623","0.002","73.364","0.002","197.5","0.04","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","1","1","","Pan, Shilie; Smit, Jared P; Watkins, Byron; Marvel, Michael R; Stern, Charlotte L; Poeppelmeier, Kenneth R","Synthesis, crystal structure, and nonlinear optical properties of Li6CuB4O10: a congruently melting compound with isolated [CuB4O10]6- units.","Journal of the American Chemical Society","2006","128","35","11631","11634","10.1021/ja0633114","","","0.71073","MoKα","","0.0625","0.0546","","","0.1369","0.1471","","","","","","1.084","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101668","7.2377","0.0018","10.127","0.003","15.948","0.004","103.179","0.003","96.629","0.003","109.845","0.003","1046.6","0.5","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","2","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0365","0.0279","","","0.0604","0.0639","","","","","","1.024","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101867","5.543","0.0001","8.2574","0.0001","10.6426","0.0002","71.438","0.001","75.465","0.001","89.918","0.001","445.363","0.013","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H19 N2 O -","- C24 H20 N2 O -","- C24 H20 N2 O -","1","1","","Jonathan A. Brekan; Troy E. Reynolds; Karl A. Scheidt","Enantioselective Synthesis of Substituted Indanones from Silyloxyallenes","Journal of the American Chemical Society","2010","132","","1472","1473","10.1021/ja909669e","","","0.71073","MoKα","","0.0383","0.0369","","","0.1007","0.102","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102048","5.55073","","5.58029","","5.57706","","92.72","","90.8322","","91.516","","172.471","","","","","","","","","","","","","3","P 1","P 1","1","","","","- As Li Se2 -","- As Li Se2 -","- As2 Li2 Se4 -","2","2","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","","","","","","","","","","","","","","","","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102095","9.795","0.003","10.039","0.003","10.579","0.003","104.965","0.004","103.246","0.005","117.219","0.004","817.4","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H32 Cu I O P2 -","- C39 H32 Cu I O P2 -","- C39 H32 Cu I O P2 -","1","1","","Jinkun Huang; Johann Chan; Ying Chen; Christopher J. Borths; Kyle D. Baucom; Robert D. Larsen; Margaret M. Faul","A Highly Efficient Palladium/Copper Cocatalytic System for Direct Arylation of Heteroarenes: An Unexpected Effect of Cu(Xantphos)I","Journal of the American Chemical Society","2010","132","","3674","3675","10.1021/ja100354j","","x-ray","0.71073","MoKα","","0.0311","0.0296","","","0.075","0.0763","","","","","","1.075","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102123","7.6079","0.0014","10.0378","0.0018","10.3899","0.0019","68.164","0.003","83.564","0.003","83.013","0.003","729.1","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","Camphanic Acid Ester ent-14","","","- C33 H42 O7 -","- C33 H42 O7 -","- C33 H42 O7 -","1","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0395","0.0384","","","0.0992","0.1002","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102234","8.5337","0.0009","10.3702","0.0006","13.3899","0.0012","69.135","0.008","82.489","0.01","67.433","0.008","1022.44","0.17","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 Br N O2 -","- C24 H24 Br N O2 -","- C48 H48 Br2 N2 O4 -","2","2","","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","","","0.71073","MoKα","","0.0441","0.0408","","","0.0986","0.1036","","","","","","1.096","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102274","9.686","0.0012","11.3379","0.0015","24.442","0.003","87.917","0.003","82.601","0.003","89.81","0.004","2660.1","0.6","93.1","","93.1","","","","","","","","","7","P 1","P 1","1","","","","- C109 H106.7 Cu2 F12 N10 O16.35 S4 -","- C109 H98 Cu2 F12 N10 O16.35 S4 -","- C109 H98 Cu2 F12 N10 O16.35 S4 -","1","1","","Takayoshi Arai; Asami Mishiro; Naota Yokoyama; Kuniko Suzuki; Hiroyasu Sato","Chiral Bis(imidazolidine)pyridine-Cu(OTf)2: Catalytic Asymmetric Endo-Selective [3 + 2] Cycloaddition of Imino Esters with Nitroalkenes","Journal of the American Chemical Society","2010","132","","5338","5339","10.1021/ja100265j","","","0.71075","MoKα","","","0.0558","","","","0.1581","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102275","3.5979","0.0019","9.064","0.005","14.452","0.008","75.267","0.013","83.602","0.009","87.354","0.009","452.9","0.4","","","298","3","","","","","","","","4","P 1","P 1","1","","","","- P Rb S6 Zr -","- P Rb S6 Zr -","- P2 Rb2 S12 Zr2 -","2","2","","Santanu Banerjee; Jodi M. Szarko; Benjamin D. Yuhas; Christos D. Malliakas; Lin X. Chen; Mercouri G. Kanatzidis","Room Temperature Light Emission from the Low-Dimensional Semiconductors AZrPS6 (A = K, Rb, Cs)","Journal of the American Chemical Society","2010","132","","5348","5350","10.1021/ja1004653","","","0.4428","synchrotron","","0.0949","0.0835","","","0.1786","0.1871","","","","1.71","1.71","1.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102466","9.9461","0.0019","12.038","0.002","14.418","0.003","106.355","0.003","103.637","0.003","91.494","0.002","1601.8","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H97 N2 O41.5 -","- C48 H97 N2 O41.5 -","- C48 H97 N2 O41.5 -","1","1","","Shenshen Hu; Jiuyuan Li; Junfeng Xiang; Jie Pan; Sanzhong Luo; Jin-Pei Cheng","Asymmetric Supramolecular Primary Amine Catalysis in Aqueous Buffer: Connections of Selective Recognition and Asymmetric Catalysis","Journal of the American Chemical Society","2010","132","","7216","7228","10.1021/ja102819g","","","0.71073","MoKα","","0.0522","0.0504","","","0.1282","0.13","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102632","15.346","0.004","15.422","0.004","17.595","0.004","113.517","0.003","98.507","0.003","103.154","0.003","3582.7","1.6","110","2","110","2","","","","","","","","7","P 1","P 1","1","1-CyD","","","- C98 H204 Fe2 N Na O107 S3 -","- C98 H145 Fe2 N Na O104.84 S3 -","- C98 H145 Fe2 N Na O104.84 S3 -","1","1","","Michael L. Singleton; Joseph H. Reibenspies; Marcetta Y. Darensbourg","A Cyclodextrin Host/Guest Approach to a Hydrogenase Active Site Biomimetic Cavity","Journal of the American Chemical Society","2010","132","","8870","8871","10.1021/ja103774j","","","0.71073","MoKα","","0.1277","0.0832","","","0.1797","0.2086","","","","","","0.999","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102656","5.2508","0.0002","6.6452","0.0003","18.5082","0.0009","84.069","0.002","86.195","0.002","69.564","0.003","601.6","0.05","120","2","120","2","","","","","","","","3","P 1","P 1","1","","","","- C14 H16 S8 -","- C14 H16 S8 -","- C14 H16 S8 -","1","1","","José R. Galán-Mascarós; Eugenio Coronado; Paul A. Goddard; John Singleton; Amalia I. Coldea; John D. Wallis; Simon J. Coles; Antonio Alberola","A Chiral Ferromagnetic Molecular Metal","Journal of the American Chemical Society","2010","132","","9271","9273","10.1021/ja103147k","","","0.71073","MoKα","","0.0731","0.0647","","","0.1746","0.1826","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102662","10.4379","0.0004","10.592","0.0004","17.3032","0.0007","88.91","0.003","89.721","0.003","60.559","0.002","1665.65","0.12","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H54 F3 N4 Na Zn -","- C27 H54 F3 N4 Na Zn -","- C54 H108 F6 N8 Na2 Zn2 -","2","2","","David R. Armstrong; Victoria L. Blair; William Clegg; Sophie H. Dale; Joaquin Garcia-Alvarez; Gordon W. Honeyman; Eva Hevia; Robert E. Mulvey; Luca Russo","Structural Basis for Regioisomerization in the Alkali-Metal-Mediated Zincation (AMMZn) of Trifluoromethyl Benzene by Isolation of Kinetic and Thermodynamic Intermediates","Journal of the American Chemical Society","2010","132","","9480","9487","10.1021/ja1038598","","","0.71073","MoKα","","0.1003","0.0712","","","0.1874","0.2021","","","","","","1.118","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102781","11.3495","0.0005","11.5304","0.0004","13.7315","0.0006","93.9917","0.0013","91.1022","0.0015","103.075","0.0013","1745","0.12","173.1","","173.1","","","","","","","","","6","P 1","P 1","1","","","","- C76 H60 Cl6 Cu2 O4 P4 -","- C76 H60 Cl6 Cu2 O4 P4 -","- C76 H60 Cl6 Cu2 O4 P4 -","1","1","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0314","","","","0.0706","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102813","6.2174","0.0003","9.1621","0.0005","10.3772","0.0006","68.885","0.002","72.909","0.001","71.408","0.002","511.84","0.05","100","2","100","2","","","","","","","syntheszed","4","P 1","P 1","1","","","","- C22 H29 B O4 -","- C22 H29 B O4 -","- C22 H29 B O4 -","1","1","","Jeannette M. O'Brien; Kang-sang Lee; Amir H. Hoveyda","Enantioselective Synthesis of Boron-Substituted Quaternary Carbons by NHC-Cu-Catalyzed Boronate Conjugate Additions to Unsaturated Carboxylic Esters, Ketones, or Thioesters","Journal of the American Chemical Society","2010","132","","10630","10633","10.1021/ja104777u","","x-ray","1.54178","CuKα","","0.0361","0.0361","","","0.0857","0.0857","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102825","9.7378","0.0012","16.16","0.002","19.357","0.002","74.762","0.004","78.464","0.004","87.099","0.004","2879.6","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C101 H180 F12 Mn2 N4 O12 Sb2 -","- C101 H180 F12 Mn2 N4 O12 Sb2 -","- C101 H180 F12 Mn2 N4 O12 Sb2 -","1","1","","M. Kevin Brown; Megan M. Blewett; James R. Colombe; E. J. Corey","Mechanism of the Enantioselective Oxidation of Racemic Secondary Alcohols Catalyzed by Chiral Mn(III)-Salen Complexes","Journal of the American Chemical Society","2010","132","","11165","11170","10.1021/ja103103d","","","0.71073","MoKα","","0.0374","0.0335","","","0.0701","0.0719","","","","","","1.097","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4103002","6.0927","0.0002","7.3057","0.0003","21.0808","0.0008","80.027","0.002","86.454","0.002","67.354","0.002","852.89","0.06","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H34 O -","- C20 H34 O -","- C40 H68 O2 -","2","2","","Yajing Lian; Laura C. Miller; Stephen Born; Richmond Sarpong; Huw M. L. Davies","Catalyst-Controlled Formal [4 + 3] Cycloaddition Applied to the Total Synthesis of (+)-Barekoxide and (-)-Barekol","Journal of the American Chemical Society","2010","132","","12422","12425","10.1021/ja103916t","","","1.54178","CuKα","","0.039","0.0389","","","0.1081","0.1082","","","","","","1.04","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103073","8.27048","0.00015","11.4124","0.0002","14.4475","0.0003","69.8042","0.001","84.6144","0.0011","88.0854","0.0011","1274.15","0.04","123.1","","123.1","","","","","","","","","5","P 1","P 1","1","","","","- C28 H35 N O2 Si -","- C28 H35 N O2 Si -","- C56 H70 N2 O4 Si2 -","2","2","","Takahiro Nishimura; Hiroki Makino; Makoto Nagaosa; Tamio Hayashi","Rhodium-Catalyzed Enantioselective 1,6-Addition of Arylboronic Acids to Enynamides: Asymmetric Synthesis of Axially Chiral Allenylsilanes","Journal of the American Chemical Society","2010","132","","12865","12867","10.1021/ja1066509","","","1.54187","CuKα","","","0.0576","","","","0.2049","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103112","10.3592","0.0002","10.4724","0.0002","11.3705","0.0001","102.787","0.001","93.846","0.001","90.24","","1200.01","0.03","84","2","84","2","","","","","","","","8","P 1","P 1","1","","","","- C49 H51 F6 Ir N O P3 S3 -","- C49 H51 F6 Ir N O P3 S3 -","- C49 H51 F6 Ir N O P3 S3 -","1","1","","George R. Clark; Lauren A. Ferguson; Amy E. McIntosh; Tilo Söhnel; L. James Wright","Functionalization of Metallabenzenes through Nucleophilic Aromatic Substitution of Hydrogen","Journal of the American Chemical Society","2010","132","","13443","13452","10.1021/ja105239t","","","0.71073","MoKα","","0.064","0.0623","","","0.152","0.1542","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103169","9.491","0.003","9.624","0.003","11.899","0.004","94.225","0.005","93.287","0.005","112.31","0.005","998.5","0.6","105","2","105","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H60 N4 O7 -","- C40 H60 N4 O7 -","- C40 H60 N4 O7 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.065","0.0513","","","0.1215","0.1294","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103172","9.4582","0.0001","15.6589","0.0003","23.444","0.0004","105.277","0.001","97.885","0.001","94.084","0.001","3296.8","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C62 H94 Br N7 O12 -","- C62 H94 Br N7 O12 -","- C124 H188 Br2 N14 O24 -","2","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","1.54178","CuKα","","0.0704","0.0689","","","0.1916","0.194","","","","","","0.987","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103284","7.1426","0.0009","12.7521","0.0015","13.1674","0.0016","91.845","0.002","104.765","0.002","104.145","0.002","1118.8","0.2","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N12 O12 S4 -","- C36 H46 N12 O12 S4 -","- C36 H46 N12 O12 S4 -","1","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","","0.0463","0.0374","","","0.1002","0.1095","","","","","","1.04","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103286","7.1367","0.0006","12.4838","0.001","12.6842","0.0011","83.869","0.002","77.676","0.002","85.366","0.002","1095.76","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H44 N12 O12 S6 -","- C34 H44 N12 O12 S6 -","- C34 H44 N12 O12 S6 -","1","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","","","0.4428","synchrotron","","0.08","0.05","","","0.1327","0.1557","","","","","","1.187","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103289","7.1097","0.0005","12.6139","0.001","13.8091","0.0011","110.979","0.001","101.82","0.001","93.951","0.001","1118.01","0.15","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N14 O12 S4 -","- C36 H46 N14 O12 S4 -","- C36 H46 N14 O12 S4 -","1","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","","0.0407","0.0308","","","0.0911","0.1005","","","","","","1.052","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103298","7.1652","0.0005","12.5807","0.001","25.0454","0.0019","94.26","0.001","91.019","0.001","91.299","0.001","2250.4","0.3","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H50 N12 O12 S4 -","- C38 H50 N12 O12 S4 -","- C76 H100 N24 O24 S8 -","2","2","","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","","0.0695","0.0459","","","0.1248","0.1433","","","","","","1.045","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103326","8.4848","0.0005","8.6172","0.0005","10.4326","0.0007","79.5984","0.0009","88.5172","0.001","86.6206","0.0009","748.85","0.08","150","2","150","2","","","","","","","","5","P 1","P 1","1","Pd-complex","Pd-complex","","- C24 H39 N3 O14 Pd -","- C24 H39 N3 O14 Pd -","- C24 H39 N3 O14 Pd -","1","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0208","0.0208","","","0.0492","0.0492","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4103450","7.1255","0.0006","7.13","0.0006","15.5209","0.0009","90.315","0.005","90.117","0.005","90.006","0.004","788.52","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C0 H4 Be K O8 Si4 -","- C1.16667 Be0.666667 K1.11 O11.2333 Si4 -","- C3.5 Be2 K3.33 O33.7 Si12 -","3","3","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.1184","0.0981","","","","0.1509","","","","","","1.115","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103471","14.1442","0.001","15.7549","0.0011","18.3915","0.0013","84.767","0.001","79.563","0.001","70.997","0.001","3808.6","0.5","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C157 H153 B6 Ba2 N13 O35 -","- C157 H153 B6 Ba2 N13 O35 -","- C157 H153 B6 Ba2 N13 O35 -","1","1","","Hiroshi Danjo; Kadzuya Hirata; Masanori Noda; Susumu Uchiyama; Kiichi Fukui; Masatoshi Kawahata; Isao Azumaya; Kentaro Yamaguchi; Toshifumi Miyazawa","Assembly Modulation by Adjusting Countercharges of Heterobimetallic Supramolecular Polymers Composed of Tris(spiroborate) Twin Bowls","Journal of the American Chemical Society","2010","132","","15556","15558","10.1021/ja1084964","","","0.71073","MoKα","","0.0653","0.0605","","","0.1792","0.1867","","","","","","1.034","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103557","9.19214","0.00018","11.003","0.0002","15.9731","0.0003","87.8746","0.0009","77.9145","0.0009","89.7102","0.0008","1578.64","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1","P 1","1","TP-B6-90-trans","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","4","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0399","0.0371","","","0.1004","0.1039","","","","","","1.073","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103563","6.4289","0.0002","9.9793","0.0003","12.8331","0.0004","81.995","0.002","85.672","0.002","74.704","0.002","785.77","0.04","120","2","120","2","","","","","","","","3","P 1","P 1","1","compound RRRR14b","","","- C19 H24 O2 -","- C19 H24 O2 -","- C38 H48 O4 -","2","2","","W. Christopher Boyd; Mark R. Crimmin; Lauren E. Rosebrugh; Jennifer M. Schomaker; Robert G. Bergman; F. Dean Toste","Cobalt-Mediated, Enantioselective Synthesis of C2 and C1 Dienes","Journal of the American Chemical Society","2010","132","","16365","16367","10.1021/ja107968c","","","1.54178","CuKα","","0.0318","0.0293","","","0.0737","0.0804","","","","","","1.071","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103635","7.831","0.001","10.996","0.002","14.697","0.003","90.296","0.007","86.824","0.007","73.539","0.007","1211.5","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H35 Cr N2 -","- C28 H35 Cr N2 -","- C56 H70 Cr2 N4 -","2","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0641","0.0458","","","0.1204","0.1505","","","","","","0.966","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103793","7.2994","0.0018","12.819","0.003","13.121","0.003","77.774","0.015","89.559","0.016","77.542","0.018","1170.7","0.5","153","1","153","1","","","","","","","","4","P 1","P 1","1","","","","- C23 H29.5 Br0.5 O4 -","- C23 H29.5 Br0.5 O4 -","- C46 H59 Br O8 -","2","2","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0787","0.0684","","","0.1784","0.1881","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103940","9.0768","0.0002","11.4769","0.0003","13.8031","0.0003","111.847","0.0013","110.515","0.0012","92.9062","0.0012","1222.58","0.05","298.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C30 H26 N2 O4 -","- C30 H26 N2 O4 -","- C60 H52 N4 O8 -","2","2","","Shinji Yamada; Yoko Tokugawa","Cation-π Controlled Solid-State Photodimerization of 4-Azachalcones","Journal of the American Chemical Society","2009","131","","2098","2099","10.1021/ja809906c","","","1.54187","CuKα","","","0.0419","","","","0.1311","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103959","9.6382","0.0007","9.6449","0.0007","10.922","0.0007","103.46","0.001","100.068","0.001","93.397","0.001","966.9","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H59 N5 O10 -","- C34 H53 N5 O8 -","- C34 H53 N5 O8 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0437","0.0429","","","0.1131","0.1141","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4104080","9.6892","0.001","9.9873","0.001","10.4863","0.0011","78.256","0.002","64.72","0.001","75.357","0.002","882.45","0.16","130","2","130","2","","","","","","","","6","P 1","P 1","1","KB-VI-67","ellman01","","- C16 H24 Cl N O S -","- C16 H24 Cl N O S -","- C32 H48 Cl2 N2 O2 S2 -","2","2","","Katrien Brak; Jonathan A. Ellman","Asymmetric Synthesis of α-Branched Allylic Amines by the Rh(I)-Catalyzed Addition of Alkenyltrifluoroborates to N-tert-Butanesulfinyl Aldimines","Journal of the American Chemical Society","2009","131","","3850","3851","10.1021/ja9002603","","","0.71073","MoKα","","0.0841","0.0534","","","0.1047","0.1213","","","","","","1.033","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4104157","6.1718","0.0004","7.5275","0.0005","13.9663","0.0006","91.577","0.001","92.433","0.005","91.599","0.005","647.74","0.07","100","2","100","2","","","","","","","synthesized","4","P 1","P 1","1","1,6-Anhydro-2-iodo-4-O-benzyl-2-deoxy-β-D-glucopyranose","","","- C13 H15 I O4 -","- C13 H15 I O4 -","- C26 H30 I2 O8 -","2","2","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","0.71073","MoKα","","0.016","0.016","","","0.0584","0.0584","","","","","","1.303","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104177","10.5676","0.0018","13.375","0.002","15.023","0.003","103.159","0.003","95.365","0.002","106.548","0.002","1953.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C104 H76 N4 O4 S4 -","4","4","","Jonathan Clayden; Stephen P. Fletcher; Joseph J. W. McDouall; Stephen J. M. Rowbottom","Controlling Axial Conformation in 2-Arylpyridines and 1-Arylisoquinolines: Application to the Asymmetric Synthesis of QUINAP by Dynamic Thermodynamic Resolution","Journal of the American Chemical Society","2009","131","","5331","5343","10.1021/ja900722q","","","0.71073","MoKα","","0.0322","0.0316","","","0.0795","0.08","","","","","","1.047","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104526","9.3099","0.0013","12.519","0.002","12.858","0.002","63.488","0.002","83.907","0.002","81.996","0.002","1326.3","0.3","150","2","150","2","","","","","","","","3","P 1","P 1","1","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","4","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0682","0.0493","","","0.1189","0.1285","","","","","","1.002","","","","has coordinates,has disorder","178791","2020-10-21","18:00:00",""
"4104645","6.4091","0.0005","7.7404","0.0007","12.1635","0.0012","87.745","0.004","86.296","0.005","67.756","0.005","557.27","0.09","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","1","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.05","0.041","","","0.095","0.099","","","","","","1.088","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104660","17.58","0.002","22.673","0.003","27.942","0.004","113.887","0.002","95.475","0.002","105.025","0.002","9579","2","129","2","129","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C380 H380 Br20 N40 O40 S20 -","20","20","","Florian Kleinbeck; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Ring Expansion of Allenylcyclopropanols","Journal of the American Chemical Society","2009","131","","9178","9179","10.1021/ja904055z","","","0.71073","MoKα","","0.1367","0.0659","","","0.1312","0.1535","","","","","","1.146","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104703","8.3136","0.0002","8.7575","0.0002","10.6508","0.0003","78.823","0.001","67.434","0.001","62.095","0.001","632.72","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H37 N O6 -","- C30 H37 N O6 -","- C30 H37 N O6 -","1","1","","Mohammad Movassaghi; Meiliana Tjandra; Jun Qi","Total Synthesis of (-)-Himandrine","Journal of the American Chemical Society","2009","131","","9648","9650","10.1021/ja903790y","","","1.54178","CuKα","","0.0273","0.0268","","","0.0704","0.0707","","","","","","1.05","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104772","7.6288","0.0003","19.7515","0.001","24.028","0.001","75.136","0.002","82.376","0.002","88.422","0.002","3468.4","0.3","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","8","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0617","0.0511","","","0.1227","0.1286","","","","","","1.043","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104787","6.7723","0.0004","14.7754","0.0009","18.9647","0.001","110.205","0.003","100.064","0.003","90.673","0.004","1748.15","0.18","150","2","150","2","","","","","","","Leszek Rupnicki","5","P 1","P 1","1","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","4","","Leszek Rupnicki; Aakarsh Saxena; Hon Wai Lam","Aromatic Heterocycles as Activating Groups for Asymmetric Conjugate Addition Reactions. Enantioselective Copper-Catalyzed Reduction of 2-Alkenylheteroarenes","Journal of the American Chemical Society","2009","131","","10386","10387","10.1021/ja904365h","","","0.71073","MoKα","","0.08","0.0712","","","0.167","0.1762","","","","","","1.039","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104826","9.8899","0.0009","10.3026","0.001","10.4367","0.001","106.082","0.002","99.487","0.002","117.495","0.002","851.26","0.14","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H58 Co N4 S2 -","- C30 H58 Co N4 S2 -","- C30 H58 Co N4 S2 -","1","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0519","0.0439","","","0.0871","0.0914","","","","","","0.936","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104943","12.628","0.004","12.917","0.005","14.498","0.006","82.04","0.03","73.07","0.02","65.24","0.02","2054","1.4","93","","","","","","","","","","","6","P 1","P 1","1","","","","- C38 H56 Cl6 Mn N2 O2 -","- C38 H56 Cl6 Mn N2 O2 -","- C76 H112 Cl12 Mn2 N4 O4 -","2","2","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0842","","","","0.2474","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105002","10.541","0.0007","10.6705","0.0007","10.8608","0.0007","88.484","0.001","84.284","0.001","75.633","0.001","1177.51","0.13","85","2","85","2","","","","","","","","3","P 1","P 1","1","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","2","","Natalie C. Giampietro; Jeff W. Kampf; John P. Wolfe","Asymmetric Tandem Wittig Rearrangement/Aldol Reactions","Journal of the American Chemical Society","2009","131","","12556","12557","10.1021/ja905930s","","","0.71073","MoKα","","0.0317","0.0305","","","0.078","0.079","","","","","","1.068","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105055","9.382","0.004","10.224","0.004","13.076","0.005","93.713","0.006","93.174","0.006","90.627","0.006","1249.6","0.9","156","2","293","2","","","","","","","","5","P 1","P 1","1","KLVII-033B","","","- C27 H29 Br N2 O6 -","- C27 H29 Br N2 O6 -","- C54 H58 Br2 N4 O12 -","2","2","","Kimberly K. Larson; Richmond Sarpong","Total Synthesis of Alkaloid (\±)-G. B. 13 Using a Rh(I)-Catalyzed Ketone Hydroarylation and Late-Stage Pyridine Reduction","Journal of the American Chemical Society","2009","131","","13244","13245","10.1021/ja9063487","","","0.71073","MoKα","","0.0495","0.0366","","","0.0884","0.0946","","","","","","1.055","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105064","11.8137","0.0008","15.5303","0.0011","16.3912","0.0015","90","","90","","90","","3007.3","0.4","190","0.3","190","0.3","","","","","","","","6","P 1","P 1","1","","","","- C51 H36 N2 O8 Si Zn2 -","- C51 H36 N2 O8 Si Zn2 -","- C51 H36 N2 O8 Si Zn2 -","1","1","","Tendai Gadzikwa; Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp; SonBinh T. Nguyen","Selective Bifunctional Modification of a Non-catenated Metal-Organic Framework Material via ""Click"" Chemistry","Journal of the American Chemical Society","2009","131","","13613","13615","10.1021/ja904189d","","","0.71073","MoKα","","0.0894","0.0696","","","0.166","0.1767","","","","","","0.935","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105137","11.403","","12.964","","18.047","","74.12","","89.69","","86.76","","2561.8","","213","","213","","","","","","","","","7","P 1","P 1","1","","","","- C132 H94 B2 Cu2 F8 Fe2 N10 -","- C132 H94 B2 Cu2 F8 Fe2 N10 -","- C132 H94 B2 Cu2 F8 Fe2 N10 -","1","1","","Shoko Kume; Kuniharu Nomoto; Tetsuro Kusamoto; Hiroshi Nishihara","Intramolecular Electron Arrangement with a Rotative Trigger","Journal of the American Chemical Society","2009","131","","14198","14199","10.1021/ja906684g","","","0.71073","MoKα","","","0.0527","","","","0.1493","","","","","","1.082","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105188","11.5072","0.0006","16.0988","0.0008","17.1281","0.0008","76.541","0.003","72.712","0.003","77.066","0.004","2905.3","0.3","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C120 H85 F36 N12 O18.5 -","- C120 H84 F22.8 N12 O18.5 -","- C120 H84 F22.8 N12 O18.5 -","1","1","","Sylvain Koeller; Joji Kadota; Alain Deffieux; Frédéric Peruch; Stéphane Massip; Jean-Michel Léger; Jean-Pierre Desvergne; Brigitte Bibal","Ring-Opening Polymerization of l-Lactide Efficiently Triggered by an Amido-Indole. X-ray Structure of a Complex betweenl-Lactide and the Hydrogen-Bonding Organocatalyst","Journal of the American Chemical Society","2009","131","","15088","15089","10.1021/ja906119t","","","1.5418","CuKα","","0.2294","0.1435","","","0.37","0.4685","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105192","9.7036","0.0004","12.8407","0.0005","15.7989","0.0006","101.927","0.002","92.695","0.002","94.785","0.002","1915.18","0.13","248","2","248","2","","","","","","","","6","P 1","P 1","1","","","","- C70 H16 Cl12 F30 S3 Se3 -","- C70 H16 Cl12 F30 S3 Se3 -","- C70 H16 Cl12 F30 S3 Se3 -","1","1","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Aromatic Expanded Isophlorins: Stable 30π Annulene Analogues with Diverse Structural Features","Journal of the American Chemical Society","2009","131","","15433","15439","10.1021/ja906290d","","","0.71073","MoKα","","0.1058","0.0505","","","0.1238","0.1523","","","","","","1.015","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105396","6.296","0.0013","6.743","0.0014","9.347","0.002","95.088","0.003","93.518","0.003","91.218","0.004","394.37","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C18 H14 Br2 O4 -","2","2","","Pingfan Li; Hisashi Yamamoto","Lewis Acid Catalyzed Inverse-Electron-Demand Diels-Alder Reaction of Tropones","Journal of the American Chemical Society","2009","131","","16628","16629","10.1021/ja908127f","","","0.71073","MoKα","","0.0421","0.0366","","","0.0857","0.0874","","","","","","1.016","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105528","9.0489","0.0009","11.8543","0.0012","14.1652","0.0014","96.5484","0.0012","99.1573","0.0012","90.8419","0.0012","1489.5","0.3","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H43 N O4 Si -","- C32 H43 N O4 Si -","- C64 H86 N2 O8 Si2 -","2","2","","Christian C. Ventocilla; K. A. Woerpel","Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes","Journal of the American Chemical Society","2011","133","","406","408","10.1021/ja109631z","","","0.71073","MoKα","","0.0424","0.0391","","","0.1009","0.1037","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105542","5.8761","0.0005","12.7456","0.0012","19.2364","0.0018","105.615","0.006","90.264","0.006","93.624","0.006","1384.4","0.2","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0504","0.044","","","0.1118","0.1161","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105543","5.8599","0.0004","12.7267","0.0009","19.2131","0.0012","105.576","0.004","90.305","0.004","93.135","0.004","1377.87","0.16","93","1","93","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0488","0.0446","","","0.1157","0.1196","","","","","","1.065","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105609","12.291","0.002","13.669","0.003","14.416","0.003","90.076","0.004","92.249","0.003","90.223","0.003","2420.1","0.8","153","","153","","","","","","","","","5","P 1","P 1","1","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","2","","Kohsuke Ohmatsu; Mari Kiyokawa; Takashi Ooi","Chiral 1,2,3-Triazoliums as New Cationic Organic Catalysts with Anion-Recognition Ability: Application to Asymmetric Alkylation of Oxindoles","Journal of the American Chemical Society","2011","133","","1307","1309","10.1021/ja1102844","","","0.71073","MoKα","","0.0403","0.038","","","0.0976","0.0999","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105652","10.1135","0.0011","17.243","0.002","19.003","0.002","80.393","0.002","88.068","0.002","89.455","0.002","3265.5","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H53 B N2 O Os P2 -","- C31 H53 B N2 O Os P2 -","- C124 H212 B4 N8 O4 Os4 P8 -","4","4","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0946","0.058","","","0.1096","0.13","","","","","","0.938","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105653","10.2107","0.0015","23.871","0.003","29.595","0.005","100.687","0.004","90.333","0.003","101.922","0.005","6928.2","1.8","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C33 H57 B N2 O Os P2 -","- C33 H57 B N2 O Os P2 -","- C264 H456 B8 N16 O8 Os8 P16 -","8","8","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0667","0.0535","","","0.1191","0.1281","","","","","","1.013","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105680","5.6337","0.00026","5.6337","0.00026","17.6466","0.0004","90","","90","","90","","560.08","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105684","5.6441","0.00026","5.6441","0.00026","17.7137","0.0004","90","","90","","90","","564.29","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105763","8.6853","0.0005","11.3946","0.0006","20.2971","0.0011","74.297","0.003","79.005","0.003","89.123","0.003","1896.84","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H22 N O P -","- C22 H22 N O P -","- C88 H88 N4 O4 P4 -","4","4","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0966","0.059","","","0.1352","0.156","","","","","","1","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105772","8.4743","0.0002","9.9717","0.0003","19.2114","0.0006","92.846","0.002","94.772","0.002","114.413","0.0012","1466.82","0.07","130","2","130","2","","","","","","","","7","P 1","P 1","1","CDS021","CDS021","","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","1","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.0622","0.0556","","","0.1422","0.148","","","","","","1.092","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105792","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105914","7.43","0.002","7.801","0.003","16.053","0.006","97.207","0.003","99.73","0.006","91.882","0.005","908.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","1","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0309","0.0272","","","0.0532","0.0543","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105960","5.0852","0.0006","5.5751","0.0007","17.793","0.003","96.981","0.006","93.8853","0.0015","99.0089","0.0014","492.58","0.12","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","1","1","","Tomonori Misaki; Kei Kawano; Takashi Sugimura","Highly Z-Selective Asymmetric 1,4-Addition Reaction of 5H-Oxazol-4-ones with Alkynyl Carbonyl Compounds Catalyzed by Chiral Guanidines","Journal of the American Chemical Society","2011","133","","5695","5697","10.1021/ja200283n","","","0.71069","MoKα","","","0.0603","","","","0.0589","","","","","","1.11","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106130","5.6076","0.00013","9.3875","0.0002","12.8524","0.0003","70.347","0.002","89.0054","0.0019","83.0633","0.0019","632.3","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br F O -","- C14 H14 Br F O -","- C28 H28 Br2 F2 O2 -","2","2","","Jacobsen, Christian Borch; Nielsen, Martin; Worgull, Dennis; Zweifel, Theo; Fisker, Esben; Jørgensen, Karl Anker","Asymmetric Organocatalytic Monofluorovinylations","Journal of the American Chemical Society","2011","133","19","7398","7404","10.1021/ja110624k","","","0.71073","MoKα","","0.0411","0.0298","","","0.0967","0.1112","","","","","","0.826","","","","has coordinates","210880","2020-10-21","18:00:00",""
"4106189","7.293","0.0015","10.03","0.002","12.207","0.002","85.06","0.03","77.13","0.03","87.58","0.03","867","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Cl3 N O4 -","- C16 H12 Cl3 N O4 -","- C32 H24 Cl6 N2 O8 -","2","2","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0699","0.0614","","","0.1752","0.1826","","","","","","1.11","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106190","4.945","0.001","6.6101","0.0013","14.853","0.003","88.98","0.03","81.05","0.03","77.28","0.03","467.75","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","1","1","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0334","0.0321","","","0.0774","0.0785","","","","","","1.111","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106338","12.44","0.01","12.594","0.01","12.697","0.01","90","","100.954","0.014","90","","1953","3","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 F3 N2 O2 -","- C21 H23 F3 N2 O2 -","- C84 H92 F12 N8 O8 -","4","4","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1818","0.0513","","","0.0878","0.1196","","","","","","0.705","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106519","12.0044","0.0001","15.5921","0.0002","16.7986","0.0002","65.209","0.001","76.525","0.001","89.311","0.001","2762.81","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H37.25 N O8.12 -","- C28 H37.25 N O8.125 -","- C112 H149 N4 O32.5 -","4","4","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0307","0.0304","","","0.0807","0.081","","","","","","1.039","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106936","8.946","0.005","9.455","0.005","9.534","0.005","65.477","0.005","78.997","0.005","77.201","0.005","711","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H20 F N O2 -","- C16 H20 F N O2 -","- C32 H40 F2 N2 O4 -","2","2","","Matthew H. Katcher; Allen Sha; Abigail G. Doyle","Palladium-Catalyzed Regio- and Enantioselective Fluorination of Acyclic Allylic Halides","Journal of the American Chemical Society","2011","133","","15902","15905","10.1021/ja206960k","","","1.54184","CuKα","","0.04","0.0392","","","0.1061","0.1077","","","","","","1.108","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107133","8.9009","0.0019","8.942","0.002","10.699","0.003","82.986","0.011","71.318","0.008","67.524","0.009","745.4","0.3","113","2","113","2","","","","","","","","5","P 1","P 1","1","8a","","","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","1","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0306","0.0296","","","0.0643","0.0644","","","","","","0.943","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107162","10.2446","0.0002","10.4139","0.0002","14.1631","0.0003","81.36","0.001","78.361","0.001","82.855","0.001","1456.22","0.05","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","1","1","","Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat","Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes","Journal of the American Chemical Society","2011","133","","19131","19152","10.1021/ja206064v","","","0.71073","MoKα","","0.0237","0.0237","","","0.0616","0.0616","","","","","","0.976","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107192","10.083","0.006","10.455","0.005","15.23","0.007","84.552","0.007","88.78","0.01","62.157","0.006","1412.7","1.3","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42.5 F3 N O5.5 -","- C29 H42 F3 N O5.25 -","- C58 H84 F6 N2 O10.5 -","2","2","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.1595","0.0957","","","0.23","0.2753","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107362","9.2186","0.0003","11.7478","0.0003","12.7738","0.0003","83.2188","0.0015","70.2479","0.0014","76.7223","0.0016","1265.95","0.06","160","1","160","1","","","","","","","","3","P 1","P 1","1","","","","- C65 H60 O5 -","- C65 H60 O5 -","- C65 H60 O5 -","1","1","","Tomoharu Hayama; Kim K. Baldridge; Yao-Ting Wu; Anthony Linden; Jay S. Siegel","Steric Isotope Effects Gauged by the Bowl-Inversion Barrier in Selectively Deuterated Pentaarylcorannulenes","Journal of the American Chemical Society","2008","130","","1583","1591","10.1021/ja073052y","","","0.71073","MoKα","","0.0652","0.0451","","","0.0999","0.1124","","","","","","1.067","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107491","5.0572","0.0007","11.6708","0.0014","13.3628","0.0015","113.92","0.005","94.895","0.005","96.313","0.005","709.22","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H13 Br N O4 -","- C14 H13 Br N O4 -","- C28 H26 Br2 N2 O8 -","2","2","","Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische","Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands","Journal of the American Chemical Society","2008","130","","2746","2747","10.1021/ja710862u","","","0.71073","MoKα","","0.1003","0.0759","","","0.176","0.1876","","","","","","1.34","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107635","8.9593","0.0003","9.1325","0.0002","9.2993","0.0003","111.338","0.002","95.541","0.002","105.76","0.002","665.68","0.04","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H25 F3 N2 O13 S -","- C22 H25 F3 N2 O13 S -","- C22 H25 F3 N2 O13 S -","1","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0672","0.061","","","0.1532","0.1585","","","","","","1.055","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107723","13.5139","0.0003","13.5518","0.0003","20.3459","0.0004","89.7632","0.0011","89.9457","0.0011","87.7746","0.0011","3723.26","0.14","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C144 H168 Cl8 N16 O24 -","8","8","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate","Journal of the American Chemical Society","2008","130","","5630","5631","10.1021/ja800326d","","","1.54187","CuKα","","","0.052","","","","0.1576","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107792","9.0136","0.0008","11.0459","0.001","11.1448","0.001","81.098","0.001","80.032","0.001","89.905","0.001","1079.34","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H56 Cl3 N5 O8 -","- C37 H56 Cl3 N5 O8 -","- C37 H56 Cl3 N5 O8 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0422","0.0405","","","0.1046","0.1068","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107796","9.6483","0.0014","10.7101","0.0015","13.9602","0.0019","100.241","0.002","107.743","0.002","94.394","0.002","1338.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H72 Cl3 N7 O10 -","- C47 H72 Cl3 N7 O10 -","- C47 H72 Cl3 N7 O10 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0515","0.0479","","","0.128","0.1329","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107797","10.4798","0.0015","10.7124","0.0015","13.7467","0.0019","85.002","0.002","83.407","0.002","83.323","0.002","1518.4","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C49 H73 Cl12 N7 O10 -","- C45 H69 N7 O10 -","- C45 H69 N7 O10 -","1","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0785","0.0728","","","0.194","0.1989","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107871","11.3943","0.0009","13.5615","0.0011","14.5726","0.0011","105.098","0.001","110.681","0.001","106.799","0.001","1844.2","0.3","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C84 H84 Li3 O12 Yb -","- C84 H84 Li3 O12 Yb -","- C84 H84 Li3 O12 Yb -","1","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","","0.027","0.0268","","","0.0563","0.0564","","","","","","0.977","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4108123","10.1814","0.0003","10.5773","0.0004","10.8061","0.0003","82.344","0.002","70.265","0.001","61.284","0.002","960.06","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","2","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0507","0.0401","","","0.0857","0.0987","","","","","","1.032","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00",""
"4108139","11.5638","0.0006","13.8887","0.0008","18.3931","0.0011","82.969","0.0016","73.271","0.0014","75.505","0.0015","2734.9","0.3","183.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C69 H62 Cl2 Ir N2 O5 -","- C68.5 H56 Cl Ir N2 O5 -","- C137 H112 Cl2 Ir2 N4 O10 -","2","2","","Hidehiro Suematsu; Shigefumi Kanchiku; Tatsuya Uchida; Tsutomu Katsuki","Construction of Aryliridium-Salen Complexes: Enantio- and Cis-Selective Cyclopropanation of Conjugated and Nonconjugated Olefins","Journal of the American Chemical Society","2008","130","","10327","10337","10.1021/ja802561t","","","0.71075","MoKα","","","0.0475","","","","0.1398","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108185","11.2974","0.0007","11.7303","0.0008","12.8223","0.0006","103.283","0.004","97.9031","0.0011","98.387","0.0016","1610.08","0.17","173.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C65 H74 Cl8 Ru2 S2 -","- C65 H74 Cl8 Ru2 S2 -","- C65 H74 Cl8 Ru2 S2 -","1","1","","Koji Fukamizu; Yoshihiro Miyake; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Enantioselective Carbon-Carbon Bond Forming Reaction via Allenylidene-Ene Process: Synthetic Approach to Chiral Heterocycles Such As Chromane, Thiochromane, and 1,2,3,4-Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2008","130","","10498","10499","10.1021/ja8038745","","","0.71069","MoKα","","","0.0341","","","","0.0566","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108200","6.9407","0.0014","10.272","0.002","19.15","0.004","99.51","0.03","90.95","0.03","99.87","0.03","1325.2","0.5","153","2","153","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H38 O4 -","- C31 H38 O4 -","- C62 H76 O8 -","2","2","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1242","0.0855","","","0.161","0.1794","","","","","","1.067","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108417","12.634","0.003","13.905","0.003","14.845","0.004","90.303","0.005","112.075","0.004","95.868","0.004","2401.4","1","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","1","1","","Changle Chen; Shuji Luo; Richard F. Jordan","Multiple Insertion of a Silyl Vinyl Ether by (α-Diimine)PdMe+ Species","Journal of the American Chemical Society","2008","130","","12892","12893","10.1021/ja8056858","","","0.71073","MoKα","","0.0506","0.0457","","","0.0847","0.0869","","","","","","0.894","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108418","12.68","0.008","13.926","0.009","14.868","0.009","90.3","0.011","111.83","0.01","95.895","0.011","2422","3","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","- C107 H93 B F20 N2 O2 Pd Si2 -","1","1","","Changle Chen; Shuji Luo; Richard F. Jordan","Multiple Insertion of a Silyl Vinyl Ether by (α-Diimine)PdMe+ Species","Journal of the American Chemical Society","2008","130","","12892","12893","10.1021/ja8056858","","","0.71073","MoKα","","0.0562","0.0525","","","0.1179","0.1226","","","","","","1.049","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108759","10.0974","0.0002","10.4407","0.0003","11.4272","0.0003","104.745","0.002","112.477","0.001","100.54","0.001","1022.22","0.05","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H69 Al Li N O4 -","- C37 H69 Al Li N O4 -","- C37 H69 Al Li N O4 -","1","1","","Hiroshi Naka; James V. Morey; Joanna Haywood; Dana J. Eisler; Mary McPartlin; Felipe García; Hironaga Kudo; Yoshinori Kondo; Masanobu Uchiyama; Andrew E. H. Wheatley","Mixed Alkylamido Aluminate as a Kinetically Controlled Base","Journal of the American Chemical Society","2008","130","","16193","16200","10.1021/ja804749y","","","0.71073","MoKα","","0.1028","0.0847","","","0.2264","0.2492","","","","","","1.06","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108791","10.7024","0.0007","10.9502","0.0007","23.4669","0.0015","80.043","0.001","52.828","0.001","89.314","0.001","2143.4","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","1209 YY-056 1209a2n.CIF, neutron H positions calculated from the X-ray H-positions, unconventional unit cell (not reduced)","Cyclohexyl 4'-O-cyclohexyl-beta-D-glucopyranosyl- (1->-4)-beta-D-glucopyranoside, solvate with cyclohexane in 3:2 ratio","","- C84 H150 O33 -","- C84 H150 O33 -","- C84 H150 O33 -","1","1","","Yuko Yoneda; Kurt Mereiter; Christian Jaeger; Lothar Brecker; Paul Kosma; Thomas Rosenau; Alfred French","van der Waals versus Hydrogen-Bonding Forces in a Crystalline Analog of Cellotetraose: Cyclohexyl 4'-O-Cyclohexyl β-d-Cellobioside Cyclohexane Solvate","Journal of the American Chemical Society","2008","130","","16678","16690","10.1021/ja805147t","","","0.71073","MoKα","","0.0492","0.0451","","","0.1121","0.1161","","","","","","1.041","","","","has coordinates,has disorder","212006","2020-10-21","18:00:00",""
"4108794","4.4875","0.0004","6.9458","0.0007","12.8851","0.0012","75.995","0.002","87.823","0.002","86.401","0.002","388.8","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C19 H16 N2 O S -","1","1","","Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Additions of Indoles to Nitroalkenes","Journal of the American Chemical Society","2008","130","","16464","16465","10.1021/ja8063292","","","0.71073","MoKα","","0.0513","0.0502","","","0.1266","0.1275","","","","","","1.008","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108810","10.7024","0.0007","10.9502","0.0007","23.4669","0.0015","80.043","0.001","52.828","0.001","89.314","0.001","2143.4","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","1209 YY-056 1209a2.CIF, X-ray H positions, unconventional unit cell (not reduced)","Cyclohexyl 4'-O-cyclohexyl-beta-D-glucopyranosyl- (1->-4)-beta-D-glucopyranoside, solvate with cyclohexane in 3:2 ratio","","- C84 H150 O33 -","- C84 H150 O33 -","- C84 H150 O33 -","1","1","","Yuko Yoneda; Kurt Mereiter; Christian Jaeger; Lothar Brecker; Paul Kosma; Thomas Rosenau; Alfred French","van der Waals versus Hydrogen-Bonding Forces in a Crystalline Analog of Cellotetraose: Cyclohexyl 4'-O-Cyclohexyl β-d-Cellobioside Cyclohexane Solvate","Journal of the American Chemical Society","2008","130","","16678","16690","10.1021/ja805147t","","","0.71073","MoKα","","0.0492","0.0451","","","0.1121","0.1161","","","","","","1.041","","4108791","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108948","10.397","0.001","10.6917","0.001","13.8862","0.0013","81.785","0.002","78.731","0.002","88.759","0.002","1498.3","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N O -","- C18 H20 N O -","- C72 H80 N4 O4 -","4","4","","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","","0.0794","0.0535","","","0.1123","0.1263","","","","","","1.007","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4109036","6.325","0.005","6.363","0.005","11.963","0.009","99.621","0.018","97.89","0.019","93.099","0.017","468.7","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C20 H25 N O4 -","1","1","","Javier Adrio; Juan C. Carretero","Butenolide Synthesis by Molybdenum-Mediated Hetero-Pauson-Khand Reaction of Alkynyl Aldehydes","Journal of the American Chemical Society","2007","129","","778","779","10.1021/ja0684186","","","0.71073","MoKα","","0.1104","0.0992","","","0.2531","0.2676","","","","","","1.223","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109269","6.813","0.004","7.416","0.004","14.072","0.008","81.121","0.009","76.345","0.008","83.5","0.009","680.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Val-Pro-Gpn-OH","","","- C24 H41 N3 O7 -","- C24 H41 N3 O7 -","- C24 H41 N3 O7 -","1","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0528","0.0514","","","0.1398","0.1416","","","","","","1.101","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109308","14.2905","0.0011","14.3984","0.0012","16.4038","0.0013","79.206","0.001","81.292","0.001","73.63","0.002","3163.7","0.4","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C139 H87 B4 Cl9 N24 O28 -","- C139 H87 B4 Cl9 N24 O28 -","- C139 H87 B4 Cl9 N24 O28 -","1","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71073","MoKα","","0.0594","0.0479","","","0.1208","0.1327","","","","","","1.039","","","","has coordinates,has disorder","178839","2020-10-21","18:00:00",""
"4109430","6.4444","0.0001","10.941","0.0002","16.0581","0.0003","70.9653","0.001","89.3442","0.001","89.8008","0.001","1070.25","0.03","294","","294","","","","","","","","","5","P 1","P 1","1","","","","- C8 H6.4 Cl N O3.2 -","- C8 H6.4 Cl N O3.2 -","- C40 H32 Cl5 N5 O16 -","5","5","","Yi Wang; Hongming Li; Yong-Qiang Wang; Yan Liu; Bruce M. Foxman; Li Deng","Asymmetric Diels-Alder Reactions of 2-Pyrones with a Bifunctional Organic Catalyst","Journal of the American Chemical Society","2007","129","","6364","6365","10.1021/ja070859h","","","0.71073","MoKα","","0.0602","0.0492","","0.1298","0.1236","0.1298","","","","","","0.954","","","","has coordinates,has disorder","178840","2020-10-21","18:00:00",""
"4109482","9.25","0.002","9.299","0.002","15.983","0.003","79.86","0.07","84.04","0.06","77.34","0.07","1317.4","0.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Boc-(Aib)3-L-Ser(OAllyl)-(Aib)2-L-Ser(OAllyl)-Aib-OMe monohydrate","","- C42 H74 N8 O14 -","- C42 H74 N8 O14 -","- C42 H74 N8 O14 -","1","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","","0.0757","0.0624","","","0.1705","0.1947","","","","","","1.045","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109506","8.46","0.005","10.152","0.005","11.884","0.005","71.846","0.005","83.081","0.005","71.356","0.005","918.7","0.8","120","2","120","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C43 H50 N2 O7 -","- C43 H50 N2 O7 -","- C43 H50 N2 O7 -","1","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.0509","0.0386","","","0.0802","0.0865","","","","","","1.062","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109513","6.345","0.005","8.183","0.005","11.894","0.005","72.862","0.005","84.838","0.005","68.755","0.005","549.9","0.6","273","2","273","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C27 H27 N O4 -","1","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.0697","0.0515","","","0.1341","0.1428","","","","","","1.075","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109540","13.3754","0.0012","15.3953","0.0014","15.7098","0.0015","70.609","0.002","70.501","0.002","67.214","0.002","2733.9","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C57.5 H69.5 N4.5 Ni2 O9 -","- C57.5 H63.5 N4.5 Ni2 O9 -","- C115 H127 N9 Ni4 O18 -","2","2","","You-Moon Jeon; Jungseok Heo; Chad A. Mirkin","Dynamic Interconversion of Amorphous Microparticles and Crystalline Rods in Salen-Based Homochiral Infinite Coordination Polymers","Journal of the American Chemical Society","2007","129","","7480","7481","10.1021/ja071046w","","","0.71073","MoKα","","0.1351","0.0762","","","0.2018","0.2447","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4109628","8.884","0.008","10.569","0.002","18.114","0.002","82.1","0.02","88.22","0.02","84.79","0.01","1677.4","1.6","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 Mn S16 Se8 -","- C44 H46 Cl10 Mn S16 Se8 -","- C44 H46 Cl10 Mn S16 Se8 -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.03","","","","0.082","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109629","8.919","0.005","10.512","0.002","17.912","0.002","83.21","0.02","88.43","0.02","84.81","0.01","1660.5","1","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 Cu S16 Se8 -","- C44 H46 Cl10 Cu S16 Se8 -","- C44 H46 Cl10 Cu S16 Se8 -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.029","","","","0.08","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109630","8.866","0.002","10.561","0.002","18.086","0.004","82.19","0.02","88.02","0.02","84.76","0.01","1670.3","0.6","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 Co S16 Se8 -","- C44 H46 Cl10 Co S16 Se8 -","- C44 H46 Cl10 Co S16 Se8 -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.03","","","","0.083","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109631","8.8579","0.001","10.5377","0.0011","18.06","0.002","82.204","0.003","88.008","0.003","84.742","0.003","1662.7","0.3","113.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl10 S16 Se8 Zn -","- C44 H46 Cl10 S16 Se8 Zn -","- C44 H46 Cl10 S16 Se8 Zn -","1","1","","Hiroshi Ito; Daichi Suzuki; Harutaka Watanabe; Hisaaki Tanaka; Shin-ichi Kuroda; Masamichi Umemiya; Norihito Kobayashi; Makoto Goto; Ken-ichi Sugiura; Hitoshi Miyasaka; Shinya Takaishi; Takashi Kajiwara; Masahiro Yamashita; Eiji Ohmichi; Toshihito Osada","Metal-Insulator Transition of Charge-Transfer Salts Based on Unsymmetrical Donor DMET and Metal Halide Anions (DMET)4(MCl4)(TCE)2 (M = Mn, Co, Cu, Zn; TCE = 1,1,2-trichloroethane)","Journal of the American Chemical Society","2007","129","","8510","8518","10.1021/ja070672q","","","0.7107","MoKα","","","0.037","","","","0.106","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109678","13.518","0.003","14.663","0.003","16.499","0.003","92.87","0.03","90.92","0.03","94.06","0.03","3257.4","1.2","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C70 H33 B Cl2 F28 N2 Ni O2 -","- C70 H33 B Cl2 F28 N2 Ni O2 -","- C140 H66 B2 Cl4 F56 N4 Ni2 O4 -","2","2","","Dieter Meinhard; Marcus Wegner; Georgy Kipiani; Andrew Hearley; Peter Reuter; Stefan Fischer; Othmar Marti; Bernhard Rieger","New Nickel(II) Diimine Complexes and the Control of Polyethylene Microstructure by Catalyst Design","Journal of the American Chemical Society","2007","129","","9182","9191","10.1021/ja070224i","","","0.71073","MoKα","","0.1031","0.0379","","","0.0593","0.0722","","","","","","0.777","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109689","10.5941","0.0013","10.6543","0.0013","11.8832","0.0015","96.817","0.002","116.02","0.002","104.097","0.002","1129.2","0.2","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H19 Br N2 O6 -","- C24 H19 Br N2 O6 -","- C48 H38 Br2 N4 O12 -","2","2","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0415","0.0347","","","0.0767","0.0789","","","","","","0.981","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109693","6.6816","0.0005","7.5785","0.0007","25.49","0.002","87.798","0.005","86.717","0.006","64.962","0.005","1167.37","0.17","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C21 H34 O4 S Si -","- C21 H34 O4 S Si -","- C42 H68 O8 S2 Si2 -","2","2","","Ahmad El-Awa; Xavier Mollat du Jourdin; Philip L. Fuchs","Asymmetric Synthesis of All Eight Seven-Carbon Dipropionate Stereotetrads","Journal of the American Chemical Society","2007","129","","9086","9093","10.1021/ja071217x","","","0.71073","MO-Kα","","0.085","0.072","","","0.19","0.203","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109757","10.697","0.004","11.566","0.004","17.418","0.007","81.656","0.006","84.628","0.007","63.194","0.006","1902.1","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C64 H80 Co2 F24 N4 O14 -","- C64 H80 Co2 F24 N4 O14 -","- C64 H80 Co2 F24 N4 O14 -","1","1","","Youhei Numata; Katsuya Inoue; Nikolai Baranov; Mohamedally Kurmoo; Koichi Kikuchi","Field-Induced Ferrimagnetic State in a Molecule-Based Magnet Consisting of a CoIII on and a Chiral Triplet Bis(nitroxide) Radical","Journal of the American Chemical Society","2007","129","","9902","9909","10.1021/ja064828i","","","0.71073","MoKα","","0.0804","0.0709","","","0.1881","0.1949","","","","","","0.992","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109894","12.264","0.009","14.08","0.002","8.444","0.001","101.07","0.008","88.617","0.006","108.563","0.009","1355.4","1","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H72 O18 -","- C56 H68 O18 -","- C56 H68 O18 -","1","1","","Bruno Botta; Ilaria D'Acquarica; Giuliano Delle Monache; Laura Nevola; Danila Tullo; Franco Ugozzoli; Marco Pierini","Nitrosonium Complexes of Resorc[4]arenes: Spectral, Kinetic, and Theoretical Studies","Journal of the American Chemical Society","2007","129","","11202","11212","10.1021/ja072855i","","","1.54178","CuKα","","0.1976","0.0795","","","0.2006","0.2526","","","","","","0.821","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110089","9.066","0.0003","14.5671","0.0005","20.5696","0.0008","74.904","0.001","89.009","0.001","81.677","0.001","2594.57","0.16","193","2","193","2","","","","","","","chemical synthesis","5","P 1","P 1","1","","(1S,7R,8S)-(7-Hydroxybicyclo[5.2.0]nonan-8-yl)methyl 4-Bromophenylcarbamate","","- C17 H22.67 Br N O3.33 -","- C17 H22.6667 Br N O3.33333 -","- C102 H136 Br6 N6 O20 -","6","6","","Eda Canales; E. J. Corey","Highly Enantioselective [2+2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex","Journal of the American Chemical Society","2007","129","","12686","12687","10.1021/ja0765262","","","0.71073","MoKα","","0.0491","0.0313","","","0.0639","0.0699","","","","","","0.87","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110135","12.795","0.004","13.528","0.005","18.54","0.006","80.228","0.005","87.238","0.006","89.993","0.005","3158.8","1.8","193","2","193","2","","","","","","","chemical synthesis","5","P 1","P 1","1","","","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C140 H130 Br10 N20 O10 -","10","10","","Izzat T. Raheem; Parvinder S. Thiara; Emily A. Peterson; Eric N. Jacobsen","Enantioselective Pictet-Spengler-Type Cyclizations of Hydroxylactams: H-Bond Donor Catalysis by Anion Binding","Journal of the American Chemical Society","2007","129","","13404","13405","10.1021/ja076179w","","","0.71073","MoKα","","0.0797","0.0436","","","0.0927","0.1072","","","","","","0.931","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110545","15.5904","0.0009","23.5849","0.0014","28.7199","0.0017","101.915","0.0009","93.0456","0.0008","103.457","0.0008","9992","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C47.93 H73.01 Cl5.79 N7 O10.04 -","- C47.9286 H72.9286 Cl5.78571 N7 O10.0429 -","- C335.5 H510.5 Cl40.5 N49 O70.3 -","7","7","","Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns","Journal of the American Chemical Society","2006","128","","4538","4539","10.1021/ja060281w","","","0.71073","Mo-Kα","","0.0721","0.0643","","","0.1692","0.1753","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110565","10.9522","0.0013","12.8449","0.0015","13.4477","0.0015","85.608","0.003","84.918","0.003","69.34","0.002","1761.1","0.4","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H36 O4 P2 -","- C41 H36 O4 P2 -","- C82 H72 O8 P4 -","2","2","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.1332","0.0612","","","0.1567","0.1776","","","","","","1.023","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110635","7.6996","0.0013","14.279","0.003","15.933","0.003","88","0.003","77.06","0.002","76.47","0.003","1659.6","0.5","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","4","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.05","0.0394","","","0.0873","0.0912","","","","","","0.964","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110714","5.6454","0.001","8.273","0.0014","12.505","0.002","87.45","0.003","84.949","0.003","74.79","0.003","561.25","0.16","213","2","213","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C24 H32 O5 -","1","1","","David A. Evans; Victor J. Cee; Sarah J. Siska","Asymmetric Induction in Methyl Ketone Aldol Additions to α-Alkoxy and α,β-Bisalkoxy Aldehydes: A Model for Acyclic Stereocontrol","Journal of the American Chemical Society","2006","128","","9433","9441","10.1021/ja061010o","","","0.71073","MoKα","","0.0491","0.0472","","","0.1281","0.1301","","","","","","1.014","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110743","6.9897","0.0011","9.7442","0.0015","11.9069","0.0019","100.29","0.003","107.477","0.003","91.366","0.003","758.5","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C36 H28 Br2 N2 -","2","2","","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","","0.0979","0.0582","","","0.1349","0.1522","","","","","","0.839","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110944","10.5531","0.0007","14.559","0.0011","16.1074","0.0014","80.593","0.007","76.37","0.007","88.287","0.006","2372.6","0.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C49 H30 Cl0 F12 N7.5 P2 Ru -","- C49 H30 F12 N7.5 P2 Ru -","- C98 H60 F24 N15 P4 Ru2 -","2","2","","Maria Abrahamsson; Michael Jäger; Tomas Österman; Lars Eriksson; Petter Persson; Hans-Christian Becker; Olof Johansson; Leif Hammarström","A 3.0 μs Room Temperature Excited State Lifetime of a Bistridentate RuII-Polypyridine Complex for Rod-like Molecular Arrays","Journal of the American Chemical Society","2006","128","","12616","12617","10.1021/ja064262y","","","0.7093","","","0.2258","0.068","","","0.1419","0.1733","","","","","","0.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111124","8.2717","0.0006","8.2798","0.0005","9.1507","0.0007","72.459","0.003","88.762","0.004","75.142","0.003","576.54","0.07","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 Br O6 -","- C11 H13 Br O6 -","- C22 H26 Br2 O12 -","2","2","","Xiaoguang Lei; John A. Porco","Total Synthesis of the Diazobenzofluorene Antibiotic (-)-Kinamycin C1","Journal of the American Chemical Society","2006","128","","14790","14791","10.1021/ja066621v","","","0.71073","MoKα","","0.0286","0.0257","","","0.065","0.0658","","","","","","1.062","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111281","10.617","0.004","10.616","0.004","17.008","0.006","90.014","0.007","89.982","0.007","90.011","0.006","1917","1.2","183.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C32 H22 Co2 Cr La N8 O12 -","- C32 H22 Co2 Cr La N8 O12 -","- C64 H44 Co4 Cr2 La2 N16 O24 -","2","2","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0527","","","","0.1505","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111282","10.634","0.001","10.6385","0.0008","16.878","0.002","89.956","0.007","89.992","0.008","89.904","0.007","1909.4","0.3","183.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C32 H22 Co2 Cr Gd N8 O12 -","- C32 H22 Co4.5 Cr Gd N10.5 O12 -","- C64 H44 Co9 Cr2 Gd2 N21 O24 -","2","2","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0493","","","","0.1758","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111397","6.8915","0.0012","7.0243","0.0012","10.7781","0.0019","103.58","0.003","93.139","0.003","111.337","0.003","466.7","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","1","1","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.0316","0.0294","","","0.0718","0.0728","","","","","","1.001","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111424","10.8185","0.0002","13.0054","0.0003","16.0637","0.0003","83.061","0.001","77.156","0.001","81.597","0.001","2170.78","0.08","100","1","100","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H57 Cl N2 P2 Ru -","- C54 H57 Cl N2 P2 Ru -","- C108 H114 Cl2 N4 P4 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0578","0.0478","","","0.122","0.1289","","","","","","1.017","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111426","11.0741","0.0002","13.71","0.0003","16.8074","0.0003","84.21","0.001","82.089","0.001","67.678","0.001","2334.82","0.08","150","1","150","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H55 N2 O2 P3 Ru -","- C54 H55 N2 O2 P3 Ru -","- C108 H110 N4 O4 P6 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0441","0.0352","","","0.0726","0.0761","","","","","","1.034","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111618","13.837","0.012","14.073","0.016","14.231","0.013","115.24","0.08","98.64","0.06","90.88","0.12","2468","5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30.23 H26.47 Cl0.47 P2 Pt -","- C30.2333 H26.4667 Cl0.466667 P2 Pt -","- C90.7 H79.4 Cl1.4 P6 Pt3 -","3","3","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.1559","0.1235","","","0.299","0.3289","","","","","","1.218","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111754","12.8296","0.0014","13.624","0.0014","14.112","0.0014","118.715","0.004","105.839","0.004","100.505","0.004","1932.2","0.4","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","1","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.0693","0.0465","","","0.0977","0.1063","","","","","","0.947","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111795","10.2343","0.0005","19.118","0.001","20.9287","0.001","67.553","0.003","86.753","0.003","83.63","0.003","3760.8","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C97 H105 Cd3 Cl12 N9 O21 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","1","1","","Chuan-De Wu; Aiguo Hu; Lin Zhang; Wenbin Lin","A Homochiral Porous Metal-Organic Framework for Highly Enantioselective Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2005","127","","8940","8941","10.1021/ja052431t","","","0.71073","MoKα","","0.12","0.0827","","","0.222","0.2582","","","","","","1.079","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111876","15.765","0.012","16.535","0.01","26.9","0.02","74.22","0.03","82.32","0.03","75.39","0.03","6514","8","150","2","150","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-[(R,R)-Ab5,6=c]6-OEt","Ethyl 8-{{8-{{8-{{8-{{8-{[(1R,6R)-8-(tert-Butoxycarbonylamino) bicyclo[4.3.0]non-3-en-8-yl]carbonylamino}-(1R,6R)-bicyclo[4.3.0]non- 3-en-8-yl}carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}- carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-carboxylate","","- C68 H95 N6 O9.5 -","- C68 H95 N6 O9.5 -","- C272 H380 N24 O38 -","4","4","","Masakazu Tanaka; Kosuke Anan; Yosuke Demizu; Masaaki Kurihara; Mitsunobu Doi; Hiroshi Suemune","Side-Chain Chiral Centers of Amino Acid and Helical-Screw Handedness of Its Peptides","Journal of the American Chemical Society","2005","127","","11570","11571","10.1021/ja053842c","","","0.71075","MoKα","","0.1037","0.0589","","","0.1373","0.1552","","","","","","0.885","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111918","17.353","0.001","18.956","0.001","19.884","0.001","99.42","","100.11","0.01","93.68","","6323.2","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C120 H131 N17 O20 -","- C120 H127 N17 O20 -","- C240 H254 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.1506","0.1398","","","0.3659","0.3802","","","","","","1.251","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111919","17.126","0.001","19.1","0.001","20.095","0.001","74.62","","78.47","0.01","84.68","","6204.4","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C128 H129 N17 O20 -","- C128 H129 N17 O20 -","- C256 H258 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.188","0.1484","","","0.372","0.4119","","","","","","1.552","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112235","13.906","0.009","5.635","0.003","14.432","0.009","90.22","0.03","104.7","0.019","90.45","0.03","1093.8","1.1","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O5 -","- C40 H56 O10 -","2","2","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.1471","0.1252","","","0.3121","0.3409","","","","","","1.322","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112426","8.926","0.0006","13.2286","0.0009","13.8214","0.001","87.708","0.001","80.563","0.001","78.737","0.001","1578.86","0.19","193","2","193","2","","","","","","","","5","P 1","P 1","1","1(MeCN)","","","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","1","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0837","0.0668","","","0.1799","0.2005","","","","","","1.082","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112465","9.023","0.003","9.848","0.003","12.297","0.004","86.474","0.005","85.994","0.005","86.697","0.005","1086.4","0.6","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H22 Br O4 -","- C25 H22 Br O4 -","- C50 H44 Br2 O8 -","2","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0954","0.0515","","","0.1071","0.124","","","","","","1.036","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112633","11.1627","0.0019","11.863","0.003","12.101","0.002","119.333","0.003","100.859","0.003","91.662","0.004","1358.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","[Rb-(2,2,2-crypt)]2(Si5)*4(NH3)","","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","1","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.0931","0.0705","","","0.1713","0.1889","","","","","","1.005","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112660","4.846","0.001","5.949","0.0012","19.861","0.004","85","0.03","88.23","0.03","68.31","0.03","530","0.2","301","2","301","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","1","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0555","0.0468","","","0.1193","0.1245","","","","","","1.06","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112684","10.397","0.001","10.6917","0.001","13.8862","0.0013","81.785","0.002","78.731","0.002","88.759","0.002","1498.3","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N O -","- C18 H20 N O -","- C72 H80 N4 O4 -","4","4","","Phil S. Baran; Jeremy M. Richter","Direct Coupling of Indoles with Carbonyl Compounds: Short, Enantioselective, Gram-Scale Synthetic Entry into the Hapalindole and Fischerindole Alkaloid Families","Journal of the American Chemical Society","2004","126","","7450","7451","10.1021/ja047874w","","","0.71073","MoKα","","0.0794","0.0535","","","0.1123","0.1263","","","","","","1.007","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112712","10.3602","0.0005","13.1543","0.0007","14.0843","0.0007","97.199","0.001","104.068","0.001","106.275","0.001","1748.26","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C33.5 H54 Cl2 Si2 Zr -","- C33.5 H54 Cl2 Si2 Zr -","- C67 H108 Cl4 Si4 Zr2 -","2","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0365","0.0299","","","0.0618","0.063","","","","","","1.447","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112857","9.6803","0.0017","10.1882","0.0018","10.5467","0.0018","61.938","0.003","76.23","0.003","63.747","0.003","822.6","0.3","299","2","299","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H19 B P -","- C17 H19 B P -","- C34 H38 B2 P2 -","2","2","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1472","0.0761","","","0.1454","0.1765","","","","","","1.021","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4113380","6.4227","0.0003","9.8743","0.0004","11.3325","0.0005","84.945","0.001","88.118","0.001","89.872","0.001","715.52","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H45 N O6 S -","- C28 H45 N O6 S -","- C28 H45 N O6 S -","1","1","","Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou","Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues","Journal of the American Chemical Society","2003","125","","26","27","10.1021/ja028196l","","","0.71073","MoKα","","0.0341","0.0333","","","0.0845","0.0853","","","","","","1.039","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113481","16.047","0.001","19.51","0.002","4.8643","0.0003","90.07","0.005","90.132","0.003","90.096","0.004","1522.9","0.2","296.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C17 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","4","","Naoya Kumagai; Shigeki Matsunaga; Tomofumi Kinoshita; Shinji Harada; Shigemitsu Okada; Shigeru Sakamoto; Kentaro Yamaguchi; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2169","2178","10.1021/ja028926p","","","0.7107","MoKα","","","0.0822","","","","0.2184","","","","","","1.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113548","8.022","0.003","8.91","0.004","13.138","0.005","80.19","0.04","79.47","0.03","69.01","0.03","856.3","0.6","296.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C19 H22 O3 S -","- C19 H22 O3 S -","- C38 H44 O6 S2 -","2","2","","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","","","0.044","","","","0.125","","","","","","1.349","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113568","10.198","0.002","10.455","0.002","14.959","0.003","85.14","0.01","82.97","0.01","63.31","0.01","1413.5","0.5","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H45 Cl3 O8 P2 Pt S2 -","- C57 H45 Cl3 O8 P2 Pt S2 -","- C57 H45 Cl3 O8 P2 Pt S2 -","1","1","","Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar","Ligand Effects on Charge Transport in Platinum(II) Acetylides","Journal of the American Chemical Society","2003","125","","3202","3203","10.1021/ja029564o","","","1.54178","CuKα","","0.056","0.051","","","0.1283","0.1327","","","","","","1.014","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4113719","10.802","0.003","16.361","0.005","17.853","0.006","116.405","0.005","95.535","0.007","93.164","0.006","2795.8","1.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Aib-Ala-Phe-Aib-Phe-Ala-Val-Aib-OMe","t-Butoxycarbonyl-(alpha-aminoisobutyryl)-alanyl-phenylalanyl- (alpha-aminoisobutyryl)-phenylalanyl-alanyl-valyl-(alpha-aminoisobutyryl)- methyl ester tetrahydrate","","- C47 H70 N8 O13 -","- C47 H70 N8 O13 -","- C94 H140 N16 O26 -","2","2","","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","","","0.71073","MoKα","","0.2345","0.0768","","","0.1858","0.2712","","","","","","0.733","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113723","8.546","0.001","8.55","0.001","11.194","0.001","67.59","0.01","67.63","0.01","59.99","0.01","636.09","0.14","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- Cs2 H12 Na2 O25 V2 W4 -","- Cs2 Na2 O25 V2 W4 -","- Cs2 Na2 O25 V2 W4 -","1","1","","Wenlin Huang; Louis Todaro; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Six-Coordinate Lindqvist Oxoanions: A Sensitive Probe for the Electronic Environment in Vanadium-Containing Polyoxometalates. Counterions Dictate the 51V Fine Structure Constants in Polyoxometalate Solids","Journal of the American Chemical Society","2003","125","","5928","5938","10.1021/ja029246p","","","","CuKα","","0.052","","","","","0.0684","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114024","5.51","0.01","12.59","0.01","14.17","0.01","83.3","0.1","72.61","0.1","81.11","0.1","924","2","","","","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C38 H52 N10 O5 -","- C38 H52 N10 O5 -","- C38 H52 N10 O5 -","1","1","","W. Seth Horne; C. David Stout; M. Reza Ghadiri","A Heterocyclic Peptide Nanotube","Journal of the American Chemical Society","2003","125","","9372","9376","10.1021/ja034358h","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114093","10.0476","0.0005","15.29","0.0008","17.8404","0.0009","69.177","0.001","89.916","0.001","74.787","0.001","2459.1","0.2","213","2","213","2","","","","","","","","6","P 1","P 1","1","","cis-{[bis(mu-acetato)]-bis[(mu-di(p-tolyl)formamidinato)]diruthenium(II,III) chloride(p-tolylformamidine) dichloromethane solvate","","- C44 H49 Cl5 N6 O4 Ru2 -","- C44 H49 Cl5 N6 O4 Ru2 -","- C88 H98 Cl10 N12 O8 Ru4 -","2","2","","Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges","Journal of the American Chemical Society","2003","125","","10327","10334","10.1021/ja036095x","","","0.71073","MoKα","","0.0479","0.0375","","","0.0828","0.0889","","","","","","1.021","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114108","12.408","0.002","15.433","0.003","21.717","0.004","101.477","0.003","104.861","0.004","95.632","0.004","3890","1.2","183.2","","183.2","","","","","","","","","5","P 1","P 1","1","","","","- C175 H153 I N4 O26 -","- C175 I N4 O26 -","- C175 I N4 O26 -","1","1","","Kenji Kobayashi; Kei Ishii; Shigeru Sakamoto; Toshiaki Shirasaka; Kentaro Yamaguchi","Guest-Induced Assembly of Tetracarboxyl-Cavitand and Tetra(3-pyridyl)-Cavitand into a Heterodimeric Capsule via Hydrogen Bonds and CH-Halogen and/or CH-π Interaction: Control of the Orientation of the Encapsulated Guest","Journal of the American Chemical Society","2003","125","","10615","10624","10.1021/ja035337q","","","0.7107","MoKα","","0.1636","0.164","","0.197","","0.197","","","3.391","","","3.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114109","12.57","0.003","19.354","0.004","21.471","0.005","63.99","0.04","75.32","0.05","76.08","0.05","4491","2","103.2","","","","","","","","","","","4","P 1","P 1","1","","","","- C206 H189 N5 O26 -","- C206 N5 O26 -","- C206 N5 O26 -","1","1","","Kenji Kobayashi; Kei Ishii; Shigeru Sakamoto; Toshiaki Shirasaka; Kentaro Yamaguchi","Guest-Induced Assembly of Tetracarboxyl-Cavitand and Tetra(3-pyridyl)-Cavitand into a Heterodimeric Capsule via Hydrogen Bonds and CH-Halogen and/or CH-π Interaction: Control of the Orientation of the Encapsulated Guest","Journal of the American Chemical Society","2003","125","","10615","10624","10.1021/ja035337q","","","0.7107","MoKα","","","0.159","","","","0.173","","","","","","4.633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114250","8.8427","0.0006","14.0094","0.001","17.1887","0.0012","100.107","0.002","96.21","0.001","95.706","0.002","2068.7","0.3","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C48.5 H44 Cl2 N2 O2 Ru -","- C48.5 H44 Cl2 N2 O2 Ru -","- C97 H88 Cl4 N4 O4 Ru2 -","2","2","","Joshua J. Van Veldhuizen; Dennis G. Gillingham; Steven B. Garber; Osamu Kataoka; Amir H. Hoveyda","Chiral Ru-Based Complexes for Asymmetric Olefin Metathesis: Enhancement of Catalyst Activity through Steric and Electronic Modifications","Journal of the American Chemical Society","2003","125","","12502","12508","10.1021/ja0302228","","","0.71073","MoKα","","0.0359","0.034","","","0.0868","0.092","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114382","10.4","0.01","6.717","0.006","5.962","0.007","80.37","0.05","118.08","0.05","114.8","0.05","333.3","0.6","293","2","293","2","","","","","","","","3","P 1","P 1","1","cellulose","","","- C12 H24 O10 -","- C12 H14 O10 -","- C12 H14 O10 -","1","1","","Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan","Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2003","125","","14300","14306","10.1021/ja037055w","","","0.7206","synchrotron","","0.1867","0.1779","","","0.4296","0.4353","","","","","","2.408","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114383","10.4","0.0005","6.717","0.006","5.962","0.007","80.37","0.05","118.08","0.05","114.8","0.05","333.3","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","cellulose","","","- C12 H14 D10 O6 -","- C12 H14 D6 O10 -","- C12 H14 D6 O10 -","1","1","","Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan","Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction","Journal of the American Chemical Society","2003","125","","14300","14306","10.1021/ja037055w","","","1.3058","","","0.205","0.2049","","","0.4566","0.4566","","","","","","2.688","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114628","5.2543","0.0004","10.236","0.0008","11.3852","0.0009","71.562","0.001","87.505","0.001","80.018","0.001","572.06","0.08","213","2","213","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","1","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","","0.0316","0.0315","","","0.0751","0.0752","","","","","","1.053","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114641","9.5252","0.0004","11.3143","0.0005","13.6606","0.0007","84.852","0.001","86.093","0.001","71.928","0.001","1392.68","0.11","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H35 N O4 -","- C33 H35 N O4 -","- C66 H70 N2 O8 -","2","2","","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","","0.0329","0.0319","","","0.0885","0.0897","","","","","","1.008","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114694","8.85","0.003","11.543","0.004","17.556","0.005","103.254","0.004","92.885","0.004","90.983","0.004","1742.7","1","150","","150","","","","","","","","?","7","P 1","P 1","1","","","","- C24 H38.5 F12 N7 O8.75 P2 Ru -","- C24 H38.5 F12 N7 O8.75 P2 Ru -","- C48 H77 F24 N14 O17.5 P4 Ru2 -","2","2","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","","0.0665","","","","0.0695","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114764","6.332","0.002","12.636","0.005","19.532","0.008","81.077","0.007","90","0.007","90","0.008","1543.9","1","213","2","213","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H32 Br Cl N2 O8 -","- C30 H32 Br Cl N2 O8 -","- C60 H64 Br2 Cl2 N4 O16 -","2","2","","Andrew G. Myers; Alexander R. Hurd; Philip C. Hogan","Evidence for Facile Atropisomerism and Simple (Non-Nucleophilic) Biradical-Forming Cycloaromatization within Kedarcidin Chromophore Aglycon","Journal of the American Chemical Society","2002","124","","4583","4585","10.1021/ja020152p","","","0.71073","MoKα","","0.1667","0.1306","","","0.3692","0.3995","","","","","","1.54","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4115134","12.382","0.002","16.375","0.003","19.952","0.004","74.505","0.007","89.255","0.009","84.184","0.005","3877.9","1.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C114 H184 N30 Ni6 O28 -","- C114 H166 N30 Ni6 O28 -","- C114 H166 N30 Ni6 O28 -","1","1","","Myunghyun Paik Suh; Jung Woo Ko; Hye Jin Choi","A Metal-Organic Bilayer Open Framework with a Dynamic Component: Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2002","124","","10976","10977","10.1021/ja017560y","","","0.71073","MoKα","","0.2965","0.1491","","","0.3791","0.4548","","","","","","1.299","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115229","11.392","0.002","11.591","0.002","12.421","0.002","64.3","0.01","78.19","0.01","63.07","0.01","1317.6","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H65 F6 N8 O14 S2 Yb -","- C43 H65 F6 N8 O14 S2 Yb -","- C43 H65 F6 N8 O14 S2 Yb -","1","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0225","0.0225","","","0.0497","0.0497","","","","","","1.015","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115230","11.288","0.002","11.981","0.002","12.454","0.002","64.7","0.01","76.53","0.01","62.42","0.01","1348.4","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C44 H66 F6 N8 O15 S2 Yb -","- C44 H66 F6 N8 O15 S2 Yb -","- C44 H66 F6 N8 O15 S2 Yb -","1","1","","Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann","Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes","Journal of the American Chemical Society","2002","124","","12697","12705","10.1021/ja020836x","","","0.71073","MoKα","","0.0253","0.0253","","","0.0634","0.0634","","","","","","1.022","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115410","9.294","0.001","11.783","0.001","8.924","0.001","98.65","0.01","116.481","0.009","81.41","0.01","861.05","0.17","296.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","1","1","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0387","","","","0.0302","","","","","","3.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115600","8.5581","0.0003","9.8036","0.0003","10.6673","0.0004","64.651","0.001","68.683","0.001","87.56","0.001","746.65","0.05","173","2","173","2","","","","","","","Y. Dong / Prof. L. Que","6","P 1","P 1","1","96026","","","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","1","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0251","0.0245","","0.063","0.0621","","","","1.061","1.054","1.054","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115713","18.129","0.002","15.411","0.002","15.585","0.002","103.97","0.01","112.89","0.01","98.79","0.01","3741.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe methyl ester/Beta-Cyclodextrin","","","- C108 H217 N2 O100 -","- C107.388 H96 N1.949 O98.867 -","- C107.388 H96 N1.949 O98.867 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0916","0.0791","","","0.2145","0.237","","","","","","1.041","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115714","18.12","0.06","15.4","0.06","15.53","0.06","103.32","0.06","112.86","0.06","99.22","0.06","3732","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-F-amide/Beta-cyclodextrin","","","- C108 H216 N2 O176 -","- C106.001 H91 N4 O97.37 -","- C106.001 H91 N4 O97.37 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0859","0.0837","","","0.2125","0.2162","","","","","","1.057","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115715","18.31","0.06","15.51","0.06","15.31","0.06","102.78","0.06","112.66","0.06","99.47","0.06","3759","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-p-methoxy-L-phe methyl ester/Beta-CD","","","- C110 H218 N2 O100 -","- C110 H98 N2 O100.55 -","- C110 H98 N2 O100.55 -","1","1","","Joanna L. Clark; Billy R. Booth; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 2.1 A New Perturbation: The Room-Temperature Crystallographic Structure Determination for the N-Acetyl-p-methoxy-l-phenylalanine Methyl Ester/β-Cyclodextrin Complex","Journal of the American Chemical Society","2001","123","","9889","9895","10.1021/ja0100221","","","0.71073","MoKα","","0.1053","0.0827","","","0.2119","0.2253","","","","","","1.018","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00",""
"4115770","13.24","0.003","13.96","0.003","19.037","0.004","71.581","0.004","77.543","0.004","75.193","0.004","3192.4","1.2","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C59 H75.5 Cl4 Co N6 O14.25 -","- C59 H75 Cl4 Co N6 O14.25 -","- C118 H150 Cl8 Co2 N12 O28.5 -","2","2","","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","","0.2642","0.0642","","","0.1257","0.215","","","","","","0.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115935","10.224","0.002","10.476","0.003","10.024","0.003","116.84","0.02","93.15","0.02","83.69","0.02","952.2","0.5","298","","","","","","","","","","","4","P 1","P 1","1","","","","- C45 H47 N O5 -","- C45 H47 N O5 -","- C45 H47 N O5 -","1","1","","Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda","The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals","Journal of the American Chemical Society","2000","122","","1818","1819","10.1021/ja992437g","","","0.71073","MoKα","","","0.068","","","","0.172","","","","","","1.7","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115936","10.283","0.001","10.295","0.001","10.141","0.001","118.29","0.01","92.79","0.01","84","0.01","940.16","0.18","300","","","","","","","","","","","4","P 1","P 1","1","","","","- C45 H47 N O5 -","- C45 H47 N O5 -","- C45 H47 N O5 -","1","1","","Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda","The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals","Journal of the American Chemical Society","2000","122","","1818","1819","10.1021/ja992437g","","","0.71073","MoKα","","","0.056","","","","0.092","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115973","10.199","0.002","10.63","0.002","14.062","0.002","82.49","","69.36","","83.35","","1410.4","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H32 N11 O11 Pr -","- C18 H32 N11 O11 Pr -","- C36 H64 N22 O22 Pr2 -","2","2","","Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau","Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives","Journal of the American Chemical Society","2000","122","","3413","3421","10.1021/ja994175o","","","0.71069","MoKα","","0.0986","0.03","","","0.0615","0.0725","","","","","","1.004","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116038","5.2543","0.0004","10.236","0.0008","11.3852","0.0009","71.562","0.001","87.505","0.001","80.018","0.001","572.06","0.08","213","2","213","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","- C26 H29 Hg N O3 -","1","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","","0.0316","0.0315","","","0.0751","0.0752","","","","","","1.053","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116496","7.6043","0.0005","9.049","0.001","6.7747","0.0009","99.2","0.01","102.186","0.008","78.951","0.009","443.75","0.08","296.2","","296.2","","","","","","","","","6","P 1","P 1","1","","","","- C12 H24 N2 O6 S2 V -","- C12 H24 N2 O6 S2 V -","- C12 H24 N2 O6 S2 V -","1","1","","Kawabe, Kenji; Tadokoro, Makoto; Ichimura, Akio; Kojima, Yoshitane; Takino, Toshikazu; Sakurai, Hiromu","Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV) Complexes with N,N'-Ethylenebis(amino acids)","Journal of the American Chemical Society","1999","121","34","7937","7938","10.1021/ja984225+","","","1.5418","CuKα","","0.0276","0.0276","","","0.0382","0.0382","","","","","","1.36","","","","has coordinates","270160","2021-10-29","11:54:27",""
"4116626","7.902","0.002","8.256","0.003","8.859","0.003","78.4","0.02","76.73","0.02","87.96","0.03","551","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0624","0.0327","","0.1365","0.091","","","","0.89","0.878","0.878","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116627","8.056","0.005","8.326","0.005","8.751","0.006","77.78","0.05","78.13","0.05","89.88","0.05","560.9","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0532","0.049","","0.1319","0.1271","","","","1.117","1.124","1.124","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116628","7.889","0.005","8.294","0.005","8.727","0.005","79.7","0.05","74.71","0.04","87.15","0.05","541.9","0.6","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Miguel A. Miranda; Agustin Lahoz; Ramón Martínez-Máñez; Francisco Boscá; José V. Castell; Julia Pérez-Prieto","Enantioselective Discrimination in the Intramolecular Quenching of an Excited Aromatic Ketone by a Ground-State Phenol","Journal of the American Chemical Society","1999","121","","11569","11570","10.1021/ja990823s","","","0.71073","MoKα","","0.0319","0.0297","","0.0874","0.0835","","","","0.815","0.8","0.8","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116933","6.095","0.001","7.659","0.002","10.042","0.002","101.89","0.03","93.06","0.03","94.15","0.03","456.39","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(2R,3R)-O-((E)-2-((1R,2R)-2-Hydroxy-2-methylcyclopentyl)vinyl)- N,N,N',N'-tetramethylsuccinamide","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","1","1","","Gary A. Molander; J. Christopher McWilliams; Bruce C. Noll","Remote Stereochemical Control of Both Reacting Centers in Ketyl-Olefin Radical Cyclizations: Involvement of a Samarium Tridentate Ligate","Journal of the American Chemical Society","1997","119","","1265","1276","10.1021/ja963195c","","","0.71069","MoKα","","0.0549","0.039","","0.0818","0.0759","","","","1.02","1.082","1.082","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116948","15.668","0.006","15.914","0.003","15.614","0.002","91.73","0.01","120.19","0.02","116.85","0.02","2830.3","1.7","288.2","","298","","","","","","","","","5","P 1","P 1","1","","","","- C33 H72 N18 O21 Zn3 -","- C33 H66 N18 O21 Zn3 -","- C66 H132 N36 O42 Zn6 -","2","2","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0514","","","0.0705","","","","","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116965","6.617","0.002","7.436","0.002","13.965","0.003","76.39","0.02","82.31","0.02","87.26","0.02","661.7","0.3","293","","293","","","","","","","","","7","P 1","P 1","1","","","","- C9 H15 Cl F12 N P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","1","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.044","","","0.0484","","","","","3.6013","3.6013","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117161","9.126","0.001","11.685","0.001","8.529","0.002","99.64","0.02","105.42","0.02","76.613","0.01","847.5","0.2","23","","23","","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 O2 S -","- C42 H32 O4 S2 -","- C42 H32 O4 S2 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.087","","","0.101","","","","","8.58","8.58","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117212","9.871","0.001","17.6408","0.0009","6.1787","0.0009","90.28","0.007","107.31","0.01","101.002","0.006","1006.1","0.2","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratoru","4","P 1","P 1","1","Photocondensation product of acridine and diphenylacetic acid","","","- C53 H46 N2 O -","- C53 H46 N2 O -","- C53 H46 N2 O -","1","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","0.7107","MoKα","","","0.033","","","0.05","","","","","1.4","1.4","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117236","15.095","0.005","16.824","0.005","17.09","0.005","90.401","0.004","97.417","0.008","97.631","0.009","4264","2","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C48.5 H90 Na O45 -","- C48.5 H81.5 Na O45 -","- C97 H163 Na2 O90 -","2","2","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.1255","0.1224","","","0.3235","0.327","","","","","","1.48","","","","has coordinates","286259","2023-09-07","06:04:42",""
"4117519","9.666","0.003","11.403","0.002","15.665","0.004","73.02","0.02","89.56","0.02","75.84","0.02","1597.4","0.7","110","","110","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H57 Br P4 Ru -","- C28 H57 Br P4 Ru -","- C56 H114 Br2 P8 Ru2 -","2","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0336","0.0296","","","0.0532","0.0551","","","","","","1.016","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117533","5.202432","0.000007","5.202446","0.000007","14.0145","0.00011","90","","90","","119.999","","328.494","0.003","","","","","","","","","","","","1","P 1","P 1","1","","","","- Fe6 -","- Fe6 -","- Fe6 -","1","1","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4117577","7.9434","0.0007","8.0334","0.0008","19.9028","0.0019","80.665","0.006","80.049","0.006","82.737","0.007","1228","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H10.5 N O S Se -","- C13 H12 N S Se -","- C52 H48 N4 S4 Se4 -","4","4","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.2531","0.0655","","","0.1275","0.1917","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117613","15.3425","0.0003","15.367","0.0003","23.8764","0.0004","72.5438","0.0007","81.2377","0.0007","60.1809","0.0008","4659.02","0.16","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H30 Cl2 O -","- C43 H30 Cl2 O -","- C258 H180 Cl12 O6 -","6","6","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0499","0.0414","","","0.102","0.1162","","","","","","1.121","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117728","9.8884","0.0002","12.4534","0.0003","14.2131","0.0003","91.4581","0.0015","102.372","0.0015","112.572","0.0014","1567.36","0.06","93.1","","93","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H14 F N O2 S -","- C19 H14 F N O2 S -","- C76 H56 F4 N4 O8 S4 -","4","4","","Takahiro Nishimura; Akira Noishiki; Gavin Chit Tsui; Tamio Hayashi","Asymmetric Synthesis of (Triaryl)methylamines by Rhodium-Catalyzed Addition of Arylboroxines to Cyclic N-Sulfonyl Ketimines","Journal of the American Chemical Society","2012","134","","5056","5059","10.1021/ja300697c","","","1.54187","CuKα","","","0.0464","","","","0.1447","","","","","","1.144","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118000","9.4357","0.0008","10.0619","0.0008","17.2986","0.0013","88.36","0.001","76.684","0.001","71.824","0.001","1516.8","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C14 H30.5 O2.25 -","- C14 H30.5 O2.25 -","- C56 H122 O9 -","4","4","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0728","0.0433","","","0.0965","0.1106","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118113","8.752","0.006","9.781","0.007","19.961","0.012","94.18","0.05","96.78","0.05","115.96","0.05","1510.7","1.9","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H31 F6 N3 O4 -","- C30 H31 F6 N3 O4 -","- C60 H62 F12 N6 O8 -","2","2","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1883","0.0577","","","0.1476","0.2153","","","","","","1.002","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118180","5.7546","0.0012","12.147","0.002","12.151","0.002","104.48","0.02","90.08","0.03","90.16","0.03","822.4","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","2","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.03","0.0299","","","0.086","0.0861","","","","","","1.02","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118181","5.5849","0.0004","9.4558","0.0006","9.9361","0.0007","116.623","0.005","94.611","0.006","90.704","0.004","466.88","0.06","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C21 H28 O3 -","1","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0484","0.0448","","","0.1175","0.1214","","","","","","1.048","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118204","8.3944","0.0003","9.6158","0.0005","12.7663","0.0006","74.492","0.001","71.769","0.002","79.369","0.001","937.38","0.07","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0574","0.0432","","","0.1063","0.138","","","","","","1.085","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118205","9.4628","0.0004","10.2341","0.0008","10.2812","0.0005","114.352","0.003","116.121","0.002","94.339","0.003","773.13","0.09","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H31 N O4 S -","- C39 H31 N O4 S -","- C39 H31 N O4 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0389","0.0361","","","0.0897","0.0918","","","","","","1.063","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118292","7.6145","0.0006","7.9079","0.0007","9.6513","0.0008","99.938","0.002","98.057","0.001","106.992","0.002","536.12","0.08","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","ubsc11","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","2","","Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler","Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans","Journal of the American Chemical Society","2012","134","","12149","12156","10.1021/ja3034075","","","0.71073","MoKα","","0.1071","0.0539","","","0.1298","0.1569","","","","","","0.972","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118359","8.6025","0.0003","11.4786","0.0004","16.0146","0.0011","100.217","0.007","93.384","0.007","108.598","0.008","1463.64","0.15","195","2","195","2","","","","","","","","4","P 1","P 1","1","","(1R)-2,3,5-Tri-O-benzyl-4-O-formyl-D-arabinose 1-(dimethyl phosphonate)","","- C29 H35 O9 P -","- C29 H35 O9 P -","- C58 H70 O18 P2 -","2","2","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0379","0.0328","","","0.0764","0.094","","","","","","1.142","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118422","9.328","0.0006","11.9779","0.0009","14.8126","0.0009","81.227","0.004","84.778","0.004","69.172","0.004","1527.55","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0453","0.0299","","","0.055","0.0597","","","","","","1.016","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118425","10.3684","0.0008","11.195","0.0008","14.5462","0.0011","102.916","0.004","102.609","0.004","101.865","0.004","1547.5","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0389","0.0326","","","0.0793","0.0861","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118431","7.0468","0.0004","7.1015","0.0004","15.3922","0.0008","87.122","0.004","83.596","0.005","74.946","0.005","739.01","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 Cl N O -","- C16 H26 Cl N O -","- C32 H52 Cl2 N2 O2 -","2","2","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.056","0.0527","","","0.145","0.1467","","","","","","1.081","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118448","9.8201","0.0003","9.8553","0.0003","17.5142","0.0006","93.279","0.002","101.951","0.003","97.077","0.002","1639.67","0.09","133","2","133","2","","","","","","","","8","P 1","P 1","1","","","","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","1","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","1.54178","CuKα","","0.0969","0.0866","","","0.2207","0.2323","","","","","","0.989","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118494","7.61622","0.00015","12.3664","0.0003","13.3676","0.0002","75.4211","0.0017","89.7585","0.0015","75.0582","0.0018","1174.81","0.04","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C50 H56 Cl2 N2 O12 -","2","2","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0678","0.0607","","","0.1717","0.1774","","","","","","1.386","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118555","13.142","0.0003","14.228","0.0003","14.63","0.0003","76.398","0.001","79.756","0.001","64.152","0.001","2383.96","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1091","0.0867","","","0.2301","0.2575","","","","","","0.97","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118558","11.5412","0.0002","12.9559","0.0002","14.5534","0.0003","79.051","0.001","87.26","0.001","83.109","0.001","2120.38","0.07","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1265","0.1075","","","0.3012","0.3359","","","","","","1.157","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118593","10.0136","0.0005","10.1157","0.0005","10.9568","0.0005","108.517","0.002","101.863","0.002","115.104","0.002","874.95","0.08","147","2","147","2","","","","","","","","3","P 1","P 1","1","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","2","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","1.54178","CuKα","","0.0476","0.0441","","","0.1238","0.1265","","","","","","1.075","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118669","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118744","11.668","0.004","17.093","0.006","18.174","0.006","64.95","0.005","76.278","0.005","88.581","0.006","3178.2","1.9","173","2","173","2","","","","","","","","5","P 1","P 1","1","ccs27jan11","","","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","1","1","","Timothy K. Beng; William S. Tyree; Trent Parker; Chicheung Su; Paul G. Williard; Robert E. Gawley","Dynamics of Catalytic Resolution of 2-Lithio-N-Boc-piperidine by Ligand Exchange","Journal of the American Chemical Society","2012","134","","16845","16855","10.1021/ja307796e","","","0.71073","","","0.0923","0.0753","","","0.2011","0.2277","","","","","","1.036","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118866","5.54059","0.00016","10.0757","0.0004","10.3999","0.0004","97.848","0.003","100.309","0.003","90.16","0.003","565.63","0.04","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","1","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0303","0.0298","","","0.0846","0.0852","","","","","","1.079","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118883","8.7151","0.0007","10.1879","0.0011","14.983","0.002","76.556","0.004","73.339","0.005","66.602","0.004","1159","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H26 N2 O4 S3 -","- C21 H26 N2 O4 S3 -","- C42 H52 N4 O8 S6 -","2","2","","Hongli Bao; Uttam K. Tambar","Catalytic Enantioselective Allylic Amination of Unactivated Terminal Olefins via an Ene Reaction/[2,3]-Rearrangement","Journal of the American Chemical Society","2012","134","","18495","18498","10.1021/ja307851b","","","1.5418","CuKα","","0.0514","0.0386","","","0.0954","0.1178","","","","","","1.091","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118905","5.657","0.003","9.558","0.005","10.914","0.006","111.971","0.008","98.331","0.009","104.655","0.009","510.2","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C21 H23 N O5 S -","1","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.062","0.0533","","","0.0948","0.098","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118923","18.2508","0.0004","19.216","0.0005","20.1901","0.0014","84.8","0.006","63.27","0.005","72.872","0.005","6036.4","0.6","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","1","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","0.0588","0.0523","","","0.1298","0.1341","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118980","7.778","0.0016","10.516","0.002","11.757","0.002","115.63","0.03","100.45","0.03","100.87","0.03","813.1","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C38 H34 Cl2 N4 O2 -","2","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0683","0.0656","","","0.1591","0.1624","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4119037","9.3019","0.0007","9.6426","0.0007","11.6855","0.0007","87.354","0.002","89.943","0.002","61.196","0.002","917.19","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H52 N4 O7 -","- C36 H46 N4 O7 -","- C36 H46 N4 O7 -","1","1","","Jangbae Kim; Sunbum Kwon; Su Hyun Kim; Chung-Kyung Lee; Joon-Hwa Lee; Sung June Cho; Hee-Seung Lee; Hyotcherl Ihee","Microtubes with Rectangular Cross-Section by Self-Assembly of a Short β-Peptide Foldamer","Journal of the American Chemical Society","2012","134","","20573","20576","10.1021/ja3088482","","","0.71073","MoKα","","0.1415","0.0716","","","0.1703","0.2092","","","","","","1.033","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119197","11.5814","0.0011","11.7027","0.0011","14.1322","0.0014","71.241","0.001","89.359","0.001","68.989","0.001","1681.3","0.3","90","2","90","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 N6 O6 Pd -","- C34 H34 N6 O6 Pd -","- C68 H68 N12 O12 Pd2 -","2","2","","Yu Fang; Takashi Murase; Sota Sato; Makoto Fujita","Noncovalent Tailoring of the Binding Pocket of Self-Assembled Cages by Remote Bulky Ancillary Groups","Journal of the American Chemical Society","2013","135","","613","615","10.1021/ja311373f","","","0.71073","MoKα","","0.0357","0.0341","","","0.09","0.0919","","","","","","1.09","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119214","8.619","0.0009","9.0133","0.0009","12.6557","0.0013","80.212","0.002","71.388","0.002","75.303","0.002","897","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H34 N2 O8 S2 -","- C40 H34 N2 O8 S2 -","- C40 H34 N2 O8 S2 -","1","1","","Hui Wang; Tao Jiang; Ming-Hua Xu","Simple Branched Sulfur-Olefins as Chiral Ligands for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Highly Enantioselective Construction of Tetrasubstituted Carbon Stereocenters","Journal of the American Chemical Society","2013","135","","971","974","10.1021/ja3110818","","","0.71073","MoKα","","0.0397","0.0368","","","0.097","0.1002","","","","","","1.05","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119248","8.5203","0.0002","9.0253","0.0003","9.8139","0.0003","84.4633","0.0017","86.7504","0.0017","85.1185","0.0016","747.53","0.04","93","2","93","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H43 B Cl F2 N3 O2 -","- C30 H43 B Cl F2 N3 O2 -","- C30 H43 B Cl F2 N3 O2 -","1","1","","Bin Dong; Tsuneaki Sakurai; Yoshihito Honsho; Shu Seki; Hiromitsu Maeda","Cation Modules as Building Blocks Forming Supramolecular Assemblies with Planar Receptor-Anion Complexes","Journal of the American Chemical Society","2013","135","","1284","1287","10.1021/ja312214a","","","1.54187","CuKα","","0.0772","0.0621","","","0.1379","0.1521","","","","","","0.993","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119451","10.078","0.004","10.294","0.004","15.787","0.006","73.466","0.004","73.382","0.004","82.855","0.004","1502.8","1","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C37 H27 Br O5 -","- C37 H27 Br O5 -","- C74 H54 Br2 O10 -","2","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0605","0.0454","","","0.1002","0.1058","","","","","","0.983","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119686","8.4208","0.0006","11.1142","0.0008","14.2048","0.001","92.386","0.003","97.506","0.003","98.759","0.003","1300.1","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","MB-V-47","complex7","","- C25 H30 F7 N O Rh Sb -","- C25 H30 F7 N O Rh Sb -","- C50 H60 F14 N2 O2 Rh2 Sb2 -","2","2","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0328","0.03","","","0.0681","0.0766","","","","","","1.087","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119729","8.2828","0.0008","8.5783","0.001","12.4406","0.0014","80.819","0.009","87.674","0.008","89.574","0.008","871.89","0.17","110","2","110","2","","","","","","","","3","P 1","P 1","1","","","","- C10 H16 O7 -","- C10 H16 O7 -","- C30 H48 O21 -","3","3","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","1.54178","CuKα","","0.0517","0.0423","","","0.1026","0.1075","","","","","","1.015","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119835","10.0402","0.0008","10.6867","0.0008","11.3007","0.0009","109.28","0.003","102.198","0.003","91.952","0.003","1111.58","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H51 Cl0.12 N10.88 O10.9 -","- C44 H51 Cl0.12 N10.88 O10.9 -","- C44 H51 Cl0.12 N10.88 O10.9 -","1","1","","Louis Adriaenssens; Carolina Estarellas; Andreas Vargas Jentzsch; Marta Martinez Belmonte; Stefan Matile; Pablo Ballester","Quantification of Nitrate-π Interactions and Selective Transport of Nitrate Using Calix[4]pyrroles with Two Aromatic Walls","Journal of the American Chemical Society","2013","135","","8324","8330","10.1021/ja4021793","","","0.71073","MoKα","","0.0442","0.0416","","","0.1145","0.1207","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120145","8.7931","0.0018","10.932","0.002","12.43","0.003","75.32","0.03","85.39","0.03","72.16","0.03","1100.3","0.5","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H35 Ir N3 O5.5 S -","- C40 H35 Ir N3 O5.5 S -","- C40 H35 Ir N3 O5.5 S -","1","1","","Liang-An Chen; Weici Xu; Biao Huang; Jiajia Ma; Lun Wang; Jianwei Xi; Klaus Harms; Lei Gong; Eric Meggers","Asymmetric Catalysis with an Inert Chiral-at-Metal Iridium Complex","Journal of the American Chemical Society","2013","135","","10598","10601","10.1021/ja403777k","","","0.71073","MoKα","","0.0372","0.0372","","","0.1017","0.1017","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120238","12.654","0.0018","16.041","0.002","20.114","0.003","90.701","0.008","105.291","0.008","104.722","0.008","3795.2","0.9","97","2","97","2","","","","","","","","5","P 1","P 1","1","","","","- C40.25 H45.5 Br N6 O9 -","- C38.25 H38 Br1.125 N6 O7.25 -","- C153 H152 Br4.5 N24 O29 -","4","4","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.1636","0.1384","","","0.386","0.3983","","","","","","1.514","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120260","7.2697","0.0004","9.0944","0.0005","9.758","0.0005","63.3821","0.0022","73.8095","0.002","80.3976","0.0023","553.23","0.05","100","2","100","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C20 H24 F5 N6 Nb O3 -","- C20 H24 F5 N6 Nb O3 -","- C20 H24 F5 N6 Nb O3 -","1","1","","Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier","Nonlinear Active Materials: An Illustration of Controllable Phase Matchability","Journal of the American Chemical Society","2013","135","","11942","11950","10.1021/ja4050604","","x-ray","0.71069","MoKα","","0.0383","0.0354","","","0.09","0.0927","","","","","","1.078","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120413","7.7457","0.001","9.8404","0.0012","10.4432","0.0013","79.17","0.006","74.612","0.006","70.558","0.005","719.34","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H53 N2 Ni O3 -","- C28 H56 N2 Ni O2 -","- C28 H56 N2 Ni O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.027","0.0252","","","0.0885","0.0911","","","","","","0.792","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120414","7.74","0.0007","9.8222","0.0009","10.4549","0.0009","79.22","0.004","74.838","0.004","70.499","0.004","718.79","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H51 Co N3 O2 -","- C28 H56 Co N2 O2 -","- C28 H56 Co N2 O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0304","0.0263","","","0.0929","0.0985","","","","","","0.812","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120416","7.7205","0.0008","9.8256","0.0011","10.5948","0.0012","80.459","0.005","76.204","0.005","70.773","0.005","733.64","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H53 Cr N6 O2 -","- C28 H55 Cr N2 O2 -","- C28 H55 Cr N2 O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0328","0.0303","","","0.092","0.0958","","","","","","0.612","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120575","16.7722","0.0002","20.9797","0.0006","23.1866","0.0003","89.038","0.004","72.648","0.003","81.321","0.005","7694.9","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","1","1","","Masai, Hiroshi; Terao, Jun; Seki, Shu; Nakashima, Shigeto; Kiguchi, Manabu; Okoshi, Kento; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of One-Dimensional Metal-Containing Insulated Molecular Wire with Versatile Properties Directed toward Molecular Electronics Materials.","Journal of the American Chemical Society","2014","136","5","1742","1745","10.1021/ja411665k","","","0.7107","MoKα","","","0.0612","","","","0.1765","","","","","","1.048","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120659","10.0512","0.0008","10.709","0.0009","11.1899","0.0009","109.207","0.002","102.04","0.002","93.042","0.002","1102.7","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","1","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0505","0.0476","","","0.1223","0.1246","","","","","","1.03","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120679","7.1747","0.0002","7.9625","0.0003","8.5502","0.0003","69.509","0.001","84.347","0.001","75.715","0.001","443.37","0.03","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 O6 P -","- C18 H21 O6 P -","- C18 H21 O6 P -","1","1","","Jang, Ki Po; Hutson, Gerri E.; Johnston, Ryne C.; McCusker, Elizabeth O.; Cheong, Paul H.-Y.; Scheidt, Karl A.","Asymmetric Homoenolate Additions to Acyl Phosphonates through Rational Design of a Tailored N-Heterocyclic Carbene Catalyst.","Journal of the American Chemical Society","2014","136","1","76","79","10.1021/ja410932t","","","1.54178","CuKα","","0.0283","0.0283","","","0.0757","0.0759","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120744","7.451","0.003","7.592","0.004","8.063","0.004","74.72","0.02","88.22","0.02","83.52","0.02","437.2","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","1","1","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0376","0.037","","","0.0969","0.0976","","","","","","1.062","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120795","6.1853","0.0002","7.5335","0.0003","16.1995","0.0006","91.001","0.007","92.437","0.007","90.097","0.007","754.05","0.05","93","","93","","","","","","","","","3","P 1","P 1","1","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C44 H24 S4 -","2","2","","Takamichi Mori; Takeshi Nishimura; Tatsuya Yamamoto; Iori Doi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Consecutive Thiophene-Annulation Approach to π-Extended Thienoacene-Based Organic Semiconductors with [1]Benzothieno[3,2-b][1]benzothiophene (BTBT) Substructure","Journal of the American Chemical Society","2013","135","","13900","13913","10.1021/ja406257u","","","1.54187","CuKα","","","0.0896","","","","0.1937","","","","","","1.433","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120846","8.8685","0.0015","11.5116","0.0018","12.3562","0.0017","84.247","0.005","82.647","0.005","80.286","0.005","1229.1","0.3","198","2","198","2","","","","","","","","6","P 1","P 1","1","ccs19feb`13","","","- C42 H90 Li4 N2 O2 Si2 -","- C42 H90 Li4 N2 O2 Si2 -","- C42 H90 Li4 N2 O2 Si2 -","1","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Mixed Aggregates of an Alkyl Lithium Reagent and a Chiral Lithium Amide Derived from N-Ethyl-O-triisopropylsilyl Valinol","Journal of the American Chemical Society","2013","135","","14367","14379","10.1021/ja406912h","","","0.71073","","","0.08","0.0753","","","0.2239","0.2268","","","","","","1.095","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120848","9.516","0.003","14.05","0.004","14.83","0.004","92.273","0.004","104.028","0.004","101.858","0.004","1874.2","0.9","183","2","183","2","","","","","","","","4","P 1","P 1","1","","","","- C75 H92 Br2 O23 -","- C75 H92 Br2 O23 -","- C75 H92 Br2 O23 -","1","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","0.71073","MoKα","","0.0797","0.0502","","","0.0895","0.1027","","","","","","0.975","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120854","7.1761","0.0015","10.402","0.002","10.811","0.002","97.229","0.003","101.48","0.003","107.079","0.003","741.2","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C40 H30 N2 O6 -","2","2","","Qing-Long Xu; Hongyin Gao; Muhammed Yousufuddin; Daniel H. Ess; László Kürti","Aerobic, Transition-Metal-Free, Direct, and Regiospecific Mono-α-arylation of Ketones: Synthesis and Mechanism by DFT Calculations","Journal of the American Chemical Society","2013","135","","14048","14051","10.1021/ja4074563","","","0.71073","MoKα","","0.0785","0.0732","","","0.2233","0.2307","","","","","","1.066","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120973","11.1951","0.0015","14.829","0.002","14.876","0.002","112.253","0.002","105.282","0.002","105.71","0.002","2005.9","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C87 H87 B F15 Mo N5 O6 -","- C87 H87 B F15 Mo N5 O6 -","- C87 H87 B F15 Mo N5 O6 -","1","1","","Matthew F. Cain; William P. Forrest; Dmitry V. Peryshkov; Richard R. Schrock; Peter Müller","Synthesis of a TREN in Which the Aryl Substituents are Part of a 45 Atom Macrocycle","Journal of the American Chemical Society","2013","135","","15338","15341","10.1021/ja408964g","","","0.71073","MoKα","","0.0678","0.0607","","","0.1629","0.1692","","","","","","1.05","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121004","9.4525","0.0003","9.9174","0.0003","11.0529","0.0003","76.636","0.002","74.816","0.001","82.599","0.001","970.32","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","2","","Abel Ros; Beatriz Estepa; Pedro Ramírez-López; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Dynamic Kinetic Cross-Coupling Strategy for the Asymmetric Synthesis of Axially Chiral Heterobiaryls","Journal of the American Chemical Society","2013","135","","15730","15733","10.1021/ja4087819","","","1.54178","CuKα","","0.0256","0.0254","","","0.0673","0.0675","","","","","","1.032","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121179","10.9223","0.0005","11.4201","0.0004","12.9602","0.0006","83.541","0.003","87.715","0.004","62.811","0.004","1428.7","0.12","183","2","183","2","","","","","","","","8","P 1","P 1","1","[99TcOCl(L2)2](PF6)2","","","- C18 H24 Cl F12 N8 O P2 Tc -","- C18 H24 Cl F12 N8 O P2 Tc -","- C36 H48 Cl2 F24 N16 O2 P4 Tc2 -","2","2","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.053","0.0447","","","0.0945","0.1013","","","","","","1.044","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121200","6.3104","0.0006","11.2957","0.001","11.5156","0.0011","113.259","0.006","97.63","0.006","94.944","0.006","738.74","0.13","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C33 H34 B Li N2 O6 -","- C33 H34 B Li N2 O6 -","- C33 H34 B Li N2 O6 -","1","1","","Takuya Hashimoto; Alberto Osuna Gálvez; Keiji Maruoka","In Situ Assembled Boronate Ester Assisted Chiral Carboxylic Acid Catalyzed Asymmetric Trans-Aziridinations","Journal of the American Chemical Society","2013","135","","17667","17670","10.1021/ja407764u","","","1.54187","CuKα","","","0.0747","","","","0.277","","","","","","1.092","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121255","12.5034","0.0016","14.2812","0.0018","16.244","0.002","85.326","0.002","78.118","0.002","78.408","0.002","2778.1","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","[2,2-binaphthol]","","","- C70 H61 N4 O4.5 Zn2 -","- C70 H61 N4 O4.5 Zn2 -","- C140 H122 N8 O9 Zn4 -","2","2","","Keith W. Bentley; Yea G. Nam; Jaslynn M. Murphy; Christian Wolf","Chirality Sensing of Amines, Diamines, Amino Acids, Amino Alcohols, and α-Hydroxy Acids with a Single Probe","Journal of the American Chemical Society","2013","135","","18052","18055","10.1021/ja410428b","","","0.71073","MoKα","","0.102","0.069","","","0.1606","0.176","","","","","","1.028","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4121298","8.8444","0.0016","15.2496","0.0024","12.7402","0.0023","89.935","0.019","110.35","0.003","89.9883","0.0026","1611.1","0.5","153.15","","153.15","","","","","","","","","4","P 1","P 1","1","","","","- B4 Be4 Na2 O11 -","- B4 Be4 Na2 O11 -","- B32 Be32 Na16 O88 -","8","8","","Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen","Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33","Journal of the American Chemical Society","2013","135","","18319","18322","10.1021/ja410543w","","x-ray","0.71069","MoKα","","0.0406","0.0349","","","0.0408","0.043","","","","1.18","1.18","1.14","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4121353","14.46","0.002","14.456","0.002","25.908","0.004","86.959","0.006","84.638","0.006","68.076","0.005","5001","1.3","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C114.5 H104 Ce Li3 O12 P2 -","- C114.5 H104 Ce Li3 O12 P2 -","- C229 H208 Ce2 Li6 O24 P4 -","2","2","","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","","0.037","0.0347","","","0.0899","0.0913","","","","","","1.081","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121367","11.727","0.003","11.746","0.003","15.471","0.004","81.252","0.004","72.971","0.004","60.415","0.004","1771.9","0.8","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H37 Cl N4 O -","- C43 H37 Cl N4 O -","- C86 H74 Cl2 N8 O2 -","2","2","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.0831","0.0801","","","0.2197","0.2225","","","","","","1.062","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121372","6.502","0.0012","7.522","0.0008","20.6532","0.0017","97.77","0.005","91.964","0.004","90.557","0.005","1000.1","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C44 H44 N4 O14 -","2","2","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","x-ray","1.54178","CuKα","K-L~3~","0.0281","0.027","","","0.0746","0.0762","","","","","","1.038","","","","has coordinates,has Fobs","179015","2020-10-21","18:00:00",""
"4121519","13.4034","0.0009","13.4037","0.0009","17.8225","0.0013","89.539","0.005","89.62","0.005","87.393","0.005","3198.4","0.4","110","","110","","","","","","","","","6","P 1","P 1","1","","","","- C30 H46 Br N O5 Si -","- C30 H46 Br N O5 Si -","- C120 H184 Br4 N4 O20 Si4 -","4","4","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","x-ray","1.54178","CuKα","","0.1063","0.0896","","","0.2171","0.2373","","","","","","1.089","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121529","7.5958","0.0006","8.2688","0.0009","9.8593","0.0009","74.385","0.009","72.833","0.008","83.76","0.008","569.53","0.1","125","2","125","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","1","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","1.54184","CuKα","","0.068","0.0611","","","0.1555","0.1639","","","","","","1.055","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121630","6.074","0.003","8.408","0.003","24.076","0.011","92.153","0.01","90.801","0.009","92.691","0.012","1227.2","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H29 Br O2 -","- C31 H29 Br O2 -","- C62 H58 Br2 O4 -","2","2","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.1272","0.0624","","","0.0976","0.1139","","","","","","1.014","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121631","7.354","0.003","8.433","0.003","9.291","0.003","71.877","0.007","79.797","0.007","69.628","0.008","511.8","0.3","97","2","97","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","1","1","","Li, Xiabing; Coldham, Iain","Synthesis of 1,1-Disubstituted Tetrahydroisoquinolines by Lithiation and Substitution, with in Situ IR Spectroscopy and Configurational Stability Studies.","Journal of the American Chemical Society","2014","136","15","5551","","10.1021/ja500485f","","","0.71073","MoKα","","0.0442","0.0422","","","0.1039","0.106","","","","","","0.925","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121940","6.3819","0.0013","9.1034","0.0018","9.7642","0.0019","108.882","0.003","103.887","0.003","95.759","0.003","511.18","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","1","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.0375","0.0334","","","0.0839","0.0881","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122407","9.1291","0.0013","10.2451","0.0015","13.7745","0.0017","101.548","0.004","93.004","0.004","100.111","0.004","1237.5","0.3","198","2","198","2","","","","","","","","5","P 1","P 1","1","ccs21feb13","","","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.047","0.0429","","","0.1118","0.116","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122409","8.9565","0.0018","10.492","0.002","18.558","0.005","89.85","0.04","82.26","0.04","65.3","0.03","1567.1","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","ccs11dec12","","","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.1767","0.0992","","","0.1818","0.2054","","","","","","1.085","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4122620","4.8784","0.0008","10.6424","0.0017","15.881","0.003","99.955","0.002","96.953","0.002","90.633","0.002","805.7","0.2","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H12 Cl2 F3 N O5 -","- C14 H12 Cl2 F3 N O5 -","- C28 H24 Cl4 F6 N2 O10 -","2","2","","Lu, Deng-Fu; Zhu, Cheng-Liang; Jia, Zhen-Xin; Xu, Hao","Iron(II)-catalyzed intermolecular amino-oxygenation of olefins through the N-O bond cleavage of functionalized hydroxylamines.","Journal of the American Chemical Society","2014","136","38","13186","13189","10.1021/ja508057u","","","0.71073","MoKα","","0.0563","0.0495","","","0.1187","0.1238","","","","","","1.041","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122623","13.0122","0.0005","14.2187","0.0006","18.003","0.0007","97.033","0.002","108.039","0.002","115.166","0.002","2738.7","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","3_[(PhPBP)Ni]","","","- C64 H56 B2 N4 Ni2 P4 -","- C64 H56 B2 N4 Ni2 P4 -","- C128 H112 B4 N8 Ni4 P8 -","2","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.057","0.0409","","","0.0772","0.0933","","","","","","1.001","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122654","16.068","0.004","18.326","0.004","35.252","0.008","80.336","0.003","85.481","0.003","77.775","0.003","9991","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82.18 N12 O22.17 S4 -","- C54.0047 H82.176 N12 O22.1617 S3.99833 -","- C324.028 H493.056 N72 O132.97 S23.99 -","6","6","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1709","0.1099","","","0.2799","0.3016","","","","","","1.129","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122656","12.043","0.005","15.891","0.006","34.087","0.013","84.671","0.005","87.393","0.005","83.725","0.004","6452","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82 N12 O17 S4 -","- C54 H82 N12 O17 S4 -","- C216 H328 N48 O68 S16 -","4","4","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.2252","0.1405","","","0.3221","0.3487","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122680","8.92385","0.00016","14.6411","0.0003","21.3047","0.0003","91.8823","0.0015","100.599","0.0014","104.132","0.0017","2644.42","0.09","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C106.8 H93.6 F24 N12 O3.6 Pt4 Sb4 -","4","4","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","0.71073","MoKα","","0.0427","0.0338","","","0.0854","0.0871","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122749","12.7976","0.0013","13.3807","0.0013","13.8252","0.0014","96.816","0.002","106.05","0.002","117.22","0.002","1938.2","0.3","296","2","296","2","","","","","","","","10","P 1","P 1","1","","","","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","1","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","","0.71073","MoKα","","0.0508","0.0434","","","0.1133","0.1203","","","","","","1.073","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122853","6.7128","0.0002","9.2273","0.0004","22.4255","0.0009","86.47","0.002","83.099","0.0014","89.5329","0.0017","1376.38","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H41 N O -","- C34 H41 N O -","- C68 H82 N2 O2 -","2","2","","Zhu, Shaolin; Buchwald, Stephen L.","Enantioselective CuH-Catalyzed Anti-Markovnikov Hydroamination of 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2014","","","141029103858000","","10.1021/ja509786v","","","1.54178","CuKα","","0.0309","0.0305","","","0.0838","0.0841","","","","","","1.066","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122885","7.1607","0.0008","10.3859","0.0011","11.0559","0.0012","109.592","0.002","102.758","0.002","94.887","0.002","744.07","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C28 H42 N2 O4 S2 -","2","2","","Yu, Chang-Bin; Huang, Wen-Xue; Shi, Lei; Chen, Mu-Wang; Wu, Bo; Zhou, Yong-Gui","Asymmetric Hydrogenation via Capture of Active Intermediates Generated from Aza-Pinacol Rearrangement.","Journal of the American Chemical Society","2014","","","141103063712008","","10.1021/ja5075745","","","0.71073","MoKα","","0.0558","0.0471","","","0.1264","0.1348","","","","","","1.022","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122939","15.7472","0.001","16.1193","0.0013","16.2046","0.0012","119.442","0.004","100.225","0.003","92.957","0.004","3478.6","0.5","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C66 H54 Br6 N6 O12 -","- C66 H54 Br6 N6 O12 -","- C132 H108 Br12 N12 O24 -","2","2","","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","","0.1084","0.0968","","","0.2768","0.2928","","","","","","1.278","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122940","15.7342","0.0006","16.0668","0.0006","16.1856","0.0006","119.55","0.0016","100.205","0.0018","92.9355","0.0018","3457","0.2","100","2","99.97","","","","","","","","","5","P 1","P 1","1","","","","- C66 H54 Br6 N6 O12 -","- C66 H54 Br6 N6 O12 -","- C132 H108 Br12 N12 O24 -","2","2","","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","","0.0543","0.0525","","","0.1458","0.1478","","","","","","1.057","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122943","7.6581","0.0005","10.9491","0.0008","11.8918","0.0009","76.1231","0.0019","82.045","0.003","70.7134","0.0018","911.78","0.11","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C38 H38 Br2 O4 -","2","2","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0588","","","","0.1599","","","","","","1.134","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122944","7.8581","0.0012","7.9046","0.0012","11.4343","0.0019","74.344","0.004","87.755","0.004","65.93","0.003","622.39","0.17","123","","123","","","","","","","","","3","P 1","P 1","1","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","2","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0352","","","","0.1065","","","","","","1.086","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123012","7.5365","0.0003","9.4101","0.0003","10.7721","0.0003","93.659","0.002","108.172","0.003","100.009","0.003","709.09","0.04","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","1","1","","Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément","Scope and Mechanism in Palladium-Catalyzed Isomerizations of Highly Substituted Allylic, Homoallylic, and Alkenyl Alcohols.","Journal of the American Chemical Society","2014","","","141121132216006","","10.1021/ja508736u","","","1.54184","CuKα","","0.0201","0.0201","","","0.0534","0.0534","","","","","","0.934","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123031","5.8864","0.0003","9.254","0.0006","12.6617","0.0007","104.549","0.002","95.9357","0.0014","105.233","0.0015","633.46","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C26 H41 N O4 S -","1","1","","Trost, Barry M.; Ryan, Michael C.; Rao, Meera; Markovic, Tim Z.","Construction of Enantioenriched [3.1.0] Bicycles via a Ruthenium-Catalyzed Asymmetric Redox Bicycloisomerization Reaction.","Journal of the American Chemical Society","2014","","","141203130348009","","10.1021/ja510968h","","","1.54184","CuKα","","0.025","0.0249","","","0.0627","0.0628","","","","","","1.079","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123156","5.6349","0.0007","12.3583","0.0015","15.003","0.002","113.201","0.004","93.127","0.004","99.011","0.004","940.6","0.2","100","0.2","100","0.2","","","","","","","","5","P 1","P 1","1","(3S,5S)-tert-butyl 3-((4-bromophenyl)carbamoyl)-5-ethoxyisoxazolidine-2-carboxylate","(3S,5S)-tert-butyl 3-((4-bromophenyl)carbamoyl)-5-ethoxyisoxazolidine-2-carboxylate","","- C17 H23 Br N2 O5 -","- C17 H23 Br N2 O5 -","- C34 H46 Br2 N4 O10 -","2","2","","Murar, Claudia E.; Thuaud, Frédéric; Bode, Jeffrey W.","KAHA Ligations That Form Aspartyl Aldehyde Residues as Synthetic Handles for Protein Modification and Purification.","Journal of the American Chemical Society","2014","","","141215094849001","","10.1021/ja511231f","","x-ray","0.71073","MoKα","","0.0695","0.0427","","","0.0698","0.0776","","","","","","0.873","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123160","8.157","0.0013","8.8163","0.0013","9.1728","0.0015","61.817","0.004","75.861","0.004","78.188","0.004","560.75","0.15","100","2","100","2","","","","","","","","2","P 1","P 1","1","","","","- C16 H15 -","- C16 H15 -","- C32 H30 -","2","2","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.1255","0.0606","","","0.1705","0.2669","","","","","","0.93","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123289","9.13579","0.00017","9.5659","0.0002","10.284","0.0002","72.9196","0.0019","89.0425","0.0017","69.5115","0.0018","801.03","0.03","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","1","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0247","0.0246","","","0.0628","0.0628","","","","","","1.063","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123415","7.4326","0.0013","8.4705","0.0015","8.8458","0.0015","74.143","0.003","74.315","0.003","83.209","0.003","515.18","0.16","130","","130","","","","","","","","","6","P 1","P 1","1","","","","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","1","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","0.71073","MoKα","","0.0409","0.0311","","","0.062","0.065","","","","","","0.806","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123523","7.7594","0.0004","8.0085","0.0004","8.9723","0.0004","104.122","0.003","93.894","0.003","90.639","0.003","539.23","0.05","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","1","1","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.0513","0.038","","","0.0702","0.0732","","","","","","0.926","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123576","6.7268","0.0007","12.1525","0.001","14.3989","0.0015","75.871","0.002","85.192","0.004","89.437","0.003","1137.38","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Br F13 O3 -","- C20 H14 Br F13 O3 -","- C40 H28 Br2 F26 O6 -","2","2","","Woźniak, Łukasz; Murphy, John J.; Melchiorre, Paolo","Photo-organocatalytic Enantioselective Perfluoroalkylation of β-Ketoesters.","Journal of the American Chemical Society","2015","137","17","5678","5681","10.1021/jacs.5b03243","","","0.71073","MoKα","","0.0307","0.0285","","","0.0778","0.0869","","","","","","1.087","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123597","11.0717","0.0008","11.9119","0.0008","13.5265","0.001","106.994","0.001","111.832","0.001","102.475","0.001","1473.95","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","1","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0251","0.0234","","","0.0604","0.061","","","","","","0.975","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123604","11.0724","0.0003","11.5867","0.0003","12.3676","0.0004","110.731","0.003","105.499","0.003","99.599","0.002","1368.53","0.08","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","1","1","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","1.54178","CuKα","","0.0213","0.0212","","","0.0556","0.0556","","","","","","1.029","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123617","8.5302","0.0006","8.5902","0.0006","16.1582","0.0012","89.309","0.006","78.004","0.006","68.812","0.006","1077.28","0.14","299","6","299","6","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethiyammonium hydrate","","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","1","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0473","0.0423","","","0.1136","0.1186","","","","","","1.069","","","","has coordinates,has disorder","138217","2020-10-21","18:00:00",""
"4123618","8.4752","0.0003","8.4797","0.0003","16.1725","0.0005","78.177","0.003","89.232","0.003","69.334","0.003","1062.21","0.07","120.05","0.1","120.05","0.1","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethylammonium","","- C12 H17 Li2 N2 O16.5 Zr -","- C12 H17 Li2 N2 O16.5 Zr -","- C24 H34 Li4 N4 O33 Zr2 -","2","2","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0532","0.0459","","","0.135","0.1517","","","","","","1.085","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123771","7.5486","0.0015","16.115","0.003","17.618","0.004","102.73","0.03","94.37","0.03","100.05","0.03","2043.7","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H15 F15 Ge N4 O2 -","- C39 H15 F15 Ge N4 O2 -","- C78 H30 F30 Ge2 N8 O4 -","2","2","","Fang, Huayi; Jing, Huize; Ge, Haonan; Brothers, Penelope J.; Fu, Xuefeng; Ye, Shengfa","The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","22","7122","7127","10.1021/jacs.5b01121","","","0.71073","MoKα","","0.0698","0.0666","","","0.1714","0.1757","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123815","7.8679","0.0004","12.1091","0.0006","14.4027","0.0008","100.757","0.004","96.057","0.005","107.155","0.004","1269.12","0.12","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H30 B2 N2 -","- C30 H30 B2 N2 -","- C60 H60 B4 N4 -","2","2","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","0.71073","MoKα","","0.0599","0.0377","","","0.0918","0.107","","","","","","1.023","","","","has coordinates,has disorder","140120","2020-10-21","18:00:00",""
"4123851","12.291","0.002","12.302","0.002","15.856","0.003","89.987","0.004","89.989","0.004","81.769","0.004","2372.8","0.7","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C52 H40 F6 Fe N4 O6 S2 -","- C52 H40 F6 Fe N4 O6 S2 -","- C104 H80 F12 Fe2 N8 O12 S4 -","2","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.029","","","","0.028","","","","","","2.749","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123884","12.2185","0.0013","12.8189","0.0013","13.534","0.0015","104.662","0.005","90.032","0.005","118.35","0.005","1786.6","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- F6 K8 Mn Na O76 W17 -","- F6 K8 Mn0.999 Na O76 W17.001 -","- F6 K8 Mn0.999 Na O76 W17.001 -","1","1","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0373","0.0359","","","0.0875","0.0884","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123999","11.0342","","11.0342","","11.8797","","90","","90","","90","","1446.4","","","","","","","","","","","","","4","P 1","P 1","1","","H2 Si Ti2 O7 (H2 O)2","","- H6 O9 Si Ti2 -","- H6 O9 Si Ti2 -","- H48 O72 Si8 Ti16 -","8","8","","Celestian, A.J.; Kubicki, J.D.; Parise, J.B.; Clearfield, A.; Hanson, J.","The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate","Journal of the American Chemical Society","2008","130","","11689","11694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124000","11.0342","","11.0342","","11.8797","","90","","90","","90","","1446.4","","","","","","","","","","","","","5","P 1","P 1","1","","Cs1 H Si Ti2 O7 (H2 O)","","- Cs H3 O8 Si Ti2 -","- Cs H3 O8 Si Ti2 -","- Cs8 H24 O64 Si8 Ti16 -","8","8","","Celestian, A.J.; Kubicki, J.D.; Hanson, J.; Parise, J.B.; Clearfield, A.","The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate","Journal of the American Chemical Society","2008","130","","11689","11694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124104","4.3392","","4.3483","","21.8438","","90","","95.679","","90","","410.129","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Sm2 Te4.9 -","- Sm2 Te4.902 -","- Sm4 Te9.804 -","2","2","","Malliakas, C.D.; Iavarone, M.; Fedor, J.; Kanatzidis, M.G.","Coexistence and coupling of two distinct charge density waves in Sm2 Te5","Journal of the American Chemical Society","2008","130","","3310","3312","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124117","9.115429","","9.115429","","8.8639","","81.3651","","98.6349","","69.0757","","663.38","","","","","","","","","","","","","2","P 1","P 1","1","","Si O2","","- O2.33333 Si -","- O2.33333 Si -","- O14 Si6 -","6","6","","Zicovich-Wilson, C.M.; Durand-Niconoff, J.S.; San-Roman, M.L.; Camblor, M.A.; Pascale, F.","Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations","Journal of the American Chemical Society","2007","129","","11512","11523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124118","9.208837","","9.174551","","8.984374","","81.0227","","98.2014","","68.4861","","680.826","","","","","","","","","","","","","2","P 1","P 1","1","","Si O2","","- O2 Si -","- O2 Si -","- O24 Si12 -","12","12","","Zicovich-Wilson, C.M.; San-Roman, M.L.; Camblor, M.A.; Pascale, F.; Durand-Niconoff, J.S.","Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations","Journal of the American Chemical Society","2007","129","","11512","11523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124255","11.374","0.0006","12.3617","0.0006","15.9539","0.0011","104.163","0.007","100.372","0.007","103.601","0.008","2045.7","0.2","203","2","203","2","","","","","","","","3","P 1","P 1","1","","(2R,4aR,9aS,10R,10aR)-10-(benzyloxy)-7-methylene-2- phenyloctahydro-4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","4","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","1.54187","CuKα","","0.071","0.045","","","0.0972","0.1354","","","","","","1.19","","","","has coordinates","154664","2020-10-21","18:00:00",""
"4124334","13.3551","0.0011","13.3626","0.0009","18.1872","0.0012","106.141","0.008","106.275","0.008","93.457","0.007","2959","0.4","93","","93","","","","","","","","","6","P 1","P 1","1","","","","- C30 H41 N O5 S Si -","- C30 H41 N O5 S Si -","- C120 H164 N4 O20 S4 Si4 -","4","4","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","0.71075","MoKα","","0.0762","0.0678","","","0.1705","0.1794","","","","","","1.034","","","","has coordinates","154236","2020-10-21","18:00:00",""
"4124360","5.29851","0.0001","10.6425","0.0002","22.9174","0.0005","97.3625","0.0011","96.2287","0.0011","90.2865","0.001","1273.84","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cl N O3 -","- C28 H38 Cl N O3 -","- C56 H76 Cl2 N2 O6 -","2","2","","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","","0.0281","0.0262","","","0.0624","0.0633","","","","","","1.029","","","","has coordinates","154256","2020-10-21","18:00:00",""
"4124403","5.8957","0.0009","10.6844","0.0016","12.4428","0.0019","96.538","0.004","102.138","0.004","90.841","0.004","760.7","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C30 H44 O10 -","2","2","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","1.54178","CuKα","","0.0516","0.051","","","0.1485","0.1506","","","","","","1.062","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124412","7.5739","0.0003","10.7023","0.0003","14.555","0.0004","84.447","0.003","87.768","0.003","89.571","0.003","1173.37","0.07","180","2","180","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H42 O2 -","- C26 H42 O2 -","- C52 H84 O4 -","2","2","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0476","0.0442","","","0.1219","0.1266","","","","","","1.05","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124497","15.62","","7.81","","12.932","","90","","90","","90","","1577.6","","","","","","","","","","","","","3","P 1","P 1","1","","(Sr (Ti O3)) (Ti O2)","","- O5 Sr Ti2 -","- O5 Sr Ti2 -","- O40 Sr8 Ti16 -","8","8","","Erdman, N.; Warschkow, O.; Asta, M.; Ellis, D.E.; Poeppelmeier, K.R.; Marks, L.D.","Surface structures of Sr Ti O3 (001): A (Ti O2)-rich reconstruction with a c(4 X 2) unit cell","Journal of the American Chemical Society","2003","125","","10050","10056","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124498","15.62","","7.81","","12.932","","90","","90","","90","","1577.6","","","","","","","","","","","","","2","P 1","P 1","1","","Ti O2","","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","8","","Erdman, N.; Asta, M.; Warschkow, O.; Ellis, D.E.; Poeppelmeier, K.R.; Marks, L.D.","Surface structures of Sr Ti O3 (001): A (Ti O2)-rich reconstruction with a c(4 X 2) unit cell","Journal of the American Chemical Society","2003","125","","10050","10056","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124516","14.926","","10.13","","10.95","","90","","96.111","","90","","1646.24","","","","","","","","","","","","","2","P 1","P 1","1","","Eu2.73 C70","","- C70 Eu2.73 -","- C70 Eu2.731 -","- C140 Eu5.462 -","2","2","","Takenobu, T.; Chi, D.H.; Kato, K.-I.; Prassides, K.; Margadonna, S.; Fitch, A.N.; Kubozono, Y.; Iwasa, Y.","Synthesis, structure and magnetic properties of the fullerene-based ferromagnets Eu3 C70 and Eu9 C70","Journal of the American Chemical Society","2003","125","","1897","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","157842","2020-10-21","18:00:00",""
"4124596","8.9891","0.0002","9.6537","0.0002","10.6551","0.0008","72.352","0.005","73.504","0.005","63.788","0.004","778.24","0.07","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H9 Br3 N2 O2 -","- C15 H9 Br3 N2 O2 -","- C30 H18 Br6 N4 O4 -","2","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0401","0.0396","","","0.1047","0.1053","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124605","6.146","0.0006","10.9394","0.0012","15.1016","0.0016","92.691","0.004","96.952","0.005","106.391","0.005","963.39","0.18","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H28 O3 S -","- C19 H28 O3 S -","- C38 H56 O6 S2 -","2","2","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0895","0.0508","","","0.106","0.1218","","","","","","1.013","","","","has coordinates","159599","2020-10-21","18:00:00",""
"4124718","6.2827","0.0006","7.1127","0.0006","12.6469","0.0013","91.304","0.007","91.32","0.007","115.381","0.004","510.13","0.09","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C21 H38 O6 -","- C21 H38 O6 -","- C21 H38 O6 -","1","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","","0.0453","0.041","","","0.1042","0.107","","","","","","1.064","","","","has coordinates,has disorder","170074","2020-10-21","18:00:00",""
"4124761","10.565","0.0005","13.5339","0.0006","14.0295","0.0006","94.545","0.001","106.021","0.001","102.985","0.001","1857.31","0.15","173","2","173","2","","","","","","","","6","P 1","P 1","1","14105f","","","- C34 H54 Cu N3 Na O5 -","- C34 H54 Cu N3 Na O5 -","- C68 H108 Cu2 N6 Na2 O10 -","2","2","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","0.71073","MoKα","","0.0525","0.0469","","","0.1262","0.1301","","","","","","1.023","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4124773","18.23818","","18.23818","","10.212","","90","","90","","56.3717","","2828.36","","","","","","","","","","","","","8","P 1","P 1","1","","(Rb2 Ga9 (P O4)8 (H P O4) F7) (H2 C6 H12 (N H2)2)2 (H2 O)4.5","","- C12 H46 F7 Ga9 N4 O40.5 P9 Rb2 -","- C12 H46 F7 Ga9 N4 O40.5 P9 Rb2 -","- C24 H92 F14 Ga18 N8 O81 P18 Rb4 -","2","2","","Beitone, L.; Marrot, J.; Taulelle, F.; Loiseau, T.; Henry, M.; Huguenard, C.; Ferey, G.; Gansmuller, A.","MIL-50, an open-framework Ga P O with a periodic pattern of small water ponds and dry rubidium atoms: a combined XRD, NMR and computational study","Journal of the American Chemical Society","2003","125","","1912","1922","","","","","","","","","","","","","","","","","","","","","","has coordinates","172612","2020-10-21","18:00:00",""
"4125069","9.548","0.002","10.705","0.003","12.059","0.003","87.745","0.003","67.638","0.002","83.773","0.003","1133.1","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H23 F3 N O5 P -","- C22 H23 F3 N O5 P -","- C44 H46 F6 N2 O10 P2 -","2","2","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0396","0.0395","","","0.1029","0.103","","","","","","1.038","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125195","11.97","0.002","12.297","0.002","17.763","0.003","80.063","0.005","76.452","0.005","82.123","0.006","2491","0.7","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H54 B Li N4 O -","- C34 H54 B Li N4 O -","- C102 H162 B3 Li3 N12 O3 -","3","3","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1638","0.0873","","","0.1739","0.2179","","","","","","1.016","","","","has coordinates,has disorder","187921","2020-10-21","18:00:00",""
"4125214","13.6582","0.0007","13.9202","0.0007","15.6235","0.0009","93.585","0.002","89.976","0.002","118.879","0.0017","2594.4","0.2","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","1","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0989","0.0936","","","0.2476","0.2555","","","","","","1.046","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125338","11.9119","0.0013","15.619","0.0017","16.4598","0.0017","86.532","0.002","89.527","0.002","88.976","0.002","3056.2","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H45 N5 O7 -","- C26 H45 N5 O7 -","- C104 H180 N20 O28 -","4","4","","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","","","0.7749","Synchrotron","","0.081","0.0526","","","0.1115","0.1219","","","","","","1.063","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125351","5.8475","0.0002","11.4463","0.0004","26.2716","0.0008","83.314","0.002","84.006","0.002","78.952","0.002","1708","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H49 N5 O7 -","- C32 H49 N5 O7 -","- C64 H98 N10 O14 -","2","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","","","0.7749","Synchrotron","","0.0606","0.042","","","0.0815","0.0879","","","","","","1.017","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125355","10.2959","0.0007","10.4853","0.0007","14.9355","0.001","94.868","0.002","100.913","0.002","90.106","0.003","1577.24","0.18","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H46 N6 O6 S -","- C28 H46 N6 O6 S -","- C56 H92 N12 O12 S2 -","2","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","","0.0751","0.0628","","","0.1551","0.1684","","","","","","1.017","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125397","11.1773","0.0005","12.6727","0.0006","18.2164","0.0011","100.992","0.004","97.611","0.004","91.693","0.003","2506.7","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21.38 H32.5 B N4 O6.38 -","- C21.375 H32.5 B N4 O6.375 -","- C85.5 H130 B4 N16 O25.5 -","4","4","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.","Journal of the American Chemical Society","2017","139","2","871","878","10.1021/jacs.6b11115","","","1.54178","CuKα","","0.125","0.0905","","","0.2294","0.2604","","","","","","0.976","","","","has coordinates","193506","2020-10-21","18:00:00",""
"4125450","9.157","0.0003","9.4895","0.0003","20.4389","0.0006","93.5118","0.0009","100.858","0.0009","97.4709","0.001","1722.72","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H35 Cl6 N3 O6 S -","- C32 H35 Cl6 N3 O6 S -","- C64 H70 Cl12 N6 O12 S2 -","2","2","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.71073","MoKα","","0.0403","0.0353","","","0.0909","0.1049","","","","","","1.086","","","","has coordinates,has disorder","193508","2020-10-21","18:00:00",""
"4125564","10.1456","0.0006","14.9723","0.0008","17.5828","0.0009","65.938","0.005","87.435","0.004","88.087","0.004","2436","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H28 I2 N8 O8 S6 -","- C36 H28 I2 N8 O8 S6 -","- C72 H56 I4 N16 O16 S12 -","2","2","","Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao","C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.","Journal of the American Chemical Society","2017","139","19","6605","6610","10.1021/jacs.6b13171","","","1.54184","CuKα","","0.0883","0.0744","","","0.1959","0.2071","","","","","","1.048","","","","has coordinates,has disorder","197417","2020-10-21","18:00:00",""
"4125611","10.1353","0.0009","11.9253","0.001","13.8345","0.0012","88.869","0.001","80.361","0.001","79.359","0.001","1620.1","0.2","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H35 Br O6 -","- C40 H35 Br O6 -","- C80 H70 Br2 O12 -","2","2","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","0.71073","MoKα","","0.0258","0.0245","","","0.0658","0.0672","","","","","","1.019","","","","has coordinates,has disorder","192873","2020-10-21","18:00:00",""
"4125612","10.1374","0.0009","11.9207","0.0011","13.8316","0.0012","88.822","0.001","80.47","0.001","79.419","0.001","1620.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H35 Br O6 -","- C40 H35 Br O6 -","- C80 H70 Br2 O12 -","2","2","","Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif","Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b12654","","","0.71073","MoKα","","0.0312","0.0287","","","0.0773","0.0803","","","","","","1.018","","","","has coordinates,has disorder","192874","2020-10-21","18:00:00",""
"4125637","6.369","0.0003","14.0432","0.0006","15.4534","0.0006","68.518","0.001","89.229","0.001","77.501","0.001","1252.37","0.09","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","2","","Ding, Wei; Lu, Liang-Qiu; Zhou, Quan-Quan; Wei, Yi; Chen, Jia-Rong; Xiao, Wen-Jing","Bifunctional Photocatalysts for Enantioselective Aerobic Oxidation of β-Ketoesters.","Journal of the American Chemical Society","2017","139","1","63","66","10.1021/jacs.6b11418","","","1.54178","CuKα","","0.033","0.0327","","","0.0906","0.091","","","","","","1.005","","","","has coordinates","193034","2020-10-21","18:00:00",""
"4125689","7.9193","0.0011","8.1426","0.0012","10.5945","0.0018","104.903","0.004","109.324","0.003","99.177","0.003","600.17","0.16","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C12 H11 F3 O2 S -","- C12 H11 F3 O2 S -","- C24 H22 F6 O4 S2 -","2","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","0.71073","MoKα","","0.039","0.0335","","","0.0794","0.0829","","","","","","1.025","","","","has coordinates,has disorder","193086","2020-10-21","18:00:00",""
"4125727","10.322","0.002","13.409","0.003","13.848","0.003","106.575","0.003","108.044","0.003","95.5983","0.0012","1709.9","0.6","253","2","253","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H37 Mn O2 P2 -","- C39 H37 Mn O2 P2 -","- C78 H74 Mn2 O4 P4 -","2","2","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0346","0.0302","","","0.0748","0.083","","","","","","1.034","","","","has coordinates","193106","2020-10-21","18:00:00",""
"4125734","10.983","0.0012","11.4243","0.0012","13.3626","0.0014","66.668","0.002","83.965","0.002","88.252","0.002","1530.9","0.3","100","","100","","","","","","","","dichloromethane,pentane","9","P 1","P 1","1","","Title","","- C55.5 H49 Au Cl2 F18 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","- C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb -","1","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","","0.0598","0.047","","","0.1046","0.1113","","","","","","1.016","","","","has coordinates,has disorder","193113","2020-10-21","18:00:00",""
"4125930","10.58","0.002","10.675","0.002","15.627","0.004","108.388","0.005","92.418","0.003","90.015","0.004","1673.2","0.6","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C34 H40 B N4 O4 P S -","- C34 H40 B N4 O4 P S -","- C68 H80 B2 N8 O8 P2 S2 -","2","2","","Lin, Yi-Chun; Hatzakis, Emmanuel; McCarthy, Sean M.; Reichl, Kyle D.; Lai, Ting-Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","P-N Cooperative Borane Activation and Catalytic Hydroboration by a Distorted Phosphorous Triamide Platform.","Journal of the American Chemical Society","2017","139","16","6008","6016","10.1021/jacs.7b02512","","","0.71073","MoKα","","0.1176","0.0879","","","0.1906","0.2168","","","","","","1.111","","","","has coordinates","197423","2020-10-21","18:00:00",""
"4126023","10.9086","0.0002","15.7319","0.0003","17.5116","0.0004","83.6115","0.0016","79.6903","0.0015","70.5894","0.0015","2784.3","0.1","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","","","- C55.5 H49.5 N7.5 O13.5 -","- C55.5 H49.5 N7.5 O13.5 -","- C111 H99 N15 O27 -","2","2","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0789","0.0593","","","0.1475","0.1601","","","","","","0.971","","","","has coordinates,has disorder","197415","2020-10-21","18:00:00",""
"4126041","16.2209","0.0004","16.867","0.0005","36.8707","0.0009","79.205","0.002","81.682","0.001","88.126","0.002","9804.8","0.5","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C351.35 H440.52 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","- C351.34 H440.51 Cl12 N64.17 O73.75 S12 -","1","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.1195","0.0748","","","0.1902","0.226","","","","","","1.01","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126062","6.4628","0.0003","12.406","0.0005","13.1362","0.0006","70.445","0.001","86.393","0.001","76.913","0.001","966.61","0.07","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","2","","Kawamata, Yu; Yan, Ming; Liu, Zhiqing; Bao, Deng-Hui; Chen, Jinshan; Starr, Jeremy T.; Baran, Phil S.","Scalable, Electrochemical Oxidation of Unactivated C-H Bonds.","Journal of the American Chemical Society","2017","139","22","7448","7451","10.1021/jacs.7b03539","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0292","","","0.0823","0.0824","","","","","","1.052","","","","has coordinates,has disorder","200664","2020-10-21","18:00:00",""
"4126114","6.9466","0.0005","7.5493","0.0005","13.1221","0.0009","97.113","0.002","100.141","0.002","104.254","0.002","646.39","0.08","200","","200","","","","","","","","","4","P 1","P 1","1","","","","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","- C32 H24 N4 O8 -","1","1","","Kim, Dong Jun; Hermann, Keith R.; Prokofjevs, Aleksandrs; Otley, Michael T.; Pezzato, Cristian; Owczarek, Magdalena; Stoddart, J. Fraser","Redox-Active Macrocycles for Organic Rechargeable Batteries.","Journal of the American Chemical Society","2017","139","19","6635","6643","10.1021/jacs.7b01209","","","1.54178","CuKα","","0.0244","0.0242","","","0.0674","0.0676","","","","","","1.06","","","","has coordinates","197256","2020-10-21","18:00:00",""
"4126127","8.9044","0.0015","10.1505","0.0017","11.649","0.002","84.652","0.004","70.657","0.003","67.909","0.003","919.9","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F N O2 S -","- C21 H20 F N O2 S -","- C42 H40 F2 N2 O4 S2 -","2","2","","Wang, Dinghai; Wu, Lianqian; Wang, Fei; Wan, Xiaolong; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Asymmetric Copper-Catalyzed Intermolecular Aminoarylation of Styrenes: Efficient Access to Optical 2,2-Diarylethylamines.","Journal of the American Chemical Society","2017","139","20","6811","6814","10.1021/jacs.7b02455","","","0.71073","MoKα","","0.0648","0.0583","","","0.1534","0.1616","","","","","","1.046","","","","has coordinates","197268","2020-10-21","18:00:00",""
"4126179","8.9239","0.0008","8.9564","0.0009","10.7523","0.001","83.181","0.003","71.363","0.003","67.662","0.003","753.21","0.13","113","","113","","","","","","","","","5","P 1","P 1","1","","","","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","- C28 H40 Cl4 N2 Nb -","1","1","","Nishiyama, Haruka; Ikeda, Hideaki; Saito, Teruhiko; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Structural and Electronic Noninnocence of α-Diimine Ligands on Niobium for Reductive C-Cl Bond Activation and Catalytic Radical Addition Reactions.","Journal of the American Chemical Society","2017","139","18","6494","6505","10.1021/jacs.7b02710","","","0.71075","MoKα","","0.0757","0.0608","","","0.1589","0.1865","","","","","","1.01","","","","has coordinates","197303","2020-10-21","18:00:00",""
"4126373","11.2332","0.0015","13.4974","0.0018","13.5685","0.0018","99.429","0.003","103.897","0.002","101.439","0.002","1908.4","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","cmh_sp_1027","","","- C70 H68 Au2 Cl2 F12 N6 O2 -","- C70 H68 Au2 Cl2 F12 N6 O2 -","- C70 H68 Au2 Cl2 F12 N6 O2 -","1","1","","Niemeyer, Zachary L.; Pindi, Suresh; Khrakovsky, Dimitri A.; Kuzniewski, Christian N.; Hong, Cynthia M.; Joyce, Leo A.; Sigman, Matthew S.; Toste, F. Dean","Parameterization of Acyclic Diaminocarbene Ligands Applied to a Gold(I)-Catalyzed Enantioselective Tandem Rearrangement/Cyclization","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08791","","","0.71073","MoKα","","0.0477","0.0462","","","0.1116","0.1129","","","","","","1.07","","","","has coordinates","200370","2020-10-21","18:00:00",""
"4126642","12.5961","0.0012","15.6929","0.0016","16.3566","0.0017","78.446","0.003","84.586","0.003","88.562","0.003","3153.5","0.5","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C70 H96 N2 -","- C70 H96 N2 -","- C140 H192 N4 -","2","2","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","A Crystalline Monomeric Allenyl/Propargyl Radical.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09622","","x-ray","0.71073","MoKα","","0.1402","0.1063","","","0.2914","0.3244","","","","","","1.299","","","","has coordinates,has disorder","202304","2020-10-21","18:00:00",""
"4126691","9.241","0.0017","10.377","0.002","11.494","0.002","103.354","0.005","91.074","0.005","105.323","0.005","1030.5","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C47 H54 Au Cl3 N O2 P -","- C47 H48 Au Cl3 N O2 P -","- C47 H48 Au Cl3 N O2 P -","1","1","","Wang, Zhixun; Nicolini, Corrado; Hervieu, Cedric; Wong, Yuk-Fai; Zanoni, Giuseppe; Zhang, Liming","Remote Cooperative Group Strategy Enables Ligands for Accelera-tive Asymmetric Gold Catalysis.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09136","","","0.71073","MoKα","","0.0366","0.0353","","","0.0619","0.0625","","","","","","1.032","","","","has coordinates","202904","2020-10-21","18:00:00",""
"4127060","6.5555","0.0003","7.2872","0.0003","17.9836","0.0007","88.767","0.002","87.077","0.002","88.171","0.002","857.37","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","none","Compound5t","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C36 H50 N2 O10 -","2","2","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","1.54178","CuKα","","0.0464","0.0403","","","0.1077","0.112","","","","","","1.011","","","","has coordinates","205455","2020-10-21","18:00:00",""
"4127132","9.311","0.002","13.035","0.003","14.124","0.003","98.484","0.007","93.383","0.007","96.918","0.007","1678","0.6","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","Organic Mixed Valence Compounds Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11184","","x-ray","0.71073","MoKα","","0.0292","0.0283","","","0.0681","0.0687","","","","","","1.049","","","","has coordinates,has disorder","206047","2020-10-21","18:00:00",""
"4127168","8.539","0.004","10.087","0.005","10.417","0.004","105.258","0.007","99.266","0.013","100.55","0.02","830","0.7","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C17 H21 N O2 S2 -","- C17 H21 N O2 S2 -","- C34 H42 N2 O4 S4 -","2","2","","Li, Feng; Korenaga, Toshinobu; Nakanishi, Taishi; Kikuchi, Jun; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Enantioselective Ring Expansion Reaction of 1,3-Dithiane Derivatives: Case Study of the Nature of Ion-Pairing Interaction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13274","","","0.71075","MoKα","","0.0451","0.0415","","","0.0861","0.0891","","","","","","1.02","","","","has coordinates","206272","2020-10-21","18:00:00",""
"4127230","13.8502","0.0002","16.6927","0.0003","23.0193","0.0003","90.251","0.001","90.387","0.001","112.097","0.002","4930.84","0.15","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H150 B2 K2 N8 O14 -","- C94 H150 B2 K2 N8 O14 -","- C188 H300 B4 K4 N16 O28 -","2","2","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0644","0.0551","","","0.1437","0.1516","","","","","","1.041","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127283","13.9028","0.0003","14.2795","0.0003","16.7217","0.0004","112.768","0.001","103.651","0.001","91.157","0.001","2951.4","0.12","273.15","","273.15","","","","","","","","","6","P 1","P 1","1","","T3145","","- C81 H86 N2 O26 S4 Zn4 -","- C81 H86 N2 O26 S4 Zn4 -","- C81 H86 N2 O26 S4 Zn4 -","1","1","","Tan, Chunxia; Yang, Kuiwei; Dong, Jinqiao; Liu, Yuhao; Liu, Yan; Jiang, Jianwen; Cui, Yong","Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07633","","","1.54178","CuKα","","0.0262","0.0243","","","0.0603","0.0608","","","","","","1.006","","","","has coordinates","219554","2020-10-21","18:00:00",""
"4127310","8.731","0.003","18.33","0.006","18.881","0.006","62.204","0.007","85.045","0.008","77.442","0.007","2608.7","1.5","100","2","100.16","","","","","","","","","4","P 1","P 1","1","","","","- C64 H52 N6 O13 -","- C64 H52 N6 O13 -","- C128 H104 N12 O26 -","2","2","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","0.71073","MoKα","","0.2764","0.0997","","","0.1748","0.2365","","","","","","0.973","","","","has coordinates","219579","2020-10-21","18:00:00",""
"4127397","9.7764","0.0018","10.02","0.002","10.928","0.002","112.897","0.014","98.386","0.015","93.96","0.02","966.3","0.3","223","2","223","2","","","","","","","","8","P 1","P 1","1","","","","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","1","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.042","0.04","","","0.1054","0.11","","","","","","1.009","","","","has coordinates","220673","2020-10-21","18:00:00",""
"4127500","10.8222","0.0004","11.3035","0.0004","16.5127","0.0003","90.867","0.002","101.725","0.003","103.42","0.003","1919.7","0.11","180","0.1","180","0.1","","","","","","","","6","P 1","P 1","1","","","","- C37 H64 Cr N2 P Si2 -","- C37 H64 Cr N2 P Si2 -","- C74 H128 Cr2 N4 P2 Si4 -","2","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0692","0.0659","","","0.1819","0.1846","","","","","","1.052","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127581","6.7263","0.0005","9.6206","0.0007","10.0133","0.0007","114.987","0.002","102.242","0.002","94.169","0.002","564.26","0.07","100","2","100","2","","","","","","","","3","P 1","P 1","1","KY1-Mo","","","- C28 H40 O2 -","- C28 H40 O2 -","- C28 H40 O2 -","1","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","0.71073","MoKα","","0.0347","0.032","","","0.0876","0.0899","","","","","","1.028","","","","has coordinates","220793","2020-10-21","18:00:00",""
"4127636","12.405","","19.6581","","23.3427","","80.297","","82.671","","71.668","","5309.2","","296","","296","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H70.5 I21 N9 Pb6 -","- C114 H141 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.1073","0.0859","","","0.1996","0.2164","","","","","","1.054","","","","has coordinates","220842","2020-10-21","18:00:00",""
"4127637","12.3924","0.0002","19.654","0.0004","23.3396","0.0006","80.405","0.002","82.793","0.002","71.672","0.0018","5304.5","0.2","103","","103","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H80 I21 N9 Pb6 -","- C114 H160 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.097","0.0911","","","0.2369","0.2424","","","","","","1.078","","","","has coordinates","220843","2020-10-21","18:00:00",""
"4127906","10.0143","0.0003","10.1957","0.0003","11.7671","0.0003","107.939","0.001","92.935","0.001","116.211","0.001","1000.53","0.05","303","2","303.06","","","","","","","","","6","P 1","P 1","1","","","","- C22 H17 Br F3 N O -","- C22 H17 Br F3 N O -","- C44 H34 Br2 F6 N2 O2 -","2","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0613","0.0505","","","0.1315","0.1421","","","","","","1.036","","","","has coordinates","221064","2020-10-21","18:00:00",""
"4127936","16.2723","0.0007","18.2308","0.0007","19.8269","0.0008","106.559","0.002","90.944","0.002","108.396","0.002","5313","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","1","1","","Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.","Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.","Journal of the American Chemical Society","2019","141","5","2097","2103","10.1021/jacs.8b11872","","","1.54178","CuKα","","0.0728","0.0563","","","0.1612","0.1749","","","","","","1.042","","","","has coordinates,has disorder","221094","2020-10-21","18:00:00",""
"4127988","12.0929","0.0005","12.1407","0.0006","32.496","0.0015","84.6775","0.0016","82.833","0.0015","89.9763","0.0015","4713","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H40 I4 N2 S8 Sn -","- C40 H40 I4 N2 S8 Sn -","- C160 H160 I16 N8 S32 Sn4 -","4","4","","Gao, Yao; Wei, Zitang; Yoo, Pilsun; Shi, Enzheng; Zeller, Matthias; Zhu, Chenhui; Liao, Peilin; Dou, Letian","Highly Stable Lead-Free Perovskite Field-Effect Transistors Incorporating Linear π-Conjugated Organic Ligands.","Journal of the American Chemical Society","2019","141","39","15577","15585","10.1021/jacs.9b06276","","","1.54178","CuKα","","0.149","0.1375","","","0.3738","0.4125","","","","","","1.096","","","","has coordinates,has disorder","221130","2020-10-21","18:00:00",""
"4128097","11.4162","0.0003","13.3892","0.0004","18.7283","0.0005","75.681","0.002","81.697","0.002","89.964","0.002","2742.85","0.13","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28.5 H39 Cl N O2 -","- C28.5 H39 Cl N O2 -","- C114 H156 Cl4 N4 O8 -","4","4","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","1.54184","CuKα","","0.0582","0.0568","","","0.1574","0.1592","","","","","","1.021","","","","has coordinates,has disorder","221228","2020-10-21","18:00:00",""
"4128151","6.1734","0.0002","12.3999","0.0004","20.4254","0.0006","97.203","0.001","97.059","0.001","99.727","0.001","1512.23","0.08","100","","100","","","","","","","","","5","P 1","P 1","1","","4-(1-((4-methoxybenzyl)-l4-azanyl)propan-2-yl)-4l4-morpholine, 4-methylbenzenesulfonate salt","","- C29 H40 N2 O8 S2 -","- C29 H40 N2 O8 S2 -","- C58 H80 N4 O16 S4 -","2","2","","Vanable, Evan P.; Kennemur, Jennifer L.; Joyce, Leo A.; Ruck, Rebecca T.; Schultz, Danielle M.; Hull, Kami L.","Rhodium-Catalyzed Asymmetric Hydroamination of Allyl Amines.","Journal of the American Chemical Society","2019","141","2","739","742","10.1021/jacs.8b09811","","","0.71073","MoKα","","0.0498","0.0413","","","0.0955","0.1007","","","","","","1.052","","","","has coordinates,has disorder","221277","2020-10-21","18:00:00",""
"4128161","8.2832","0.0001","10.1297","0.0002","10.7689","0.0002","79.365","0.001","82.958","0.001","76.332","0.001","859.95","0.03","170","2","170.01","","","","","","","","","6","P 1","P 1","1","","","","- C19 H18 F N O3 S -","- C19 H18 F N O3 S -","- C38 H36 F2 N2 O6 S2 -","2","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0393","0.0384","","","0.1276","0.1289","","","","","","1.135","","","","has coordinates","221294","2020-10-21","18:00:00",""
"4128286","9.4457","0.0008","9.7034","0.001","18.412","0.002","79.515","0.005","87.442","0.005","85.632","0.005","1653.7","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C73 H120 N4 -","- C73 H120 N4 -","- C73 H120 N4 -","1","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0638","0.0461","","","0.1038","0.114","","","","","","1.022","","","","has coordinates,has disorder","221408","2020-10-21","18:00:00",""
"4128304","9.48","0.0006","9.5062","0.0006","13.0768","0.0008","79.7133","0.0018","87.5882","0.0017","60.4663","0.0016","1007.41","0.11","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C44 H52 N4 O12 -","2","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0288","0.0288","","0.0318","0.0318","0.0317","","","","","","1.1119","","","","has coordinates","221427","2020-10-21","18:00:00",""
"4128463","6.2584","0.001","7.9523","0.0013","8.4873","0.0013","62.655","0.007","69.084","0.008","82.665","0.008","350.14","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","ZY_072_lit","","","- C15 H22 O5 -","- C15 H22 O5 -","- C15 H22 O5 -","1","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0364","0.0348","","","0.0878","0.0887","","","","","","1.028","","","","has coordinates","221567","2020-10-21","18:00:00",""
"4128546","6.7306","0.0003","9.662","0.0005","16.8578","0.0008","95.475","0.002","98.967","0.002","106.855","0.002","1024.84","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H28 B F3 O2 -","- C21 H28 B F3.003 O2 -","- C42 H56 B2 F6.006 O4 -","2","2","","Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.","Journal of the American Chemical Society","2019","141","30","12087","12099","10.1021/jacs.9b05465","","","1.54178","CuKα","","0.0475","0.0468","","","0.13","0.1308","","","","","","1.037","","","","has coordinates,has disorder","221627","2020-10-21","18:00:00",""
"4128570","14.6354","0.0007","14.6996","0.0005","14.9478","0.0004","108.499","0.003","118.729","0.004","96.102","0.003","2541.4","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","1","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","","0.1138","0.0807","","","0.1753","0.1851","","","","","","0.984","","","","has coordinates,has disorder","221650","2020-10-21","18:00:00",""
"4128571","14.4908","0.0005","14.6376","0.0005","15.2041","0.0008","66.7066","0.0015","61.5893","0.001","83.9903","0.0011","2591.4","0.19","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C109.8 H107 Au2 Cl2.6 F30 N2 P2 -","2","2","","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","","","0.71073","MoKα","","0.032","0.0263","","","0.0553","0.0573","","","","","","1.003","","","","has coordinates,has disorder","221651","2020-10-21","18:00:00",""
"4128572","9.2294","0.0004","9.5235","0.0004","9.8268","0.0005","76.3219","0.0014","66.9921","0.0014","89.3666","0.0015","769.28","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","1","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","","","0.71073","MoKα","","0.0278","0.027","","","0.0636","0.0641","","","","","","1.032","","","","has coordinates","221652","2020-10-21","18:00:00",""
"4128627","5.8128","0.0004","8.5698","0.0006","13.4075","0.0011","83.978","0.006","88.299","0.007","88.26","0.006","663.66","0.09","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 Cl2 O -","- C15 H14 Cl2 O -","- C30 H28 Cl4 O2 -","2","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0802","0.0712","","","0.1782","0.1845","","","","","","1.042","","","","has coordinates","221708","2020-10-21","18:00:00",""
"4128664","11.5182","0.0003","12.6576","0.0004","12.8574","0.0004","79.166","0.002","83.628","0.002","83.716","0.002","1822.18","0.09","128","20","128","20","","","","","","","","6","P 1","P 1","1","","","","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0662","0.0607","","","0.1715","0.1808","","","","","","1.086","","","","has coordinates","221745","2020-10-21","18:00:00",""
"4128665","11.3961","0.0008","12.6727","0.0009","12.8895","0.001","80.061","0.006","84.9","0.006","84.005","0.006","1818.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0483","0.0469","","","0.1266","0.1283","","","","","","1.072","","","","has coordinates","221746","2020-10-21","18:00:00",""
"4128682","15.2943","0.001","16.0822","0.001","17.6097","0.0012","108.002","0.002","92.021","0.002","109.271","0.0019","3842.8","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","lmcdp233","","","- C32 H27 Cl Ir N O P2 -","- C32 H27 Cl Ir N O P2 -","- C128 H108 Cl4 Ir4 N4 O4 P8 -","4","4","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0732","0.0563","","","0.131","0.1421","","","","","","1.046","","","","has coordinates,has disorder","221763","2020-10-21","18:00:00",""
"4128753","9.3675","0.0004","9.8446","0.0004","12.9472","0.0006","89.972","0.003","69.566","0.004","79.485","0.004","1097.47","0.09","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C52 H54 N2 O12 -","2","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0284","0.028","","","0.0701","0.0704","","","","","","1.091","","","","has coordinates","221823","2020-10-21","18:00:00",""
"4128807","7.6636","0.0002","9.5929","0.0002","10.8499","0.0002","86.249","0.002","76.166","0.002","79.11","0.002","760.39","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0367","0.0357","","","0.0952","0.0961","","","","","","1.048","","","","has coordinates","221872","2020-10-21","18:00:00",""
"4128855","8.1676","0.0002","11.9112","0.0003","12.7014","0.0003","89.4745","0.0011","81.236","0.0014","75.9211","0.0011","1184.05","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","TGF beta","","","- C26 H29 N5 O2 -","- C26 H29 N5 O2 -","- C52 H58 N10 O4 -","2","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0544","0.0486","","","0.1258","0.1324","","","","","","0.997","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128946","9.9297","0.0002","13.7671","0.0003","14.1998","0.0004","64.113","0.002","87.206","0.002","89.732","0.002","1744","0.08","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H15 Cl N2 O6 -","- C18 H15 Cl N2 O6 -","- C72 H60 Cl4 N8 O24 -","4","4","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.099","0.1008","","","","","","1.046","","","","has coordinates","221978","2020-10-21","18:00:00",""
"4129091","8.4638","0.0004","11.0323","0.0005","11.3821","0.0006","93.398","0.004","91.354","0.004","90.017","0.004","1060.64","0.09","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 F3 N4 O3 -","- C23 H21 F3 N4 O3 -","- C46 H42 F6 N8 O6 -","2","2","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0363","0.0334","","","0.0815","0.0834","","","","","","1.038","","","","has coordinates,has disorder","227680","2020-10-21","18:00:00",""
"4129178","8.2876","0.0005","9.3557","0.0006","15.1595","0.001","87.08","0.005","81.883","0.005","73.572","0.005","1116.06","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","1","1","","Jin-Zheng Wang; Jin Zhou; Chang Xu; Hongbin Sun; Laszlo Kurti; Qing-Long Xu","Symmetry in Cascade Chirality-Transfer Processes: A Catalytic Atroposelective Direct Arylation Approach to BINOL Derivatives","Journal of the American Chemical Society","2016","138","","5202","5205","10.1021/jacs.6b01458","","","1.54184","CuKα","","0.0359","0.033","","","0.0851","0.0872","","","","","","1.032","","","","has coordinates","231086","2020-10-21","18:00:00",""
"4129212","9.6518","0.0004","11.5771","0.0004","23.0833","0.0011","78.419","0.002","87.129","0.002","62.511","0.0018","2238.84","0.17","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C92 H124 N20 O4 -","- C92 H109 N20 O4 -","- C92 H109 N20 O4 -","1","1","","Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P.","Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10952","","","1.54187","CuKα","","0.2249","0.1049","","","0.2258","0.2922","","","","","","0.916","","","","has coordinates","231175","2020-10-21","18:00:00",""
"4129290","8.567","0.002","14.302","0.005","14.504","0.003","86.129","0.014","83.022","0.011","77.121","0.014","1718.1","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","1","1","","Mittal, Nisha; Lippert, Katharina M.; De, Chandra Kanta; Klauber, Eric G.; Emge, Thomas J.; Schreiner, Peter R.; Seidel, Daniel","A Dual-Catalysis Anion-Binding Approach to the Kinetic Resolution of Amines: Insights into the Mechanism via a Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","17","5748","5758","10.1021/jacs.5b00190","","","0.71073","MoKα","","0.0709","0.0598","","","0.1385","0.1442","","","","","","1.071","","","","has coordinates","240039","2020-10-21","18:00:00",""
"4129371","8.6359","0.0008","10.3823","0.0009","11.5035","0.001","63.959","0.003","86.221","0.003","74.14","0.003","889.68","0.14","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br2 Cl O2 -","- C18 H17 Br2 Cl O2 -","- C36 H34 Br4 Cl2 O4 -","2","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0556","0.0415","","","0.0838","0.0889","","","","","","1.037","","","","has coordinates","240098","2020-10-21","18:00:00",""
"4129401","9.0914","0.0015","9.1163","0.0015","10.4464","0.0017","79.339","0.003","82.318","0.003","65.198","0.003","770.8","0.2","100","0.5","100","0.5","","","","","","","","5","P 1","P 1","1","weixyz01","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C34 H38 N2 O6 S2 -","2","2","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.1006","0.0634","","","0.1366","0.1574","","","","","","1.038","","","","has coordinates,has disorder","240116","2020-10-21","18:00:00",""
"4129581","9.4116","0.0002","10.1451","0.0002","10.385","0.0007","87.94","0.006","66.878","0.005","82.795","0.006","904.63","0.08","85","2","85","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0331","0.0329","","","0.0862","0.0864","","","","","","0.962","","","","has coordinates,has disorder","240278","2020-10-21","18:00:00",""
"4129773","4.8777","0.0004","7.7049","0.0008","17.0972","0.0015","81.369","0.007","82.83","0.006","72.019","0.007","602.14","0.1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 N4 O5.5 S -","- C10 H13 N4 O5.5 S -","- C20 H26 N8 O11 S2 -","2","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","1.54178","CuKα","","0.0514","0.0458","","","0.1167","0.1202","","","","","","1.034","","","","has coordinates,has disorder","240430","2020-10-21","18:00:00",""
"4129911","17.385","0.005","17.425","0.006","17.479","0.006","60.384","0.003","60.308","0.003","60.168","0.003","3768","2","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C144 H174 F15.01 N24 O3 S2.5 -","- C144 H168 F15.012 N24 O3 S2.502 -","- C144 H168 F15.012 N24 O3 S2.502 -","1","1","","Hasell, Tom; Miklitz, Marcin; Stephenson, Andrew; Little, Marc A.; Chong, Samantha Y.; Clowes, Rob; Chen, Linjiang; Holden, Daniel; Tribello, Gareth A.; Jelfs, Kim E.; Cooper, Andrew I.","Porous Organic Cages for Sulfur Hexafluoride Separation.","Journal of the American Chemical Society","2016","138","5","1653","1659","10.1021/jacs.5b11797","","x-ray","0.6889","","","0.1091","0.0894","","","0.2378","0.2549","","","","","","1.039","","","","has coordinates,has disorder","240555","2020-10-21","18:00:00",""
"4130160","11.208","0.006","13.107","0.006","14.164","0.007","78.649","0.009","72.073","0.008","77.763","0.009","1915.3","1.7","296","2","296.15","","","","","","","","","5","P 1","P 1","1","","","","- C41 H42 Cl4 N2 O2 -","- C41 H42 Cl4 N2 O2 -","- C82 H84 Cl8 N4 O4 -","2","2","","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","","0.1188","0.0594","","","0.1582","0.2014","","","","","","0.997","","","","has coordinates","240713","2020-10-21","18:00:00",""
"4130257","9.121","0.0014","10.639","0.0016","11.3056","0.0018","67.036","0.004","73.952","0.004","85.831","0.004","970","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","1","1","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0302","0.0293","","","0.0679","0.0684","","","","","","1.02","","","","has coordinates","240759","2020-10-21","18:00:00",""
"4130261","7.8369","0.0018","11.551","0.003","14.045","0.003","109.829","0.003","96.058","0.003","107.644","0.003","1108.6","0.5","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 Cl5 Fe O3 -","- C19 H21 Cl5 Fe O3 -","- C38 H42 Cl10 Fe2 O6 -","2","2","","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","","0.0257","0.0228","","","0.0495","0.0506","","","","","","0.963","","","","has coordinates","240763","2020-10-21","18:00:00",""
"4130265","13.547","0.003","14.829","0.003","15.76","0.003","111.55","0.03","93.03","0.03","98.03","0.03","2897.1","1.3","173.15","","173.15","","","","","","","","","8","P 1","P 1","1","","","","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","1","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0436","0.0422","","","0.0925","0.0965","","","","","","1.052","","","","has coordinates,has disorder","240767","2020-10-21","18:00:00",""
"4130304","6.2267","0.0004","6.7164","0.0005","13.4269","0.0009","77.552","0.003","80.072","0.003","68.189","0.002","506.43","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C23 H38 O3 -","- C23 H38 O3 -","- C23 H38 O3 -","1","1","","Obradors, Carla; Martinez, Ruben M.; Shenvi, Ryan A.","Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers.","Journal of the American Chemical Society","2016","138","14","4962","4971","10.1021/jacs.6b02032","","x-ray","1.54178","CuKα","","0.0309","0.0309","","","0.0841","0.0842","","","","","","1.06","","","","has coordinates","240785","2020-10-21","18:00:00",""
"4130305","6.7858","0.0009","7.7709","0.001","8.1797","0.001","112.386","0.006","91.911","0.006","96.499","0.009","394.89","0.09","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C19 H21 N O3 -","1","1","","Hayashi, Masaki; Bachman, Shoshana; Hashimoto, Satoshi; Eichman, Chad C.; Stoltz, Brian M.","Ni-Catalyzed Enantioselective C-Acylation of α-Substituted Lactams.","Journal of the American Chemical Society","2016","138","29","8997","9000","10.1021/jacs.6b02120","","","1.54178","CuKα","","0.0296","0.0285","","","0.0697","0.0703","","","","","","1.092","","","","has coordinates","240786","2020-10-21","18:00:00",""
"4130314","5.4814","0.0012","8.5363","0.0017","10.1397","0.0017","71.243","0.016","75.321","0.016","76.523","0.018","428.59","0.15","180.1","0.2","180.1","0.2","","","","","","","","4","P 1","P 1","1","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C20 H16 F4 O4 -","2","2","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.044","0.0432","","","0.1188","0.1205","","","","","","1.074","","","","has coordinates","240792","2020-10-21","18:00:00",""
"4130348","9.8418","0.0005","11.238","0.0006","12.2846","0.0007","101.925","0.001","109.904","0.001","94.519","0.001","1233.44","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","YX-3-217B","hartwig106","","- C21 H30 B Cl3 O4 -","- C21 H30 B Cl3 O4 -","- C42 H60 B2 Cl6 O8 -","2","2","","Xi, Yumeng; Hartwig, John F.","Diverse Asymmetric Hydrofunctionalization of Aliphatic Internal Alkenes through Catalytic Regioselective Hydroboration.","Journal of the American Chemical Society","2016","138","21","6703","6706","10.1021/jacs.6b02478","","","0.71073","MoKα","","0.0406","0.0371","","","0.092","0.0952","","","","","","1.047","","","","has coordinates","240811","2020-10-21","18:00:00",""
"4130389","8.9537","0.0001","9.519","0.0001","11.4872","0.0001","80.3533","0.0006","75.0509","0.0008","70.2282","0.0007","886.677","0.016","170","0.1","170","0.1","","","","","","","","7","P 1","P 1","1","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","1","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.031","0.0261","","","0.0553","0.0572","","","","","","1.07","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130424","10.1007","0.0008","12.8982","0.0007","15.4354","0.0015","81.816","0.006","80.903","0.009","70.138","0.006","1859","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 Au N S8 -","- C28 H52 Au N S8 -","- C56 H104 Au2 N2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0854","0.0379","","","0.0641","0.0793","","","","","","1.027","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130425","9.9946","0.0006","12.8908","0.0012","15.4197","0.0013","81.69","0.006","80.294","0.005","69.818","0.006","1830","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 N Ni S8 -","- C28 H52 N Ni S8 -","- C56 H104 N2 Ni2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0936","0.045","","","0.0871","0.1068","","","","","","1.02","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130426","6.957","0.005","7.938","0.005","9.378","0.005","73.394","0.005","74.625","0.005","73.189","0.005","465.6","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Au S8 -","- C12 H16 Au S8 -","- C12 H16 Au S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0784","0.0454","","","0.0625","0.0678","","","","","","1.01","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130427","6.9784","0.0004","7.8994","0.0006","9.217","0.0005","70.105","0.006","75.451","0.005","75.277","0.004","454.44","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0415","0.0267","","","0.0576","0.061","","","","","","1.019","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130532","13.386","0.001","13.874","0.002","17.401","0.001","91.797","0.002","109.34","0.03","109.77","0.02","2831.9","0.9","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C92.4 H105.6 F15.6 N2 O33.2 P8 -","- C92 H104 F15 N2 O33 P8 -","- C92 H104 F15 N2 O33 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0877","0.0849","","","0.2358","0.2399","","","","","","1.033","","","","has coordinates,has disorder","240939","2020-10-21","18:00:00",""
"4130533","13.174","0.001","14.676","0.002","16.965","0.001","67.422","0.003","71.903","0.002","82.706","0.002","2878.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C92 H108.9 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0763","0.0745","","","0.2127","0.2161","","","","","","1.034","","","","has coordinates,has disorder","240940","2020-10-21","18:00:00",""
"4130534","12.132","0.002","14.541","0.001","15.468","0.001","90.106","0.002","81.165","0.003","84.626","0.002","2684.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0714","0.0631","","","0.1721","0.1811","","","","","","1.036","","","","has coordinates","240942","2020-10-21","18:00:00",""
"4130537","12.78","0.01","14.37","0.01","18.31","0.01","70.09","0.02","69.92","0.01","69.68","0.02","2867","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0718","0.0712","","","0.1947","0.1958","","","","","","1.054","","","","has coordinates,has disorder","240945","2020-10-21","18:00:00",""
"4130538","12.65","0.01","18.35","0.01","26.59","0.01","81.38","0.02","84.56","0.03","70.12","0.02","5732","6","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C192 H228 F48 N4 O72.4 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0634","0.0605","","","0.1632","0.1676","","","","","","1.038","","","","has coordinates,has disorder","240946","2020-10-21","18:00:00",""
"4130542","12.37","0.01","13.26","0.01","17.96","0.01","69.97","0.02","78.83","0.03","82.15","0.02","2707","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","x-ray","0.7","","","0.0565","0.0561","","","0.1457","0.146","","","","","","1.048","","","","has coordinates,has disorder","240950","2020-10-21","18:00:00",""
"4130543","12.779","0.002","17.178","0.001","17.193","0.002","65.681","0.003","70.396","0.002","73.262","0.002","3190.2","0.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C95.2 H113.8 Cl2 F25.8 N2 O36.6 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0673","0.0662","","","0.1847","0.186","","","","","","1.063","","","","has coordinates,has disorder","240951","2020-10-21","18:00:00",""
"4130544","11.99","0.01","12.82","0.01","17.65","0.01","87.99","0.02","87.73","0.03","83.4","0.01","2692","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0688","0.0684","","","0.1918","0.1922","","","","","","1.144","","","","has coordinates,has disorder","240952","2020-10-21","18:00:00",""
"4130545","12.59","0.01","15.96","0.01","16.97","0.01","93.69","0.02","107.73","0.03","105.58","0.02","3089","4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0582","0.0578","","","0.1708","0.1713","","","","","","1.043","","","","has coordinates","240953","2020-10-21","18:00:00",""
"4130546","13.19","0.01","13.77","0.01","17.91","0.01","95.67","0.01","110.4","0.02","109","0.02","2799","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C82.5 H92.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.1321","0.114","","","0.3305","0.3496","","","","","","1.411","","","","has coordinates","240954","2020-10-21","18:00:00",""
"4130569","6.2719","0.0002","9.7785","0.0003","10.0673","0.0004","115.426","0.001","93.829","0.001","100.896","0.001","539.9","0.03","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","1","1","","Xiao, Kai-Jiong; Chu, Ling; Chen, Gang; Yu, Jin-Quan","Kinetic Resolution of Benzylamines via Palladium(II)-Catalyzed C-H Cross-Coupling.","Journal of the American Chemical Society","2016","138","24","7796","7800","10.1021/jacs.6b04660","","x-ray","0.71073","MoKα","","0.0326","0.0299","","","0.0704","0.0719","","","","","","1.037","","","","has coordinates","240973","2020-10-21","18:00:00",""
"4130571","11.5955","0.0002","11.8094","0.0002","13.3744","0.0002","112.922","0.001","92.39","0.001","117.085","0.001","1447.26","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","1","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","","","1.54178","CuKα","","0.0543","0.0523","","","0.111","0.1287","","","","","","1.024","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130729","6.4718","0.0004","7.7276","0.0006","7.9956","0.0005","68.426","0.007","85.638","0.005","87.899","0.006","370.76","0.05","293","2","293.15","","","","","","","","","4","P 1","P 1","1","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C17 H15 N O4 -","1","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54184","CuKα","","0.0394","0.0366","","","0.0983","0.1025","","","","","","1.034","","","","has coordinates","241109","2020-10-21","18:00:00",""
"4130799","6.0461","0.0003","7.3963","0.0004","20.9073","0.0011","81.327","0.005","89.655","0.004","88.536","0.004","923.95","0.08","93","","93","","","","","","","","","2","P 1","P 1","1","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.1131","0.0609","","","0.1277","0.152","","","","","","1.004","","","","has coordinates","241163","2020-10-21","18:00:00",""
"4130939","11.1433","0.0004","11.3328","0.0004","20.944","0.0007","85.41","0.002","76.594","0.002","63.661","0.002","2304.95","0.15","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C100 H68 Br2 N4 P2 Pd2 -","4","4","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.71073","MoKα","","0.0729","0.0656","","","0.1747","0.179","","","","","","1.257","","","","has coordinates","241271","2020-10-21","18:00:00",""
"4130974","8.8033","0.0004","14.9971","0.0007","24.8202","0.0011","84.356","0.003","85.371","0.003","79.193","0.004","3196.6","0.3","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C37 H32 N4 O3 -","- C37 H32 N4 O3 -","- C148 H128 N16 O12 -","4","4","","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","","","1.54178","CuKα","","0.0976","0.0867","","","0.2183","0.2413","","","","","","1.021","","","","has coordinates","241297","2020-10-21","18:00:00",""
"4131133","6.1564","0.001","15.59","0.003","17.998","0.003","102.075","0.006","93.922","0.004","101.361","0.004","1645.2","0.5","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C32 H35 Br2 N5 O4 -","- C32 H35 Br2 N5 O4 -","- C64 H70 Br4 N10 O8 -","2","2","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1058","0.0699","","","0.1437","0.1596","","","","","","1.08","","","","has coordinates","241421","2020-10-21","18:00:00",""
"4131291","10.2122","0.0008","10.304","0.001","10.7741","0.0012","70.18","0.012","62.36","0.01","86.86","0.015","937.7","0.2","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0612","0.0583","","","0.1276","0.1321","","","","","","1.147","","","","has coordinates","241523","2020-10-21","18:00:00",""
"4131293","10.286","0.003","10.706","0.002","11.1417","0.0004","66.363","0.018","64.94","0.02","88.2","0.03","1003.9","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","2","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0261","0.0247","","","0.0583","0.0611","","","","","","1.066","","","","has coordinates","241525","2020-10-21","18:00:00",""
"4131420","9.6892","0.0011","10.0478","0.0009","11.9882","0.0011","89.402","0.008","77.36","0.008","89.745","0.008","1138.8","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C48 H74 N2 O6 -","2","2","","Loskot, Steven A.; Romney, David K.; Arnold, Frances H.; Stoltz, Brian M.","Enantioselective Total Synthesis of Nigelladine A via Late-Stage C-H Oxidation Enabled by an Engineered P450 Enzyme.","Journal of the American Chemical Society","2017","139","30","10196","10199","10.1021/jacs.7b05196","","","1.54178","CuKα","","0.0568","0.0497","","","0.1066","0.1114","","","","","","1.062","","","","has coordinates","241626","2020-10-21","18:00:00",""
"4131469","7.912","0.002","11.836","0.003","13.51","0.004","81.434","0.008","88.885","0.009","78.74","0.006","1226.9","0.6","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0406","","","","0.1034","","","","","","1.044","","","","has coordinates","241659","2020-10-21","18:00:00",""
"4131474","7.911","0.003","11.84","0.005","13.499","0.006","81.369","0.011","88.853","0.012","78.737","0.01","1226","0.9","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 N2 S2 Si4 -","- C19 H30 N2 S2 Si4 -","- C38 H60 N4 S4 Si8 -","2","2","","Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.","Journal of the American Chemical Society","2017","139","32","11214","11221","10.1021/jacs.7b05671","","","0.71075","MoKα","","","0.0896","","","","0.2435","","","","","","1.055","","","","has coordinates","241664","2020-10-21","18:00:00",""
"4131488","12.085","0.002","16.11","0.003","16.872","0.003","108.71","0.03","104.35","0.03","97.82","0.03","2929.8","1.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H79 F6 N14 O7 S -","- C45 H79 F6 N14 O7 S -","- C90 H158 F12 N28 O14 S2 -","2","2","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0763","0.0754","","","0.1771","0.1795","","","","","","1.124","","","","has coordinates","241678","2020-10-21","18:00:00",""
"4131567","9.16","0.0018","10.94","0.002","17.452","0.004","102.47","0.03","97.46","0.03","95.07","0.03","1680.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","TpMes CoCl","Cobalt Trispyrazolylmesitylborate chloride","","- C36 H40 B Cl Co N6 -","- C36 H40 B Cl Co N6 -","- C72 H80 B2 Cl2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.0302","0.028","","","0.0709","0.0721","","","","","","1.029","","","","has coordinates","241746","2020-10-21","18:00:00",""
"4131568","9.0038","0.0014","11.3166","0.0017","17.839","0.003","103.802","0.003","95.013","0.003","94.018","0.003","1750.6","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","TpMes CoAllyl","Cobalt Trispyrazolylmesitylborate allyl","","- C39 H45 B Co N6 -","- C39 H45 B Co N6 -","- C78 H90 B2 Co2 N12 -","2","2","","Dubey, Romain J.-C.; Comito, Robert J.; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J.; Hendon, Christopher H.; Miller, Jeffrey T.; Dincă, Mircea","Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.","Journal of the American Chemical Society","2017","139","36","12664","12669","10.1021/jacs.7b06841","","","0.71073","MoKα","","0.059","0.0444","","","0.1083","0.1154","","","","","","1.036","","","","has coordinates","241747","2020-10-21","18:00:00",""
"4131672","6.1822","0.0012","13.451","0.003","14.282","0.003","79.78","0.03","89.81","0.03","76.78","0.03","1137","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H28 I N O5 -","- C22 H28 I N O5 -","- C44 H56 I2 N2 O10 -","2","2","","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","","0.1066","0.0451","","","0.1042","0.1275","","","","","","0.933","","","","has coordinates","241845","2020-10-21","18:00:00",""
"4131709","10.3202","0.0005","15.5911","0.0006","19.1946","0.0008","78.028","0.001","74.768","0.002","83.519","0.002","2909.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","MH127B","","","- C33 H34 N2 O4 S -","- C33 H34 N2 O4 S -","- C132 H136 N8 O16 S4 -","4","4","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","0.71073","MoKα","","0.044","0.0377","","","0.0889","0.0918","","","","","","1.038","","","","has coordinates","241878","2020-10-21","18:00:00",""
"4131748","7.7335","0.0001","14.1534","0.0002","14.5834","0.0002","77.005","0.001","87.584","0.001","89.69","0.001","1553.95","0.04","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C36 H54 O -","- C36 H54 O -","- C72 H108 O2 -","2","2","","Wang, Guang-Zu; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Irradiation-Induced Heck Reaction of Unactivated Alkyl Halides at Room Temperature.","Journal of the American Chemical Society","2017","139","50","18307","18312","10.1021/jacs.7b10009","","","1.54184","CuKα","","0.055","0.0517","","","0.1471","0.1517","","","","","","1.061","","","","has coordinates","241916","2020-10-21","18:00:00",""
"4131790","15.8196","0.0006","16.1882","0.0007","16.4818","0.0007","87.644","0.001","62.734","0.001","60.921","0.001","3188.1","0.2","130","2","130","2","","","","","","","","7","P 1","P 1","1","","","","- C64 H61 B F15 N6 Si3 Zn -","- C64 H61 B F15 N6 Si3 Zn -","- C128 H122 B2 F30 N12 Si6 Zn2 -","2","2","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0571","0.051","","","0.1329","0.139","","","","","","1.027","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4131801","9.311","0.002","13.035","0.003","14.124","0.003","98.484","0.007","93.383","0.007","96.918","0.007","1678","0.6","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0292","0.0283","","","0.0681","0.0687","","","","","","1.049","","","","has coordinates,has disorder","241949","2020-10-21","18:00:00",""
"4131804","12.3025","0.0007","16.8211","0.0009","18.2404","0.001","90.61","0.002","100.148","0.002","99.052","0.003","3666.5","0.4","200","","200","","","","","","","","","3","P 1","P 1","1","","","","- C70 H94 N2 -","- C70 H94 N2 -","- C140 H188 N4 -","2","2","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0709","0.0549","","","0.1479","0.1611","","","","","","1.014","","","","has coordinates","241952","2020-10-21","18:00:00",""
"4131805","9.242","0.003","9.965","0.004","15.328","0.006","94.187","0.008","93.093","0.008","95.429","0.008","1398.9","0.9","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0421","0.0395","","","0.1013","0.1035","","","","","","1.05","","","","has coordinates,has disorder","241953","2020-10-21","18:00:00",""
"4131807","9.1599","0.0018","9.876","0.002","15.304","0.003","95.2","0.03","94.29","0.03","92.92","0.03","1372.6","0.5","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0362","0.0347","","","0.0874","0.0888","","","","","","1.032","","","","has coordinates,has disorder","241955","2020-10-21","18:00:00",""
"4132253","9.079","0.003","12.14","0.005","14.018","0.005","78.003","0.016","77.069","0.015","81.756","0.018","1465.4","0.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","1","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0524","0.0429","","","0.0978","0.1006","","","","","","0.998","","","","has coordinates","242249","2020-10-21","18:00:00",""
"4132329","10.718","0.005","11.09","0.005","11.966","0.005","109.125","0.005","106.64","0.005","108.575","0.005","1146.2","0.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","1","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1991","0.0728","","","0.1669","0.2043","","","","","","0.79","","","","has coordinates","242313","2020-10-21","18:00:00",""
"4132657","8.9983","0.0011","9.3045","0.0015","9.3473","0.001","110.886","0.012","93.34","0.01","100.809","0.012","711.5","0.18","245","6","245","6","","","","","","","","6","P 1","P 1","1","","","","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","1","1","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","0.71073","MoKα","","0.0709","0.0479","","","0.088","0.1008","","","","","","1.03","","","","has coordinates","242593","2020-10-21","18:00:00",""
"4132658","11.494","0.0002","11.7725","0.0002","12.7954","0.0003","78.086","0.001","76.309","0.001","77.663","0.001","1621.03","0.06","150","2","149.99","","","","","","","","","4","P 1","P 1","1","","","","- C32 H36 N2 O10 -","- C32 H36 N2 O10 -","- C64 H72 N4 O20 -","2","2","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","1.54178","CuKα","","0.0516","0.0468","","","0.1136","0.1196","","","","","","1.089","","","","has coordinates","242594","2020-10-21","18:00:00",""
"4132692","8.1073","0.0003","12.6392","0.0005","13.2065","0.0006","74.9956","0.0016","81.3175","0.0016","71.4936","0.0014","1236.03","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 N O7 S -","- C26 H29 N O7 S -","- C52 H58 N2 O14 S2 -","2","2","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0479","0.0376","","","0.0824","0.0874","","","","","","1.038","","","","has coordinates,has disorder","242615","2020-10-21","18:00:00",""
"4132729","12.7654","0.0011","15.5021","0.0014","15.5871","0.0012","69.715","0.003","81.105","0.003","80.949","0.003","2840.5","0.4","273","2","273","2","","","","","","","","8","P 1","P 1","1","","","","- C65 H49 F0 N O0.5 P2 Pd S0 -","- C65 H49 N O0.5 P2 Pd -","- C130 H98 N2 O P4 Pd2 -","2","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","0.56086","AgKα","","0.0499","0.0396","","","0.1069","0.1149","","","","","","0.811","","","","has coordinates","242650","2020-10-21","18:00:00",""
"4133097","6.0098","0.0003","7.2615","0.0003","27.0654","0.0011","93.947","0.001","90.405","0.001","91.11","0.001","1178.07","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","2","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.0868","0.056","","","0.1464","0.1642","","","","","","1.028","","","","has coordinates","242941","2020-10-21","18:00:00",""
"4133170","10.5685","0.0002","13.0804","0.0003","23.2344","0.0005","80.624","0.0019","80.4638","0.0017","85.7415","0.0017","3121.54","0.12","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","1","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0436","0.0374","","","0.0796","0.0834","","","","","","1.015","","","","has coordinates,has disorder","243006","2020-10-21","18:00:00",""
"4133366","31.5083","0.0012","31.9261","0.0012","41.4205","0.0016","111.747","0.002","91.181","0.002","100.746","0.002","37838","3","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C84 H1092 Ce8 Mo256 N42 Na6 O1270 -","- C75 Ce8 Mo256 N36 O1152.25 -","- C75 Ce8 Mo256 N36 O1152.25 -","1","1","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1093","0.0723","","","0.1787","0.2157","","","","","","1.084","","","","has coordinates,has disorder","243172","2020-10-21","18:00:00",""
"4133413","10.1118","0.0003","11.8308","0.0004","12.5795","0.0004","83.377","0.001","70.474","0.001","72.023","0.001","1348.98","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H31 B O3 -","- C35 H31 B O3 -","- C70 H62 B2 O6 -","2","2","","Myhill, Jesse A.; Wilhelmsen, Christopher A.; Zhang, Liang; Morken, James P.","Diastereoselective and Enantioselective Conjunctive Cross-Coupling Enabled by Boron Ligand Design.","Journal of the American Chemical Society","2018","140","45","15181","15185","10.1021/jacs.8b09909","","","1.54178","CuKα","","0.045","0.0449","","","0.1164","0.1165","","","","","","1.022","","","","has coordinates","243210","2020-10-21","18:00:00",""
"4133447","6.3235","0.0001","8.7307","0.0002","16.0117","0.0003","92.4545","0.0011","91.3114","0.0011","107.094","0.001","843.57","0.03","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","1","1","","Liu, Guofeng; Sheng, Jianhui; Teo, Wei Liang; Yang, Guangbao; Wu, Hongwei; Li, Yongxin; Zhao, Yanli","Control on Dimensions and Supramolecular Chirality of Self-Assemblies through Light and Metal Ions.","Journal of the American Chemical Society","2018","140","47","16275","16283","10.1021/jacs.8b10024","","","1.54178","CuKα","","0.0482","0.0469","","","0.1188","0.1216","","","","","","1.067","","","","has coordinates,has disorder","243225","2020-10-21","18:00:00",""
"4133601","13.14495","0.00015","13.47863","0.00012","22.0101","0.0002","76.341","0.0008","78.4708","0.0009","62.6282","0.001","3346.23","0.07","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C64 H65 B F24 Ir N3 O P2 -","- C64 H65 B F24 Ir N3 O P2 -","- C128 H130 B2 F48 Ir2 N6 O2 P4 -","2","2","","Salomó, Ernest; Gallen, Albert; Sciortino, Giuseppe; Ujaque, Gregori; Grabulosa, Arnald; Lledós, Agustí; Riera, Antoni; Verdaguer, Xavier","Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst.","Journal of the American Chemical Society","2018","140","49","16967","16970","10.1021/jacs.8b11547","","","0.71075","MoKα","","0.0741","0.054","","","0.165","0.1878","","","","","","1.092","","","","has coordinates,has disorder","243357","2020-10-21","18:00:00",""
"4133645","7.2381","0.0003","9.3207","0.0004","11.0024","0.0004","67.514","0.001","89.888","0.001","75.525","0.001","660.42","0.05","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","(+)-lycoricidine","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0778","0.078","","","","","","1.072","","","","has coordinates","243384","2020-10-21","18:00:00",""
"4133656","6.5896","0.0003","9.7473","0.0005","12.2249","0.0008","68.974","0.006","75.048","0.005","71.536","0.005","685.9","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","2","","Liu, Yidong; Liu, Song; Li, Dongmei; Zhang, Nan; Peng, Lei; Ao, Jun; Song, Choong Eui; Lan, Yu; Yan, Hailong","Kinetic Resolution of Allylic Alcohol with Chiral BINOL-Based Alkoxides: A Combination of Experimental and Theoretical Studies.","Journal of the American Chemical Society","2019","141","2","1150","1159","10.1021/jacs.8b12796","","","0.71073","MoKα","","0.0563","0.0429","","","0.0955","0.1072","","","","","","1.044","","","","has coordinates","243393","2020-10-21","18:00:00",""
"4133870","3.471","","19.3414","0.0006","20.4117","0.0008","68.91","0.003","85.125","0.002","84.854","0.002","1271.33","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C6 H7 Ag2 N9 O3 -","- C6 H7 Ag2 N9 O3 -","- C24 H28 Ag8 N36 O12 -","4","4","","Meng, Peng; Brock, Aidan; Xu, Yanan; Han, Chenhui; Chen, Su; Yan, Cheng; McMurtrie, John; Xu, Jingsan","Crystal Transformation from the Incorporation of Coordinate Bonds into a Hydrogen-Bonded Network Yields Robust Free-Standing Supramolecular Membranes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11336","","","0.7108","Synchrotron","","0.1029","0.0935","","","0.2542","0.2718","","","","","","1.166","","","","has coordinates","246273","2020-10-21","18:00:00",""
"4133904","8.414","0.0004","8.8842","0.0004","11.9257","0.0006","102.293","0.0018","95.7488","0.0019","104.356","0.0019","832.74","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 B F2 O2 -","- C17 H23 B F2 O2 -","- C34 H46 B2 F4 O4 -","2","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.056","0.0556","","","0.1379","0.1384","","","","","","1.065","","","","has coordinates","246501","2020-10-21","18:00:00",""
"4133924","9.4219","0.0003","11.3625","0.0003","16.4678","0.0004","104.315","0.002","92.465","0.002","114.483","0.003","1533.34","0.09","98","2","98","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H38 B Cl3 O5 -","- C32 H38 B Cl3 O5 -","- C64 H76 B2 Cl6 O10 -","2","2","","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","","0.035","0.0342","","","0.0854","0.0861","","","","","","1.023","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4134096","9.4985","0.0003","15.8907","0.0005","16.0857","0.0005","101.396","0.0017","97.1969","0.0019","92.7279","0.0016","2354.78","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C87 H126 F18 N6 O12 -","3","3","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.1041","0.0578","","","0.136","0.1548","","","","","","1.016","","","","has coordinates,has disorder","247415","2020-10-21","18:00:00",""
"4134097","10.024","0.0004","11.6749","0.0004","11.9422","0.0004","88.059","0.001","78.739","0.001","76.405","0.001","1332.17","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","1","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0399","0.0346","","","0.0874","0.0907","","","","","","1.029","","","","has coordinates","247474","2020-10-21","18:00:00",""
"4134105","6.1625","0.0005","8.0217","0.0007","12.3804","0.0011","91.478","0.007","97.316","0.007","111.443","0.008","563.27","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","1","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0639","0.0545","","","0.1365","0.1418","","","","","","1.029","","","","has coordinates","247483","2020-10-21","18:00:00",""
"4134190","7.0005","0.0003","7.3078","0.0003","10.9418","0.0003","71.334","0.003","87.561","0.003","84.38","0.003","527.73","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C23 H37 N O5 -","1","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0308","0.0291","","","0.0806","0.0823","","","","","","1.056","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134235","9.8221","0.0004","9.8415","0.0004","11.7712","0.0004","78.958","0.006","87.087","0.006","69.349","0.005","1044.86","0.08","296","","296","","","","","","","","","3","P 1","P 1","1","","","","- C31 H27 Br -","- C29 H22 Br -","- C58 H44 Br2 -","2","2","","Takano, Hideaki; Shiozawa, Natsumi; Imai, Yoshitane; Kanyiva, Kyalo Stephen; Shibata, Takanori","Catalytic Enantioselective Synthesis of Axially Chiral Polycyclic Aromatic Hydrocarbons (PAHs) via Regioselective C-C Bond Activation of Biphenylenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12205","","","1.54187","CuKα","","0.0529","0.0513","","","0.137","0.138","","","","","","1.058","","","","has coordinates","248434","2020-10-21","18:00:00",""
"4134371","9.5732","0.0002","12.8414","0.0003","13.5828","0.0002","95.53","0.002","105.779","0.002","100.114","0.002","1563.48","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","1","1","","Ociepa, Micha; Wierzba, Aleksandra J.; Turkowska, Joanna; Gryko, Dorota","Polarity-Reversal Strategy for Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00245","","","0.71073","MoKα","","0.0343","0.0315","","","0.0716","0.0734","","","","","","1.019","","","","has coordinates","249209","2020-10-21","18:00:00",""
"4134608","7.9199","0.0002","11.2795","0.0003","14.9844","0.0004","91.4157","0.0017","90.3788","0.0019","90.853","0.002","1338","0.06","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C16 H17 F3 -","- C15.9993 H17 F2.99775 -","- C63.997 H68 F11.991 -","4","4","","Kutateladze, Dennis A.; Strassfeld, Daniel A.; Jacobsen, Eric N.","Enantioselective Tail-to-Head Cyclizations Catalyzed by Dual-Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02665","","","1.54178","CuKα","","0.0602","0.0511","","","0.1281","0.1356","","","","","","1.03","","","","has coordinates,has disorder","250010","2020-10-21","18:00:00",""
"4134635","13.3029","0.0003","14.1443","0.0003","15.9246","0.0004","112.076","0.002","111.146","0.002","92.244","0.002","2536.25","0.12","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","1","1","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","0.71073","MoKα","","0.0894","0.0589","","","0.1098","0.1257","","","","","","1.028","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134737","9.2973","0.001","10.4393","0.0011","15.0098","0.0015","102.391","0.003","99.151","0.003","115.642","0.002","1229.1","0.2","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C64 H36 I4 -","- C64 H36 I4 -","- C64 H36 I4 -","1","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1308","0.0654","","","0.0912","0.1056","","","","","","1.06","","","","has coordinates","250859","2020-10-21","18:00:00",""
"4134917","9.7525","0.0002","10.9189","0.0002","11.7345","0.0002","115.117","0.0011","96.8758","0.0012","106.146","0.0011","1045.39","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H24 Br F3 O2 Si -","- C19.9995 H24 Br F2.9985 O2 Si -","- C39.999 H48 Br2 F5.997 O4 Si2 -","2","2","","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","","0.0247","0.0234","","","0.0582","0.0587","","","","","","1.029","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4135037","5.0937","0.0003","10.171","0.0006","10.7742","0.0006","85.704","0.002","77.91","0.002","89.183","0.002","544.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","1","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","1.54178","CuKα","","0.039","0.0378","","","0.1011","0.1027","","","","","","1.056","","","","has coordinates,has disorder","252501","2020-10-21","18:00:00",""
"4135054","13.4672","0.0004","15.7188","0.0004","20.5224","0.0005","111.532","0.002","90.341","0.002","109.649","0.003","3764.1","0.2","130.01","0.1","130.01","0.1","","","","","","","","7","P 1","P 1","1","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate","","- C68.58 H75.16 Br4 Cl2 Co2 N8 O15.86 -","- C68.5815 H75.163 Br4 Cl2 Co2 N8 O15.8605 -","- C137.163 H150.326 Br8 Cl4 Co4 N16 O31.721 -","2","2","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0958","0.098","","","","","","1.046","","","","has coordinates,has disorder","252579","2020-10-21","18:00:00",""
"4135233","11.9932","0.0003","12.6212","0.0003","17.8528","0.0004","86.402","0.001","87.426","0.001","65.937","0.001","2462.09","0.1","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","4","","Ma, Chun; Sheng, Feng-Tao; Wang, Hai-Qing; Deng, Shuang; Zhang, Yu-Chen; Jiao, Yinchun; Tan, Wei; Shi, Feng","Atroposelective Access to Oxindole-Based Axially Chiral Styrenes via the Strategy of Catalytic Kinetic Resolution.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00208","","","1.34139","GaKα","","0.0454","0.0435","","","0.1186","0.1207","","","","","","1.042","","","","has coordinates","255851","2020-10-21","18:00:00",""
"4135274","11.0288","0.0002","14.2907","0.0003","14.774","0.0003","70.148","0.001","70.769","0.001","84.111","0.001","2067.82","0.07","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H33 Cl3 N4 O -","- C53 H33 Cl3 N4 O -","- C106 H66 Cl6 N8 O2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0743","0.0578","","","0.143","0.1605","","","","","","1.005","","","","has coordinates,has disorder","258707","2020-11-04","01:22:24",""
"4135277","10.9982","0.0009","16.8852","0.0014","23.75","0.002","88.085","0.003","79.744","0.003","73.887","0.002","4169","0.6","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C105 H65 Cl3 N8 S2 -","- C105 H65 Cl3 N8 S2 -","- C210 H130 Cl6 N16 S4 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.157","0.0904","","","0.2195","0.2716","","","","","","1.017","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135278","10.7744","0.0011","13.9056","0.0015","15.4119","0.0015","109.438","0.003","107.172","0.003","93.623","0.003","2046.7","0.4","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H34 Cl2 N4 S -","- C53 H34 Cl2 N4 S -","- C106 H68 Cl4 N8 S2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.169","0.0927","","","0.2361","0.3014","","","","","","1.015","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135280","8.9752","0.0003","12.9775","0.0004","14.8463","0.0005","71.874","0.001","85.865","0.001","84.038","0.001","1633.08","0.09","170","2","170","","","","","","","","","6","P 1","P 1","1","","","","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","1","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0555","0.0551","","","0.1508","0.1514","","","","","","1.018","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135352","10.0717","0.0017","11.556","0.002","12.004","0.002","61.262","0.006","73.979","0.006","81.524","0.006","1177.3","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","1","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0465","0.0385","","","0.0925","0.0966","","","","","","1.006","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135481","13.713","0.0005","13.7765","0.0004","15.619","0.0004","86.125","0.002","86.183","0.003","60.219","0.003","2553.29","0.16","100","0.2","100","0.2","","","","","","","","6","P 1","P 1","1","","","","- C39 H74 Au0.5 K0.5 N O35 -","- C39 H74 Au0.49995 K0.5 N O35 -","- C78 H148 Au0.9999 K N2 O70 -","2","2","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0763","0.0571","","","0.1313","0.1383","","","","","","1.032","","","","has coordinates,has disorder","260322","2021-01-01","00:19:47",""
"4135483","13.7332","0.0005","13.7848","0.0005","15.6408","0.0007","86.135","0.004","86.215","0.003","60.269","0.004","2563.5","0.2","99.98","0.17","99.98","0.17","","","","","","","","6","P 1","P 1","1","","","","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","1","1","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0791","0.0755","","","0.1968","0.1988","","","","","","1.102","","","","has coordinates,has disorder","260324","2021-01-01","00:20:44",""
"4135572","23.3169","0.0015","27.5437","0.001","27.5621","0.0019","104.102","0.004","106.303","0.006","107.895","0.005","15076.1","1.9","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C552 H448 F120 Ir4 N64 O8 P20 Zn8 -","2","2","","August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J","A Chiral Cyclometalated Iridium Star of David [2]Catenane.","Journal of the American Chemical Society","2021","143","2","1154","1161","10.1021/jacs.0c12038","","x-ray","0.6889","synchrotron","","0.2053","0.14","","","0.324","0.3499","","","","","","1.759","","","","has coordinates","261451","2021-02-04","00:37:34",""
"4135573","23.1012","0.0015","27.4445","0.0015","27.498","0.0014","104.285","0.005","106.658","0.005","107.91","0.005","14781.4","1.8","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C552 H448 F120 Ir4 N64 O8 P20 Zn8 -","2","2","","August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J","A Chiral Cyclometalated Iridium Star of David [2]Catenane.","Journal of the American Chemical Society","2021","143","2","1154","1161","10.1021/jacs.0c12038","","x-ray","0.6889","synchrotron","","0.1994","0.1498","","","0.3489","0.3738","","","","","","2.19","","","","has coordinates","261452","2021-02-04","00:38:09",""
"4300398","11.4506","0.0004","11.4944","0.0004","12.199","0.0003","102.217","0.002","105.351","0.001","111.979","0.001","1346.34","0.07","153","2","153","2","","","","","","","","9","P 1","P 1","1","","","","- C58 H49 B Cl F4 N3 O6.5 P2 Ru -","- C58 H49 B Cl F4 N3 O6.5 P2 Ru -","- C58 H49 B Cl F4 N3 O6.5 P2 Ru -","1","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051032w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300428","6.8504","0.001","8.4092","0.0012","11.5982","0.0017","110.934","0.006","97.226","0.006","96.238","0.006","610.51","0.15","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H24 Ag2 B2 F8 N6 -","- C18 H24 Ag2 B2 F8 N6 -","- C18 H24 Ag2 B2 F8 N6 -","1","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300577","9.96","0.002","11.612","0.002","12.478","0.003","66.605","0.004","72.437","0.004","78.481","0.004","1257.5","0.4","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H58 Cl Er N3 P3 Si2 -","- C51 H58 Cl Er N3 P3 Si2 -","- C51 H58 Cl Er N3 P3 Si2 -","1","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300578","9.9874","0.0004","11.6417","0.0005","12.5038","0.0005","66.475","0.003","72.14","0.003","78.311","0.003","1263.38","0.09","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","1","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203901","2020-10-21","18:00:00",""
"4300579","9.978","0.003","11.624","0.003","12.495","0.004","66.644","0.005","72.282","0.006","78.429","0.006","1262","0.6","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","1","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300868","10.6217","0.0002","10.6283","0.0002","10.8588","0.0002","83.6308","0.0008","88.2839","0.0008","76.1307","0.0009","1182.76","0.04","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H24 B2 Cl2 F30 N2 -","- C45 H24 B2 Cl2 F30 N2 -","- C45 H24 B2 Cl2 F30 N2 -","1","1","","Gabriele Schatte; Tristram Chivers; Heikki M. Tuononen; Reijo Suontamo; Risto Laitinen; Jussi Valkonen","Experimental and Theoretical Investigations of Tellurium(IV) Diimides and Imidotelluroxanes: X-ray Structures of B(C6F5)3 Adducts of OTe(μ-NtBu)2TeNtBu, [OTe(μ-NtBu)2Te(μ-O)]2 and tBuNH2","Inorganic Chemistry","2005","44","","443","451","10.1021/ic048565+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300879","12.7762","0.001","13.0956","0.001","13.8554","0.001","75.634","0.003","63.234","0.003","89.519","0.003","1990.7","0.3","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H61 Al Cl N2 O3.5 -","- C40.5 H61 Al Cl N2 O3.5 -","- C81 H122 Al2 Cl2 N4 O7 -","2","2","","Chen, Peter; Chisholm, Malcolm H.; Gallucci, Judith C.; Zhang, Xiangyang; Zhou, Zhiping","Binding of Propylene Oxide to Porphyrin- and Salen‒M(III) Cations, Where M = Al, Ga, Cr, and Co","Inorganic Chemistry","2005","44","8","2588","2595","10.1021/ic048597x","","","0.71073","MoKα","","0.0768","0.0572","","","0.1451","0.1569","","","","","","1.029","","","","has coordinates,has disorder","210175","2020-10-21","18:00:00",""
"4300880","12.554","0.001","12.887","0.001","14.614","0.001","80.61","0.003","85.652","0.003","67.263","0.004","2151.1","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 1","P 1","1","Chisholm1269","","","- C45.5 H62.5 Al N3.5 O4 -","- C46 H60 Al N3 O4 -","- C92 H120 Al2 N6 O8 -","2","2","","Chen, Peter; Chisholm, Malcolm H.; Gallucci, Judith C.; Zhang, Xiangyang; Zhou, Zhiping","Binding of Propylene Oxide to Porphyrin- and Salen‒M(III) Cations, Where M = Al, Ga, Cr, and Co","Inorganic Chemistry","2005","44","8","2588","2595","10.1021/ic048597x","","x-ray","0.71073","MoKα","","0.0671","0.0526","","","0.1324","0.142","","","","","","1.041","","","","has coordinates,has disorder","210175","2020-10-21","18:00:00",""
"4301527","10.9271","0.0009","11.609","0.001","13.206","0.0011","65.961","0.001","83.092","0.001","63.942","0.001","1370.9","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C52 H78 Mn3 N4 O11 -","- C52 H76 Mn3 N4 O11 -","- C52 H76 Mn3 N4 O11 -","1","1","","Debdas Mandal; Pabitra Baran Chatterjee; Shubhajit Bhattacharya; Ki-Young Choi; Rodolphe Clérac; Muktimoy Chaudhury","Tetra-, Tri-, and Mononuclear Manganese(II/III) Complexes of a Phenol-Based N2O2 Capping Ligand: Use of Carboxylates as Ancillary Ligands in Tuning the Nuclearity of the Complexes","Inorganic Chemistry","2009","48","","1826","1835","10.1021/ic801132r","","","0.71073","MoKα","","0.0551","0.0381","","","0.09","0.0993","","","","","","1.016","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301772","10.359","0.006","12.437","0.007","18.888","0.011","94.599","0.009","104.701","0.009","101.002","0.009","2289","2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H27 Cl2 Cu N6 O4.5 -","- C18 H22 Cl2 Cu N6 O4.5 -","- C72 H88 Cl8 Cu4 N24 O18 -","4","4","","Ashis K. Patra; Tuhin Bhowmick; Sovan Roy; Suryanarayanarao Ramakumar; Akhil R. Chakravarty","Copper(II) Complexes ofl-Arginine as Netropsin Mimics Showing DNA Cleavage Activity in Red Light","Inorganic Chemistry","2009","48","","2932","2943","10.1021/ic8017425","","","0.71073","MoKα","","0.0588","0.0454","","","0.1226","0.1326","","","","","","1.025","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4302184","6.4633","0.001","7.0452","0.0013","7.0745","0.0012","85.351","0.005","77.678","0.005","73.276","0.004","301.34","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H16 B N O12 Sr -","- C4 H7 B N O12 Sr -","- C4 H7 B N O12 Sr -","1","1","","Xiaoyun Fan; Shilie Pan; Xueling Hou; Gang Liu; Jide Wang","Semiorganic Nonlinear Optical Material: Preparation and Properties of (NH4).Sr[l-(+)-C4H2O6.B(OH)2].4H2O","Inorganic Chemistry","2009","48","","4806","4810","10.1021/ic802448z","","","0.71073","MoKα","","0.0395","0.0391","","","0.0937","0.0938","","","","","","1.024","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302503","3.072","","12.516","","3.873","","90","","90","","90","","148.914","","","","","","","","","","","","","3","P 1","P 1","1","","","","?","- H2 O8 V4 -","- H2 O8 V4 -","","","","Changzheng Wu; Xiaodong Zhang; Bo Ning; Jinlong Yang; Yi Xie","Shape Evolution of New-Phased Lepidocrocite VOOH from Single-Shelled to Double-Shelled Hollow Nanospheres on the Basis of Programmed Reaction-Temperature Strategy","Inorganic Chemistry","2009","48","","6044","6054","10.1021/ic900416v","","","","","","","","","","","","","","","","","","","","","has coordinates","179063","2020-10-21","18:00:00",""
"4303215","9.5055","0.0002","13.0026","0.0003","17.1668","0.0003","77.2809","0.0011","85.5001","0.0012","77.6417","0.001","2020.63","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C84 H124 K O12 -","- C84 H124 K O12 -","- C84 H124 K O12 -","1","1","","Andrzej W. Misiołek; Andrew S. Ichimura; Robert A. Gentner; Rui H. Huang; Vanessa P. McCaffrey; James E. Jackson","Building Blocks for Molecule-Based Magnets: Radical Anions and Dianions of Substituted 3,6-Dimethylenecyclohexane-1,2,4,5-tetrones as Paramagnetic Bridging Ligands","Inorganic Chemistry","2009","48","","9005","9017","10.1021/ic901390n","","","0.71073","MoKα","","0.1437","0.0844","","","0.243","0.3117","","","","","","0.91","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303216","16.077","0.003","16.242","0.003","18.788","0.004","64.52","0.03","72.45","0.03","88.43","0.03","4193","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C84 H132 Na O16 -","- C84 H132 Na O16 -","- C168 H264 Na2 O32 -","2","2","","Andrzej W. Misiołek; Andrew S. Ichimura; Robert A. Gentner; Rui H. Huang; Vanessa P. McCaffrey; James E. Jackson","Building Blocks for Molecule-Based Magnets: Radical Anions and Dianions of Substituted 3,6-Dimethylenecyclohexane-1,2,4,5-tetrones as Paramagnetic Bridging Ligands","Inorganic Chemistry","2009","48","","9005","9017","10.1021/ic901390n","","","0.71073","MoKα","","0.2024","0.0653","","","0.1467","0.2049","","","","","","0.877","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4303320","13.102","0.0016","13.659","0.0017","14.6292","0.0018","63.067","0.002","63.803","0.002","65.072","0.002","2012.4","0.4","100","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C83 H93 Mn4 N5 O15 -","- C83 H93 Mn4 N5 O15 -","- C83 H93 Mn4 N5 O15 -","1","1","","Taketo Taguchi; Matthew R. Daniels; Khalil A. Abboud; George Christou","Mn4, Mn6, and Mn11 Clusters from the Use of Bulky Diphenyl(pyridine-2-yl)methanol","Inorganic Chemistry","2009","48","","9325","9335","10.1021/ic901306k","","","0.71073","MoKα","","0.0707","0.0628","","","0.1509","0.1558","","","","","","1.002","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303626","9.6679","0.0003","10.4061","0.0003","15.1487","0.0006","98.195","0.002","103.674","0.002","90.02","0.001","1464.8","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","tetrabutylammonium-pentachloridotriazoleosmate(IV) ethanol solvate","","- C20 H45 Cl5 N4 O Os -","- C20 H45 Cl5 N4 O Os -","- C40 H90 Cl10 N8 O2 Os2 -","2","2","","Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Vladimir B. Arion; Bernhard K. Keppler","[OsIVCl5(Hazole)]- Complexes: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Inorganic Chemistry","2009","48","","10737","10747","10.1021/ic901671j","","","0.71073","MoKα","","0.029","0.0264","","","0.0659","0.0669","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304677","8.5421","0.0006","12.6379","0.0009","16.1571","0.0011","104.594","0.005","98.425","0.006","97.44","0.005","1644.3","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C48 H93.5 Cr2 Cu3 N24 O4.75 -","- C48 H89.5 Cr2 Cu3 N24 O4.75 -","- C48 H89.5 Cr2 Cu3 N24 O4.75 -","1","1","","Olha Sereda; Joan Ribas; Helen Stoeckli-Evans","New 3D and Chiral 1D CuIICrIII Coordination Polymers Exhibiting Ferromagnetism","Inorganic Chemistry","2008","47","","5107","5113","10.1021/ic702234y","","","0.71073","MoKα","","0.0446","0.0395","","","0.0981","0.0999","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304678","8.5435","0.0008","12.6309","0.0012","16.1711","0.0017","104.632","0.008","98.429","0.008","97.375","0.008","1645.1","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C48 H93 Cr2 Cu3 N24 O4.25 -","- C48 H90 Cr2 Cu3 N24 O4.25 -","- C48 H90 Cr2 Cu3 N24 O4.25 -","1","1","","Olha Sereda; Joan Ribas; Helen Stoeckli-Evans","New 3D and Chiral 1D CuIICrIII Coordination Polymers Exhibiting Ferromagnetism","Inorganic Chemistry","2008","47","","5107","5113","10.1021/ic702234y","","","0.71073","MoKα","","0.0453","0.0343","","","0.0648","0.069","","","","","","0.946","","","","has coordinates","179084","2020-10-21","18:00:00",""
"4305292","10.695","0.002","11.316","0.002","12.455","0.003","63.165","0.003","87.923","0.003","87.683","0.003","1343.7","0.5","100","2","100","2","","","","","","","","9","P 1","P 1","1","","","","- C58 H71 B Cl F4 N3 O P2 Ru -","- C58 H71 B Cl F4 N3 O P2 Ru -","- C58 H71 B Cl F4 N3 O P2 Ru -","1","1","","Xavier Sala; Albert Poater; Alexander von Zelewsky; Teodor Parella; Xavier Fontrodona; Isabel Romero; Miquel Solà; Montserrat Rodríguez; Antoni Llobet","New Ruthenium(II) Complexes with Enantiomerically Pure Bis- and Tris(pinene)-Fused Tridentate Ligands. Synthesis, Characterization and Stereoisomeric Analysis","Inorganic Chemistry","2008","47","","8016","8024","10.1021/ic800252f","","","0.71073","MoKα","","0.029","0.0278","","","0.0753","0.0865","","","","","","1.111","","","","has coordinates,has disorder","179090","2020-10-21","18:00:00",""
"4305397","14.4259","0.0003","16.2725","0.0004","22.5593","0.0005","86.092","0.001","78.952","0.001","65.114","0.001","4714.48","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","(K-crypt)3[Sn9-C(CH3)3].2py","","- C68 H127 K3 N8 O18 Sn9 -","- C68 H127 K3 N8 O18 Sn9 -","- C136 H254 K6 N16 O36 Sn18 -","2","2","","Donald J. Chapman; Slavi C. Sevov","Tin-Based Organo-Zintl Ions: Alkylation and Alkenylation of Sn94-","Inorganic Chemistry","2008","47","","6009","6013","10.1021/ic800383c","","","0.71073","MoKα","","0.0406","0.0348","","","0.0878","0.091","","","","","","1.037","","","","has coordinates,has disorder","179091","2020-10-21","18:00:00",""
"4305512","7.2458","0.0005","9.6065","0.0006","12.8276","0.0008","80.329","0.001","88.754","0.001","85.515","0.001","877.47","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","2","[(NH~3~)~5~Ru(III)(2,4-dihydroxybenzoate)]^.^SO~4~^.^0.5(CH~3~)~2~NCHO","","- C17 H47 N11 O17 Ru2 S2 -","- C17 H47 N11 O17 Ru2 S2 -","- C17 H47 N11 O17 Ru2 S2 -","1","1","","Karsten Krogh-Jespersen; Robert T. Stibrany; Elizabeth John; John D. Westbrook; Thomas J. Emge; Michael J. Clarke; Joseph A. Potenza; Harvey J. Schugar","Solid-State Changes in Ligand-to-Metal Charge-Transfer Spectra of (NH3)5RuIII(2,4-dihydroxybenzoate) and (NH3)5RuIII(xanthine) Chromophores","Inorganic Chemistry","2008","47","","9813","9827","10.1021/ic800511g","","","0.71073","MoKα","","0.0402","0.0396","","","0.1033","0.104","","","","","","1","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305515","9.6174","0.0008","12.864","0.002","7.332","0.001","90.97","0.01","93.92","0.01","80.923","0.008","893.6","0.2","298","1","298","1","","","","","","","","6","P 1","P 1","1","2","[(NH~3~)~5~Ru(III)(2,4-dihydroxybenzoate)]^.^SO~4~^.^0.5(CH~3~)~2~NCHO","","- C17 H47 N11 O17 Ru2 S2 -","- C17 H47 N11 O17 Ru2 S2 -","- C17 H47 N11 O17 Ru2 S2 -","1","1","","Karsten Krogh-Jespersen; Robert T. Stibrany; Elizabeth John; John D. Westbrook; Thomas J. Emge; Michael J. Clarke; Joseph A. Potenza; Harvey J. Schugar","Solid-State Changes in Ligand-to-Metal Charge-Transfer Spectra of (NH3)5RuIII(2,4-dihydroxybenzoate) and (NH3)5RuIII(xanthine) Chromophores","Inorganic Chemistry","2008","47","","9813","9827","10.1021/ic800511g","","","0.71073","MoKα","","0.0298","0.0283","","","0.0659","0.0668","","","","","","1","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305518","13.954","0.0007","24.6367","0.0012","24.7809","0.0013","81.901","0.003","80.008","0.003","74.554","0.003","8046.6","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C214 H186 Cl10 Cu3 N18 O18 -","- C214 H186 Cl10 Cu3 N18 O18 -","- C214 H186 Cl10 Cu3 N18 O18 -","1","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","","0.1274","0.0691","","","0.1447","0.1622","","","","","","0.852","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305567","11.887","0.003","23.689","0.006","23.812","0.007","61.958","0.003","84.894","0.003","85.547","0.003","5890","3","0","","273","2","","","","","","","","6","P 1","P 1","1","","[N-methyl-N,N',N'-tris(2-pyridylmethylethane-1,2-diamine Mn H2O] ](BPh4)2","","- C69 H65 B2 Mn N5 O -","- C69 H65 B2 Mn N5 O -","- C276 H260 B8 Mn4 N20 O4 -","4","4","","Christelle Hureau; Sihem Groni; Régis Guillot; Geneviève Blondin; Carole Duboc; Elodie Anxolabéhère-Mallart","Syntheses, X-ray Structures, Solid State High-Field Electron Paramagnetic Resonance, and Density-Functional Theory Investigations on Chloro and Aqua MnII Mononuclear Complexes with Amino-Pyridine Pentadentate Ligands","Inorganic Chemistry","2008","47","","9238","9247","10.1021/ic800551u","","x-ray","0.7107","MoKα","","0.157","0.0794","","0.1883","0.0971","0.1394","","","","","","1.073","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305648","5.0218","0.0011","5.0344","0.0011","25.438","0.005","88.593","0.003","88.101","0.003","84.484","0.004","639.6","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","Manganese Carboxylate","","","- C28 H22 K0 Mn N0 O12 -","- C28 H22 Mn O12 -","- C28 H22 Mn O12 -","1","1","","Partha Mahata; Manikanda Prabu; Srinivasan Natarajan","Role of Temperature and Time in the Formation of Infinite -M-O-M- Linkages and Isolated Clusters in MOFs: A Few Illustrative Examples","Inorganic Chemistry","2008","47","","8451","8463","10.1021/ic800621q","","","0.71073","MoKα","","0.0666","0.0635","","","0.1635","0.1683","","","","","","1.042","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305808","11.196","0.0009","11.9875","0.0009","13.5929","0.0011","110.429","0.002","104.05","0.002","105.843","0.002","1524.6","0.2","130","2","130","2","","","","","","","","8","P 1","P 1","1","compound 5a","","","- C47 H60 Ag2 B2 Cr2 F8 N6 O16 -","- C47 H60 Ag2 B2 Cr2 F8 N6 O16 -","- C47 H60 Ag2 B2 Cr2 F8 N6 O16 -","1","1","","Malgorzata Kondracka; Ulli Englert","Bimetallic Coordination Polymers via Combination of Substitution-Inert Building Blocks and Labile Connectors","Inorganic Chemistry","2008","47","","10246","10257","10.1021/ic800748f","","","0.71073","MoKα","","0.0706","0.0544","","","0.1147","0.1216","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305832","6.7488","0.0013","11.358","0.002","11.931","0.002","115.53","0.03","98.35","0.03","94.26","0.03","806.8","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H17 Cl2 N2 O3 Re -","- C12 H17 Cl2 N2 O3 Re -","- C24 H34 Cl4 N4 O6 Re2 -","2","2","","Sucharita Basak; Kajal Krishna Rajak","Synthesis, Structure, and Spectroscopic Properties of Chiral Oxorhenium(V) Complexes Incorporating Polydentate Ligands Derived froml-Amino Acids: A Density Functional Theory/Time-Dependent Density Functional Theory Investigation","Inorganic Chemistry","2008","47","","8813","8822","10.1021/ic800764n","","","0.71073","MoKα","","0.0355","0.0303","","","0.0758","0.0779","","","","","","1.057","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305936","7.9273","0.0016","10.556","0.002","13.155","0.003","107.26","0.03","107.06","0.03","90.65","0.03","999.1","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C35 H27 N7 O9 Zn2 -","- C35 H27 N7 O9 Zn2 -","- C35 H27 N7 O9 Zn2 -","1","1","","Ming Xue; Shengqian Ma; Zhao Jin; Roxanna M. Schaffino; Guang-Shan Zhu; Emil B. Lobkovsky; Shi-Lun Qiu; Banglin Chen","Robust Metal-Organic Framework Enforced by Triple-Framework Interpenetration Exhibiting High H2 Storage Density","Inorganic Chemistry","2008","47","","6825","6828","10.1021/ic800854y","","","0.71073","MoKα","","0.0765","0.0686","","","0.1833","0.1952","","","","","","1.005","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305937","7.7567","0.0003","10.3763","0.0004","13.0585","0.0005","106.657","0.002","105.864","0.002","91.854","0.002","961.56","0.07","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H20 N6 O8 Zn2 -","- C32 H20 N6 O8 Zn2 -","- C32 H20 N6 O8 Zn2 -","1","1","","Ming Xue; Shengqian Ma; Zhao Jin; Roxanna M. Schaffino; Guang-Shan Zhu; Emil B. Lobkovsky; Shi-Lun Qiu; Banglin Chen","Robust Metal-Organic Framework Enforced by Triple-Framework Interpenetration Exhibiting High H2 Storage Density","Inorganic Chemistry","2008","47","","6825","6828","10.1021/ic800854y","","","0.71073","MoKα","","0.0566","0.0427","","","0.0974","0.1045","","","","","","1.112","","","","has coordinates,has disorder","179097","2020-10-21","18:00:00",""
"4306166","8.047","0.004","9.393","0.005","12.944","0.007","101.94","0.02","93.56","0.03","93.3","0.03","952.9","0.9","120","2","120","2","","","","","","","","5","P 1","P 1","1","","catena-pentachlorobis(1,2-bis(dimethylphosphino)benzene)diindium(III) tetrachloroindate(III)","","- C20 H32 Cl9 In3 P4 -","- C20 H32 Cl9 In3 P4 -","- C20 H32 Cl9 In3 P4 -","1","1","","Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides","Inorganic Chemistry","2008","47","","9691","9700","10.1021/ic801091n","","","0.71073","MoKα","","0.1189","0.0796","","","0.1516","0.1708","","","","","","1.123","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306381","8.0812","0.0003","8.1092","0.0003","13.7815","0.0005","77.576","0.002","76.722","0.002","62.659","0.001","774.49","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C9 H8 F6 N2 O6 S2 -","- C9 H8 F6 N2 O6 S2 -","- C18 H16 F12 N4 O12 S4 -","2","2","","Peter Nockemann; Ben Thijs; Tatjana N. Parac-Vogt; Kristof Van Hecke; Luc Van Meervelt; Bernard Tinant; Ingo Hartenbach; Thomas Schleid; Vu Thi Ngan; Minh Tho Nguyen; Koen Binnemans","Carboxyl-Functionalized Task-Specific Ionic Liquids for Solubilizing Metal Oxides","Inorganic Chemistry","2008","47","","9987","9999","10.1021/ic801213z","","","1.54178","CuKα","","0.0453","0.0447","","","0.1093","0.1099","","","","","","1.029","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4306873","9.5807","0.0014","9.9959","0.0015","11.423","0.0017","84.33","0.003","85.224","0.003","62.268","0.003","962.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H34 Fe2 N10 O7 P2 -","- C34 H34 Fe2 N10 O7 P2 -","- C34 H34 Fe2 N10 O7 P2 -","1","1","","Deng-Ke Cao; Jing Xiao; Jian-Wei Tong; Yi-Zhi Li; Li-Min Zheng","Metal Phosphonates Based on Bis(benzimidazol-2-ylmethyl)imino Methylenephosphonate: From Discrete Dimer to Two-Dimensional Network Containing Metallomacrocycles","Inorganic Chemistry","2007","46","","428","436","10.1021/ic060990a","","","0.71073","MoKα","","0.0727","0.0617","","","0.1394","0.1428","","","","","","1.079","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306983","12.852","0.002","13.046","0.002","13.196","0.003","65.167","0.004","76.711","0.005","79.219","0.005","1943.9","0.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C66 H52 Cl6 Cu3 N24 O2 -","- C66 H52.002 Cl6 Cu3 N24 O2.001 -","- C66 H52.002 Cl6 Cu3 N24 O2.001 -","1","1","","Jingwen Chen; Xiaoyong Wang; Ying Shao; Jianhui Zhu; Yangguang Zhu; Yizhi Li; Qiang Xu; Zijian Guo","A Trinuclear Copper(II) Complex of 2,4,6-Tris(di-2-pyridylamine)-1,3,5-triazine Shows Prominent DNA Cleavage Activity","Inorganic Chemistry","2007","46","","3306","3312","10.1021/ic0614162","","","0.71073","MoKα","","0.0652","0.055","","","0.1267","0.1299","","","","","","1.047","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4307358","8.406","0.0013","10.4494","0.0016","14.278","0.002","104.405","0.003","90.34","0.003","99.668","0.003","1196","0.3","203","2","203","2","","","","","","","","6","P 1","P 1","1","18 Ti(OPy)2(4-MP)2","","","- C24 H22 N2 O4 S2 Ti -","- C24 H22 N2 O4 S2 Ti -","- C48 H44 N4 O8 S4 Ti2 -","2","2","","Timothy J. Boyle; Robin M. Sewell; Leigh Anna M. Ottley; Harry D. Pratt; Christopher J. Quintana; Scott D. Bunge","Controlled Synthesis of a Structurally Characterized Family of Sterically Constrained Heterocyclic Alkoxy-Modified Titanium Alkoxides","Inorganic Chemistry","2007","46","","1825","1835","10.1021/ic0618798","","","0.71073","MoKα","","0.0821","0.0766","","","0.1442","0.1492","","","","","","1.064","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307550","10.6093","0.001","16.035","0.0014","16.561","0.0017","90.382","0.011","92.563","0.012","96.208","0.011","2797.8","0.5","123","","123","1","","","","","","","see text","7","P 1","P 1","1","","","","- C80 H120 As8 Cl8 Cu8 Mo8 S12 -","- C80 H120 As8 Cl8 Cu8 Mo8 S12 -","- C80 H120 As8 Cl8 Cu8 Mo8 S12 -","1","1","","Michael Pronold; Manfred Scheer; Joachim Wachter; Manfred Zabel","Investigation into the Formation of Supramolecular Compounds from Mixed As/S-Ligand Complexes [(Cp*Mo)2As2S3] (Cp* = C5Me5) and Copper Halides","Inorganic Chemistry","2007","46","","1396","1400","10.1021/ic062052g","","","0.71073","MoKα","","0.0568","0.0361","","","0.0758","0.0792","","","","","","0.815","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307551","10.5935","0.0012","16.3714","0.0018","16.6376","0.0018","91.103","0.013","92.323","0.014","97.429","0.013","2858","0.6","293","","123","1","","","","","","","see text","7","P 1","P 1","1","","","","- C80 H120 As8 Br8 Cu8 Mo8 S12 -","- C80 H120 As8 Br8 Cu8 Mo8 S12 -","- C80 H120 As8 Br8 Cu8 Mo8 S12 -","1","1","","Michael Pronold; Manfred Scheer; Joachim Wachter; Manfred Zabel","Investigation into the Formation of Supramolecular Compounds from Mixed As/S-Ligand Complexes [(Cp*Mo)2As2S3] (Cp* = C5Me5) and Copper Halides","Inorganic Chemistry","2007","46","","1396","1400","10.1021/ic062052g","","","0.71073","MoKα","","0.0545","0.0369","","","0.0815","0.0847","","","","","","0.848","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307938","10.9708","0.0015","11.675","0.0013","13.7319","0.0015","69.463","0.002","68.356","0.002","70.839","0.002","1490.5","0.3","193","2","193","2","","","","","","","","6","P 1","P 1","1","(Et4N)2[23]","","","- C44 H82 N8 S8 Se2 W2 -","- C44 H82 N8 S8 Se2 W2 -","- C44 H82 N8 S8 Se2 W2 -","1","1","","Stanislav Groysman; R. H. Holm","Synthesis and Structures of Bis(dithiolene)tungsten(IV,VI) Thiolate and Selenolate Complexes: Approaches to the Active Sites of Molybdenum and Tungsten Formate Dehydrogenases","Inorganic Chemistry","2007","46","","4090","4102","10.1021/ic062441a","","","0.71073","MoKα","","0.0285","0.0265","","","0.07","0.0717","","","","","","1.038","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4308228","12.55","0.016","12.544","0.015","14.634","0.017","95.28","0.11","108.02","0.1","115.35","0.09","1911","5","200","1","200","1","","","","","","","","8","P 1","P 1","1","","","","- C28 H110 Cl8 Co4 N20 O33 Pt2 S4 -","- C28 H84 Cl8 Co4 N20 O33 Pt2 S4 -","- C28 H84 Cl8 Co4 N20 O33 Pt2 S4 -","1","1","","Zentaro Matsumoto; Takashi Aridomi; Asako Igashira-Kamiyama; Tatsuya Kawamoto; Takumi Konno","Proton-Induced Cis-Trans Conversion of a Platinum(II) Center Coordinated by l-Cysteinatocobalt(III) Metalloligands","Inorganic Chemistry","2007","46","","2968","2970","10.1021/ic070265f","","","0.71075","MoKα","","0.0419","0.0348","","","0.0943","0.1164","","","","","","0.998","","","","has coordinates,has disorder","179120","2020-10-21","18:00:00",""
"4308330","11.6421","0.0002","12.9269","0.0001","13.2228","0.0001","64.151","0.006","82.562","0.009","73.24","0.008","1714.79","0.12","153.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C58 H69 Cu4 N10 O30.5 P2 -","- C58 H52 Cu4 N10 O30.5 P2 -","- C58 H52 Cu4 N10 O30.5 P2 -","1","1","","Merii Kato; Tomoaki Tanase","Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its Phosphate Ester Exchange with ATP","Inorganic Chemistry","2005","44","","8","10","10.1021/ic0487631","","","0.7107","MoKα","","","0.0498","","","","0.1438","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308331","10.9106","0.0002","12.7652","0.0004","17.4061","0.0002","76.852","0.006","72.075","0.006","84.895","0.007","2245.64","0.13","153.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C60 H97 Cu4 N18 O46.5 P6 -","- C60 H55 Cu4 N18 O46.5 P6 -","- C60 H55 Cu4 N18 O46.5 P6 -","1","1","","Merii Kato; Tomoaki Tanase","Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its Phosphate Ester Exchange with ATP","Inorganic Chemistry","2005","44","","8","10","10.1021/ic0487631","","","0.7107","MoKα","","","0.0372","","","","0.1001","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308398","8.027","0.003","11.255","0.003","11.55","0.002","100.41","0.03","96.37","0.03","98.95","0.04","1003.4","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H49 Cl N2 O4 Pd -","- C45 H49 Cl N2 O4 Pd -","- C45 H49 Cl N2 O4 Pd -","1","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.0936","0.0464","","","0.0819","0.0955","","","","","","0.858","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308400","7.569","0.002","9.995","0.002","12.394","0.003","89.584","0.004","88.114","0.004","80.596","0.003","924.5","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H36 N2 O6 Pd -","- C40 H36 N2 O6 Pd -","- C40 H36 N2 O6 Pd -","1","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71069","MoKα","","0.098","0.0834","","","0.2107","0.2343","","","","","","1.131","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308401","7.9303","0.0005","11.1789","0.0007","11.8089","0.0007","84.133","0.001","88.154","0.001","77.393","0.0009","1016.24","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H44 N2 O7 Pd -","- C44 H44 N2 O7 Pd -","- C44 H44 N2 O7 Pd -","1","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo","""Venetian Blinds"" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols","Inorganic Chemistry","2005","44","2","431","442","10.1021/ic048896m","","","0.71073","MoKα","","0.0361","0.0315","","","0.0705","0.0729","","","","","","0.944","","","","has coordinates","210276","2020-10-21","18:00:00",""
"4308426","11.593","0.003","12.366","0.003","14.88","0.004","67.814","0.004","67.952","0.004","88.071","0.004","1816.2","0.8","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C34.5 H43.5 N6 O4.75 Pb S2 -","- C34.5 H43.5 N6 O4.75 Pb S2 -","- C69 H87 N12 O9.5 Pb2 S4 -","2","2","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.0349","0.0307","","","0.0751","0.0769","","","","","","1.123","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308713","12.981","0.0016","13.1342","0.0014","21.336","0.003","98.214","0.014","98.863","0.015","118.129","0.012","3071.2","0.8","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H100 Eu5 O15 -","- C42 H98 Eu5 O15 -","- C84 H196 Eu10 O30 -","2","2","","Marat Moustiakimov; Mikael Kritikos; Gunnar Westin","First Example of Low-Valence Ion Substitution in Ln5O(OPri)13: Mixed-Valence Europium Oxoalkoxide [EuIII4EuIIO(OPri)12(HOPri)]*HOPri","Inorganic Chemistry","2005","44","","1499","1504","10.1021/ic048575a","","","0.71073","MoKα","","0.0734","0.0715","","","0.1857","0.1873","","","","","","1.032","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4309115","15.729","0.003","16.03","0.003","17.204","0.005","96.66","0.01","93.658","0.001","118.535","0.008","3749.6","1.5","100.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C106 H132 N4 Ni5 O24 S50 -","- C106 H132 N4 Ni5 O24 S50 -","- C106 H132 N4 Ni5 O24 S50 -","1","1","","Tomoyuki Akutagawa; Kazumasa Matsuura; Asako Hashimoto; Takayoshi Nakamura","Magnetism of [Ni(dmit)2] Salts with [Meso- and (1S, 2S)-Diphenyl-1,2-Ethanediammonium]([18]crown-6)2 Supramolecular Cations","Inorganic Chemistry","2005","44","","4454","4456","10.1021/ic050241d","","","0.7107","MoKα","","","0.053","","","","0.097","","","","","","0.912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309177","7.4928","0.0005","8.948","0.0005","14.8543","0.0009","100.427","0.001","97.324","0.001","110.901","0.001","894.81","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H28 Co N6 O8 -","- C40 H28 Co N6 O8 -","- C40 H28 Co N6 O8 -","1","1","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.7107","MoKα","","0.0279","0.0265","","","0.0711","0.0728","","","","","","1.048","","","","has coordinates,has disorder","179129","2020-10-21","18:00:00",""
"4309292","8.3444","0.0004","9.5921","0.0004","15.6799","0.0009","83.8","0.01","83.23","0.01","66.76","0.01","1142.55","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H58 As Cu S4 -","- C47 H58 As Cu S4 -","- C47 H58 As Cu S4 -","1","1","","Kallol Ray; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)2]z (z= 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study","Inorganic Chemistry","2005","44","","5345","5360","10.1021/ic0507565","","","0.71073","MoKα","","0.0538","0.0471","","0.1166","0.1112","","","","1.021","1.026","1.026","","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309723","8.1394","0.001","9.0186","0.001","12.2394","0.001","68.486","0.007","74.855","0.005","67.025","0.007","762.19","0.15","203","2","203","2","","","","","","","","8","P 1","P 1","1","","(triphenylphosphine-κP)(N,N,N',N'-tetramethyl-(1R,2R)-trans- cyclohexanediamine-κ^2^N,N')copper(I) trifluoromethanesulfonate","","- C29 H37 Cu F3 N2 O3 P S -","- C29 H37 Cu F3 N2 O3 P S -","- C29 H37 Cu F3 N2 O3 P S -","1","1","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.0293","0.0282","","","0.0748","0.0756","","","","","","1.073","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309836","10.2299","0.0011","15.7752","0.0017","18.864","0.002","69.257","0.002","77.285","0.002","73.252","0.002","2702.4","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","Fe2O(O2CCH2C10H7)2tren2","","","- C50 H65 B Fe2 N10 O11 -","- C50 H65 B Fe2 N10 O11 -","- C100 H130 B2 Fe4 N20 O22 -","2","2","","Laura B. Picraux; Amanda L. Smeigh; Dong Guo; James K. McCusker","Intramolecular Energy Transfer Involving Heisenberg Spin-Coupled Dinuclear Iron-Oxo Complexes","Inorganic Chemistry","2005","44","","7846","7859","10.1021/ic0506761","","","0.71073","MoKα","","0.1404","0.0685","","","0.0783","0.0919","","","","","","0.911","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309906","13.45","0.04","14.31","0.04","19.42","0.07","107.48","0.05","103.4","0.04","98.18","0.05","3376","18","296.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C68 H60 Co2 Fe4 N8 S8 -","- C68 H60 Co2 Fe4 N8 S8 -","- C136 H120 Co4 Fe8 N16 S16 -","2","2","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.05","","","","0.155","","","","","","1.004","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4309907","13.301","0.004","14.159","0.004","19.387","0.006","106.709","0.004","103.572","0.002","98.124","0.003","3312.7","1.7","90","","","","","","","","","","","6","P 1","P 1","1","","","","- C68 H60 Co2 Fe4 N8 S8 -","- C68 H60 Co2 Fe4 N8 S8 -","- C136 H120 Co4 Fe8 N16 S16 -","2","2","","Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori","Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties","Inorganic Chemistry","2005","44","","8628","8641","10.1021/ic048285u","","","0.7107","MoKα","","","0.031","","","","0.106","","","","","","1.002","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4310004","21.651","0.004","21.922","0.004","22.055","0.004","82.113","0.003","61.153","0.003","64.889","0.003","8272","3","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C159.25 H162 Cl6.5 N3 O25.25 P6 Rh6 -","- C159.25 H126.5 Cl6.5 N3 O25.25 P6 Rh6 -","- C318.5 H253 Cl13 N6 O50.5 P12 Rh12 -","2","2","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.1633","0.0873","","","0.2195","0.2786","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310122","8.7275","0.0017","9.782","0.002","10.946","0.002","97.94","0.03","90.96","0.03","107.81","0.03","879.4","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","Silver_Mesitylenetrisulfonate","","","- C9 H13 Ag3 O12.5 S3 -","- C9 H13 Ag3 O12.5 S3 -","- C18 H26 Ag6 O25 S6 -","2","2","","Dennis J. Hoffart; Sean A. Dalrymple; George K. H. Shimizu","Structural Constraints in the Design of Silver Sulfonate Coordination Networks: Three New Polysulfonate Open Frameworks","Inorganic Chemistry","2005","44","","8868","8875","10.1021/ic0513888","","","0.71073","MoKα","","0.0227","0.0204","","","0.0545","0.0779","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310152","8.5385","0.0006","9.6593","0.0006","9.837","0.0007","103.197","0.001","106.646","0.001","94.001","0.001","748.8","0.09","90","2","90","2","","","","","","","","6","P 1","P 1","1","(DIPMAP)Cu(I)Cl.n-BuCN","","","- C31 H41 Cl Cu N5 O -","- C31 H41 Cl Cu N5 O -","- C31 H41 Cl Cu N5 O -","1","1","","Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead","Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide","Inorganic Chemistry","2005","44","","9197","9206","10.1021/ic0505697","","","0.71073","MoKα","","0.0277","0.0269","","","0.0725","0.0728","","","","","","1.062","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310191","8.7896","0.0005","8.9429","0.0005","15.3868","0.0009","106.312","0.001","93.113","0.001","113.116","0.001","1048.87","0.1","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H46 Cl4 P2 Pd2 -","- C44 H46 Cl4 P2 Pd2 -","- C44 H46 Cl4 P2 Pd2 -","1","1","","Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung","Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine","Inorganic Chemistry","2005","44","","9874","9886","10.1021/ic0509579","","","0.71073","MoKα","","0.0466","0.0374","","","0.0795","0.0825","","","","","","0.94","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310227","15.279","0.004","16.13","0.004","22.828","0.004","69.67","0.08","80.58","0.08","64.63","0.08","4766","4","193","2","193","2","","","","","","","","6","P 1","P 1","1","Compound 2 - oslla -","di Hydroxo-Cu(II) Calix[6]arene-tri(O-methyl-imidazole), di- perchlorate, solvate: five CH2Cl2, one ether","","- C174.58 H230.95 Cl8.05 Cu2 N12 O22.89 -","- C174.584 H230.948 Cl8.048 Cu2 N12 O22.89 -","- C174.584 H230.948 Cl8.048 Cu2 N12 O22.89 -","1","1","","Guillaume Izzet; Yves M. Frapart; Thierry Prangé; Karine Provost; Alain Michalowicz; Olivia Reinaud","X-ray Diffraction and EXAFS Studies of Hydroxo-Cu(II) Complexes Based on a Calix[6]arene-N3 Ligand: Evidence for a Mononuclear-Dinuclear Equilibrium Controlled by Supramolecular Features","Inorganic Chemistry","2005","44","","9743","9751","10.1021/ic0511322","","","0.952","synchrotron","","0.0884","0.0762","","","0.2194","0.2229","","","","","","1.04","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310546","10.6578","0.0007","13.3188","0.0009","13.5122","0.0006","103.439","0.003","101.316","0.003","110.051","0.003","1670.64","0.18","193","","193","","","","","","","","","7","P 1","P 1","1","","(μ~2~-terbutylisocianide)bis(terbutylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel hexafluorophosphate","","- C66 H73 Cl2 F6 N3 Ni2 P5 -","- C66 H73 Cl2 F6 N3 Ni2 P5 -","- C66 H73 Cl2 F6 N3 Ni2 P5 -","1","1","","Gregory M. Ferrence; Eugenio Simón-Manso; Brian K. Breedlove; Leah Meeuwenberg; Clifford P. Kubiak","Structural, Spectroscopic, and Electrochemical Studies of the Complexes [Ni2(μ-CNR)(CNR)2(μ-dppm)2]n+ (n= 0, 1, 2): Unusual Examples of Nickel(0)-Nickel(I) and Nickel(0)-Nickel(II) Mixed Valency","Inorganic Chemistry","2004","43","","1071","1081","10.1021/ic035021j","","","0.71073","MO-Kα","","","0.047","","","","0.115","","","","","","1.03","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310750","8.5328","0.0008","8.9443","0.0009","10.562","0.001","75.501","0.002","66.906","0.002","65.62","0.002","671.6","0.11","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H24 Ag N8 O3 P -","- C25 H24 Ag N8 O3 P -","- C25 H24 Ag N8 O3 P -","1","1","","E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Massimo Ricciutelli; Brian W. Skelton; Allan H. White","(Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures and Spectroscopic Properties of Mixed-Ligand Coordination Polymers","Inorganic Chemistry","2004","43","","2157","2165","10.1021/ic0353413","","","0.71073","MoKα","","0.029","0.028","","0.035","","0.034","","","1.019","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310925","8.4259","0.0005","10.5013","0.0007","13.0456","0.0008","86.839","0.001","80.266","0.001","89.923","0.001","1135.93","0.12","295","2","295","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H24 Cu2 N4 O4 -","- C25 H24 Cu2 N4 O4 -","- C50 H48 Cu4 N8 O8 -","2","2","","Yi-Chian Chou; Shu-Fei Huang; Rajesh Koner; Gene-Hsiang Lee; Yu Wang; Sasankasekhar Mohanta; Ho-Hsiang Wei","Ferromagnetic Exchange in Two Dicopper(II) Complexes Using a μ-Alkoxo-μ-7-azaindolate Bridge","Inorganic Chemistry","2004","43","","2759","2761","10.1021/ic035322t","","","0.71073","MoKα","","0.1098","0.0697","","","0.156","0.1801","","","","","","1.062","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310934","10.7287","0.0012","12.5147","0.0014","12.5578","0.0014","85.627","0.002","81.42","0.002","83.619","0.002","1653.8","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H48 Ag2 N11 O6 P3 -","- C18 H48 Ag2 N11 O6 P3 -","- C36 H96 Ag4 N22 O12 P6 -","2","2","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0818","0.0593","","","0.1528","0.1703","","","","","","1.041","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310970","8.7574","0.0009","14.839","0.0016","16.7222","0.0018","86.462","0.002","77.099","0.002","73.17","0.002","2027.5","0.4","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H48 Ag B F4 N2 P2 -","- C39 H48 Ag B F4 N2 P2 -","- C78 H96 Ag2 B2 F8 N4 P4 -","2","2","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","0.71073","MoKα","","0.0415","0.0402","","","0.1053","0.1068","","","","","","1.036","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4311072","11.304","0.002","13.901","0.003","7.5662","0.0014","105.688","0.008","109.808","0.013","100.349","0.015","1027.5","0.4","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H25 B7 Fe -","- C22 H25 B7 Fe -","- C44 H50 B14 Fe2 -","2","2","","Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Syntheses of Functionalized Ferratricarbadecaboranyl Complexes","Inorganic Chemistry","2004","43","","3467","3474","10.1021/ic049827a","","","0.71069","MoKα","","0.0666","0.0607","","0.1616","0.1547","","","","1.081","1.082","1.082","","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311690","9.219","0.002","13.422","0.004","8.755","0.002","93.39","0.03","110.01","0.02","101.34","0.02","988.6","0.5","143","2","143","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H16 Bi N5 O9 S -","- C15 H16 Bi N5 O9 S -","- C30 H32 Bi2 N10 O18 S2 -","2","2","","Glen G. Briand; Neil Burford; Melanie D. Eelman; Nadia Aumeerally; Luke Chen; T. Stanley Cameron; Katherine N. Robertson","Identification, Isolation, and Characterization of Cysteinate and Thiolactate Complexes of Bismuth","Inorganic Chemistry","2004","43","","6495","6500","10.1021/ic049594n","","","0.7107","MoKα","","0.1436","0.0608","","","0.1528","0.1977","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311718","11.6478","0.0007","12.4334","0.0007","13.4116","0.0008","112.265","0.001","98.256","0.001","111.902","0.001","1573.24","0.16","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C74 H62 Cl2 Co N8 O10 -","- C74 H62 Cl2 Co N8 O10 -","- C74 H62 Cl2 Co N8 O10 -","1","1","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0385","0.0365","","","0.0893","0.0903","","","","","","0.995","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4312774","9.9613","0.0003","10.5477","0.0003","11.0869","0.0004","65.2","0.0016","71.9521","0.0015","74.359","0.002","992.18","0.06","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H36 Co N10 O2 S2 -","- C40 H36 Co N10 O2 S2 -","- C40 H36 Co N10 O2 S2 -","1","1","","Dong Mok Shin; In Su Lee; Young Keun Chung","Self-Assemblies of New Rigid Angular Ligands and Metal Centers toward the Rational Construction and Modification of Novel Coordination Polymer Networks","Inorganic Chemistry","2003","42","","8838","8846","10.1021/ic0345929","","","0.71073","MoKα","","0.0517","0.0373","","","0.0879","0.0992","","","","","","1.086","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312834","11.013","0.0018","11.6451","0.0019","11.6288","0.0019","60.555","0.003","63.211","0.003","62.917","0.003","1105.7","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H26 B Mn N6 O3 -","- C22 H26 B Mn N6 O3 -","- C44 H52 B2 Mn2 N12 O6 -","2","2","","Philip J. Bailey; Pedro Pinho; Simon Parsons","A Chiral Alkyltris(pyrazolyl)borate Ligand: Synthesis of [(Ipc)B(pz)3Mn(CO)3] and [(Ipc)B(pz)3Ru(p-cymene)]PF6 (Ipc = Isopinocampheyl)","Inorganic Chemistry","2003","42","","8872","8877","10.1021/ic035061n","","","0.71073","MoKα","","0.0661","0.0541","","","0.127","0.1334","","","","","","1.003","","","","has coordinates,has disorder","179167","2020-10-21","18:00:00",""
"4312883","10.4","0.0015","10.8533","0.0015","17.598","0.003","78.639","0.003","81.833","0.003","84.934","0.003","1924","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C33 H40 Cl3 Eu N8 O5 -","- C33 H40 Cl3 Eu N8 O5 -","- C66 H80 Cl6 Eu2 N16 O10 -","2","2","","Xiao-Ping Yang; Bei-Sheng Kang; Wai-Kwok Wong; Cheng-Yong Su; Han-Qin Liu","Syntheses, Crystal Structures, and Luminescent Properties of Lanthanide Complexes with Tripodal Ligands Bearing Benzimidazole and Pyridine Groups","Inorganic Chemistry","2003","42","","169","179","10.1021/ic025799p","","","0.71073","MoKα","","0.0613","0.0418","","","0.0965","0.1043","","","","","","0.953","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312898","9.8399","0.0003","13.7785","0.0006","15.9563","0.0007","78.859","0.005","72.529","0.005","72.664","0.005","1956.97","0.15","294","","294","","","","","","","","","6","P 1","P 1","1","","","","- C72 H104 Cl4 N12 O8 Pd4 -","- C72 H80 Cl4 N12 O8 Pd4 -","- C72 H80 Cl4 N12 O8 Pd4 -","1","1","","Clément Mazet; Lutz H. Gade","Synthesis and Coordination Chemistry of the First C2-Chiral Bisoxazine Ligand","Inorganic Chemistry","2003","42","","210","215","10.1021/ic025947b","","","0.71073","Mo-Kα","","0.08","0.042","","0.482","","0.056","","","11.127","","","1.133","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312990","8.624","0.001","10.1739","0.0012","18.951","0.002","94.644","0.002","99.792","0.002","91.997","0.002","1631.2","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H32 N4 Ni O4 -","- C38 H32 N4 Ni O4 -","- C76 H64 N8 Ni2 O8 -","2","2","","Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin","Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases","Inorganic Chemistry","2003","42","","566","574","10.1021/ic025996o","","","0.71073","MoKα","","0.0435","0.0339","","","0.0658","0.0691","","","","","","0.955","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4313038","9.9537","0.0008","10.9729","0.0008","11.8826","0.0009","67.31","0.001","75.226","0.002","68.549","0.001","1104.59","0.15","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(7,16-diacetyl-1,2,3,4,4a,9a,10,11,12,13,13a,18a-dodecahydro- 5,9,14,18-tetraazadibenzo[a,h]cyclotetrdecenato) nickel(II)","","- C24 H34 N4 Ni O2 -","- C24 H34 N4 Ni O2 -","- C48 H68 N8 Ni2 O4 -","2","2","","Guodong Du; Arkady Ellern; L. Keith Woo","Synthesis and Characterization of Chiral Tetraaza Macrocyclic Nickel(II) and Palladium(II) Complexes","Inorganic Chemistry","2003","42","","873","877","10.1021/ic025818v","","","0.71073","MoKα","","0.0436","0.0382","","","0.0913","0.0934","","","","","","1.07","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313162","9.048","0.003","9.051","0.003","11.395","0.003","97.873","0.005","102.687","0.005","116.755","0.004","782.6","0.4","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C27 H23 F6 N O6 P2 Pd S2 -","- C27 H23 F6 N O6 P2 Pd S2 -","- C27 H23 F6 N O6 P2 Pd S2 -","1","1","","U. Anandhi; Todd Holbert; Dennis Lueng; Paul R. Sharp","Platinum and Palladium Imido and Oxo Complexes with Small Natural Bite Angle Diphosphine Ligands","Inorganic Chemistry","2003","42","","1282","1295","10.1021/ic025987f","","","0.7107","MoKα","","0.0507","0.0492","","","0.1583","0.1634","","","","","","1.12","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313289","11.076","0.0004","11.388","0.0004","12.713","0.0007","105.19","0.002","96.51","0.002","113.19","0.002","1379.44","0.11","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C58 H56 Cl2 F3 Fe N6 O7 S -","- C58 H58 Cl2 F3 Fe N6 O7 S1.2 -","- C58 H58 Cl2 F3 Fe N6 O7 S1.2 -","1","1","","Gérard Simonneaux; Marwan Kobeissi; Loîc Toupet","Electronic Structure of Iron Chlorins: Characterization of Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(III)triflate and Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(II)","Inorganic Chemistry","2003","42","","1644","1651","10.1021/ic026039h","","","0.71069","MoKα","","0.0719","0.0534","","","0.1346","0.1487","","","","","","1.035","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313495","7.8182","0.0002","8.2681","0.0003","10.3971","0.0002","102.723","0.002","93.55","0.002","90.317","0.002","654.2","0.03","123","2","123","2","","","","","","","","4","P 1","P 1","1","","tri(methylpyrazine)di(tricyanomethanide)disilver(I)","","- C23 H18 Ag2 N12 -","- C23 H18 Ag2 N12 -","- C23 H18 Ag2 N12 -","1","1","","Brendan F. Abrahams; Stuart R. Batten; Bernard F. Hoskins; Richard Robson","AgC(CN)3- Based Coordination Polymers","Inorganic Chemistry","2003","42","","2654","2664","10.1021/ic026189s","","","0.71073","MoKα","","0.0395","0.0316","","","0.0888","0.1015","","","","","","1.153","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313551","9.045","","9.658","","9.949","","66.175","0.001","68.222","0.002","69.592","0.002","717.795","0.011","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H28 Ag2 Cl2 N4 O8 -","- C26 H28 Ag2 Cl2 N4 O8 -","- C26 H28 Ag2 Cl2 N4 O8 -","1","1","","Dong Mok Shin; In Su Lee; Young-A Lee; Young Keun Chung","Self-Assembly between Silver(I) and Di- and Tri-2-pyridines with Flexible Spacer: Formation of Discrete Metallocycle versus Coordination Polymer","Inorganic Chemistry","2003","42","","2977","2982","10.1021/ic0260163","","","0.71073","MoKα","","0.0361","0.034","","0.1119","0.1038","","","","1.206","1.147","1.147","","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4314217","9.58","0.0019","10.25","0.002","11.57","0.002","68.34","0.03","71.42","0.03","66.57","0.03","949","0.4","160","2","160","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H38 Cl6 N2 O2 Ru S2 -","- C36 H38 Cl6 N2 O2 Ru S2 -","- C36 H38 Cl6 N2 O2 Ru S2 -","1","1","","Chui-Ying Lai; Wing-Leung Mak; Eddie Y. Y. Chan; Yiu-Keung Sau; Qian-Feng Zhang; Samuel M. F. Lo; Ian D. Williams; Wa-Hung Leung","Ruthenium Complexes with Chiral Tetradentate Imino-Sulfoxide Ligands","Inorganic Chemistry","2003","42","","5863","5870","10.1021/ic030075e","","","0.71073","MoKα","","0.0762","0.0516","","","0.0988","0.106","","","","","","0.964","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314665","8.6202","0.0003","10.7327","0.0004","16.3388","0.0006","96.552","0.002","99.248","0.002","106.096","0.002","1413.29","0.09","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H30 Cl2 O2 P2 Pd -","- C30 H30 Cl2 O2 P2 Pd -","- C60 H60 Cl4 O4 P4 Pd2 -","2","2","","Mingjun Yuan; Na Zhang; Sumod A. Pullarkat; Yongxin Li; Fengli Liu; Phuong-Tu Pham; Pak-Hing Leung","Asymmetric Synthesis of Functionalized 1,3-Diphosphines via Chiral Palladium Complex Promoted Hydrophosphination of Activated Olefins","Inorganic Chemistry","2010","49","","989","996","10.1021/ic9018053","","","0.71073","MoKα","","0.059","0.0467","","","0.1372","0.1534","","","","","","1.148","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314666","8.5973","0.001","10.8849","0.0012","16.26","0.002","97.704","0.005","99.824","0.005","107.217","0.005","1404.3","0.3","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H30 Cl2 O P2 Pd -","- C30 H30 Cl2 O P2 Pd -","- C60 H60 Cl4 O2 P4 Pd2 -","2","2","","Mingjun Yuan; Na Zhang; Sumod A. Pullarkat; Yongxin Li; Fengli Liu; Phuong-Tu Pham; Pak-Hing Leung","Asymmetric Synthesis of Functionalized 1,3-Diphosphines via Chiral Palladium Complex Promoted Hydrophosphination of Activated Olefins","Inorganic Chemistry","2010","49","","989","996","10.1021/ic9018053","","","0.71073","MoKα","","0.0363","0.0302","","","0.0791","0.0916","","","","","","1.101","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4315294","11.1153","0.0018","11.6215","0.0019","13.624","0.002","89.856","0.002","75.837","0.002","69.397","0.002","1590.5","0.4","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C60 H74 K2 N8 Nb O15 -","- C60 H74 K2 N8 Nb O15 -","- C60 H74 K2 N8 Nb O15 -","1","1","","Edwin W. Y. Wong; Charles J. Walsby; Tim Storr; Daniel B. Leznoff","Phthalocyanine as a Chemically Inert, Redox-Active Ligand: Structural and Electronic Properties of a Nb(IV)-Oxo Complex Incorporating a Highly Reduced Phthalocyanine(4-) Anion","Inorganic Chemistry","2010","49","","3343","3350","10.1021/ic902409n","","","0.71073","MoKα","","0.0513","0.0501","","0.0683","0.0568","0.0567","","","","","","1.0318","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4315433","9.293","0.01","10.103","0.011","22.35","0.02","82.456","0.013","83.912","0.013","65.483","0.012","1890","3","173","2","173","2","","","","","","","","4","P 1","P 1","1","pentakis(diethylamido) Niobium","pentakis(diethylamido) Niobium","","- C20 H50 N5 Nb -","- C20 H50 N5 Nb -","- C60 H150 N15 Nb3 -","3","3","","Shu-Jian Chen; Jian Zhang; Xianghua Yu; Xianhui Bu; Xue-Tai Chen; Zi-Ling Xue","Formation of Aminoxy and Oxo Complexes from the Reaction of Nb(NMe2)5 with O2 and the Crystal Structure of Nb(NEt2)5","Inorganic Chemistry","2010","49","","4017","4022","10.1021/ic901889m","","","0.71073","MoKα","","0.0995","0.0774","","","0.1973","0.2327","","","","","","1.093","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315441","8.8508","0.0018","10.575","0.002","11.461","0.002","81.11","0.03","81.85","0.03","75.56","0.03","1020.4","0.4","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C28 H61 B21 N4 -","- C28 H61 B21 N4 -","- C28 H61 B21 N4 -","1","1","","Michael G. S. Londesborough; Jonathan Bould; Tomáš Baše; Drahomír Hnyk; Mario Bakardjiev; Josef Holub; Ivana Císařová; John D. Kennedy","An Experimental Solution to the ""Missing Hydrogens"" Question Surrounding the Macropolyhedral 19-Vertex Boron Hydride Monoanion [B19H22]-, a Simplification of Its Synthesis, and Its Use As an Intermediate in the First Example of syn-B18H22 to anti-B18H22 Isomer Conversion","Inorganic Chemistry","2010","49","","4092","4098","10.1021/ic901976y","","","0.71073","MoKα","","0.0824","0.0601","","","0.1494","0.1667","","","","","","1.05","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4316552","13.4825","0.0007","15.6703","0.001","19.4822","0.0011","86.7592","0.0017","72.4103","0.0014","67.9133","0.0015","3628.1","0.4","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C58 H64 N2 Ni2 O12 S20 -","- C58 H64 N2 Ni2 O12 S20 -","- C116 H128 N4 Ni4 O24 S40 -","2","2","","Qiong Ye; Tomoyuki Akutagawa; Toru Endo; Shin-ichiro Noro; Takayoshi Nakamura; Ren-Gen Xiong","Asymmetrical [Ni(dmit)2]- Arrangements Induced by (1R,2R)-Cyclohexanediammonium - Crown Ether Supramolecules","Inorganic Chemistry","2010","49","","8591","8600","10.1021/ic101253g","","","0.71075","MoKα","","","0.0909","","","","0.2948","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316553","13.6381","0.0003","13.9684","0.0003","38.4431","0.0007","82.3647","0.0007","82.1529","0.0009","63.9837","0.0008","6497.8","0.2","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C43 H64 N2.5 Ni2 O12 S20 -","- C43 H64 N2.5 Ni2 O12 S20 -","- C172 H256 N10 Ni8 O48 S80 -","4","4","","Qiong Ye; Tomoyuki Akutagawa; Toru Endo; Shin-ichiro Noro; Takayoshi Nakamura; Ren-Gen Xiong","Asymmetrical [Ni(dmit)2]- Arrangements Induced by (1R,2R)-Cyclohexanediammonium - Crown Ether Supramolecules","Inorganic Chemistry","2010","49","","8591","8600","10.1021/ic101253g","","","0.71075","MoKα","","","0.0408","","","","0.1273","","","","","","0.884","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316554","13.8573","0.0008","14.2894","0.0007","22.551","0.0011","102.252","0.0014","92.9166","0.0017","114.742","0.0018","3913.7","0.4","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C58 H88 N2 Ni2 O12 S20 -","- C58 H88 N2 Ni2 O12 S20 -","- C116 H176 N4 Ni4 O24 S40 -","2","2","","Qiong Ye; Tomoyuki Akutagawa; Toru Endo; Shin-ichiro Noro; Takayoshi Nakamura; Ren-Gen Xiong","Asymmetrical [Ni(dmit)2]- Arrangements Induced by (1R,2R)-Cyclohexanediammonium - Crown Ether Supramolecules","Inorganic Chemistry","2010","49","","8591","8600","10.1021/ic101253g","","","0.71075","MoKα","","","0.0512","","","","0.1882","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316555","11.8981","0.0005","12.7022","0.0007","23.688","0.001","97.926","0.002","91.603","0.001","95.911","0.002","3523.7","0.3","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C52 H67 N3 Ni2 O12 S20 -","- C52 H67 N3 Ni2 O12 S20 -","- C104 H134 N6 Ni4 O24 S40 -","2","2","","Qiong Ye; Tomoyuki Akutagawa; Toru Endo; Shin-ichiro Noro; Takayoshi Nakamura; Ren-Gen Xiong","Asymmetrical [Ni(dmit)2]- Arrangements Induced by (1R,2R)-Cyclohexanediammonium - Crown Ether Supramolecules","Inorganic Chemistry","2010","49","","8591","8600","10.1021/ic101253g","","","0.71075","MoKα","","","0.0732","","","","0.2418","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316607","11.407","0.0006","12.7561","0.0007","13.1823","0.0007","68.789","0.001","70.06","0.001","89.688","0.001","1665.7","0.16","159","2","159","2","","","","","","","","6","P 1","P 1","1","[PY5Me2Cu(NCCH3)](PF6)2","","","- C31 H28 Cu F12 N6 P2 -","- C31 H25 Cu F12 N6 P2 -","- C62 H50 Cu2 F24 N12 P4 -","2","2","","Joseph M. Zadrozny; Danna E. Freedman; David M. Jenkins; T. David Harris; Anthony T. Iavarone; Corine Mathonière; Rodolphe Clérac; Jeffrey R. Long","Slow Magnetic Relaxation and Charge-Transfer in Cyano-Bridged Coordination Clusters Incorporating [Re(CN)7]3-/4-","Inorganic Chemistry","2010","49","","8886","8896","10.1021/ic101132z","","","0.71073","MoKα","","0.0411","0.0353","","","0.0804","0.0816","","","","","","0.948","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4316840","5.7529","0.0017","7.33","0.002","8.119","0.003","105.491","0.004","94.387","0.01","112.421","0.009","298.81","0.17","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Ba I4 O12 Pd -","- Ba I4 O12 Pd -","- Ba I4 O12 Pd -","1","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Jiang-Gao Mao","Polar or Non-Polar? Syntheses, Crystal Structures, and Optical Properties of Three New Palladium(II) Iodates","Inorganic Chemistry","2010","49","","9581","9589","10.1021/ic101370v","","","0.71073","MoKα","","0.0366","0.0359","","","0.0966","0.0972","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317618","10.561","0.003","11.823","0.004","12.284","0.005","111.5","0.04","91.1","0.03","115.76","0.03","1255.8","1","150","","150","","","","","","","","","6","P 1","P 1","1","","[1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl) -1,4,7,10-tetraazacyclododecanecadmium(II) (p-aminobenzoate)] ClO4","","- C51 H66 Cd Cl N5 O14 -","- C51 H66 Cd Cl N5 O14 -","- C51 H66 Cd Cl N5 O14 -","1","1","","Christopher B. Smith; Ashley K. W. Stephens; Kia S. Wallwork; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright","Metal Ion-Dependent Molecular Inclusion Chemistry: Inclusion of Aromatic Anions by Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane","Inorganic Chemistry","2002","41","","1093","1100","10.1021/ic010694s","","","0.71073","MoKα","","0.024","0.024","","0.074","","0.074","","","1.46","","","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317619","10.809","0.001","12.08","0.001","12.564","0.001","64.77","0.01","87.04","0.01","64.2","0.01","1317.9","0.3","200","","200","","","","","","","","","6","P 1","P 1","1","","[1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl) -1,4,7,10-tetraazacyclododecanecadmium(II) ((L)-phenylalanate)] ClO4","","- C53 H70 Cd Cl N5 O14 -","- C53 H66 Cd Cl N5 O14 -","- C53 H66 Cd Cl N5 O14 -","1","1","","Christopher B. Smith; Ashley K. W. Stephens; Kia S. Wallwork; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright","Metal Ion-Dependent Molecular Inclusion Chemistry: Inclusion of Aromatic Anions by Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane","Inorganic Chemistry","2002","41","","1093","1100","10.1021/ic010694s","","","0.71073","MoKα","","0.028","0.028","","0.073","","0.073","","","1.268","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317661","9.61","0.0005","11.869","0.0004","12.58","0.0007","80.982","0.003","76.264","0.003","88.22","0.003","1376.59","0.12","175","","175","","","","","","","","H2N2NN' + Zr(NMe2)4","5","P 1","P 1","1","","[Zr(N2NN')(NMe2)2]","","- C20 H44 N6 Si2 Zr -","- C20 H44 N6 Si2 Zr -","- C40 H88 N12 Si4 Zr2 -","2","2","","Michael E. G. Skinner; Yahong Li; Philip Mountford","New Diamide-Diamine Ligands and their Zirconium and Hafnium Dichloride and Bis(dimethylamide) Complexes","Inorganic Chemistry","2002","41","","1110","1119","10.1021/ic011043z","","","0.71069","MoKα","","","0.0327","","","0.0356","","","","","1.035","1.035","","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4317783","12.487","0.002","12.695","0.004","27.242","0.004","92.057","0.018","95.188","0.014","98.234","0.017","4251.2","1.6","293","","296.2","","","","","","","","","6","P 1","P 1","1","","","","- C84 H84 Ag2 As4 F12 P6 -","- C84 H84 Ag2 As4 F12 P6 -","- C168 H168 Ag4 As8 F24 P12 -","2","2","","Vernon C. Cook; Anthony C. Willis; Johann Zank; S. Bruce Wild","Synthesis and Resolution of (R*,R*)-(\±)-1,1,4,7,10,10-Hexaphenyl-1,10-diarsa-4,7-diphosphadecane: New Ligand for the Stereoselective Self-Assembly of Dicopper(I), Disilver(I), and Digold(I) Helicates","Inorganic Chemistry","2002","41","","1897","1906","10.1021/ic010988d","","","1.5418","CuKα","","0.085","0.062","","0.087","","0.08","","","1.556","","","1.704","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317926","10.369","0.008","11.459","0.006","13.787","0.005","91.08","0.04","89.92","0.05","106.98","0.05","1566.4","1.6","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C30 H23 Cl3 N2 O P Re S -","- C30 Cl3 N2 O P Re S -","- C60 Cl6 N4 O2 P2 Re2 S2 -","2","2","","Jaydip Gangopadhyay; Suman Sengupta; Sibaprasad Bhattacharyya; Indranil Chakraborty; Animesh Chakravorty","Pyridylazole Chelation of Oxorhenium(V) and Imidorhenium(V). Rates and Trends of Oxygen Atom Transfer from ReVO to Tertiary Phosphines","Inorganic Chemistry","2002","41","","2616","2622","10.1021/ic011064t","","","0.71073","MoKα","","0.1258","0.107","","0.3036","0.2526","","","","2.67","2.447","2.447","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4317950","12.8594","0.0011","13.3491","0.0012","22.2503","0.0019","92.471","0.002","97.309","0.002","108.181","0.002","3585.4","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- Fe3 Na7.5 O81 P2 W15 -","- Fe3 Na7.5 O81 P2 W15 -","- Fe6 Na15 O162 P4 W30 -","2","2","","Travis M. Anderson; Xuan Zhang; Kenneth I. Hardcastle; Craig L. Hill","Reactions of Trivacant Wells-Dawson Heteropolytungstates. Ionic Strength and Jahn-Teller Effects on Formation in Multi-Iron Complexes","Inorganic Chemistry","2002","41","","2477","2488","10.1021/ic0112443","","","0.71073","MoKα","","0.0693","0.0483","","","0.0789","0.0825","","","","","","0.927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317953","6.1757","0.001","9.5349","0.0015","11.118","0.0017","74.894","0.003","81.359","0.002","85.962","0.003","624.55","0.17","168","2","168","2","","","","","","","","4","P 1","P 1","1","[Sn(ONep)2]infinite","","","- C20 H44 O4 Sn2 -","- C20 H44 O4 Sn2 -","- C20 H44 O4 Sn2 -","1","1","","Timothy J. Boyle; Todd M. Alam; Mark A. Rodriguez; Cecilia A. Zechmann","Hydrolysis of Tin(II) Neo-pentoxide: Syntheses, Characterization, and X-ray Structures of [Sn(ONep)2]\ιnfty, Sn5(μ3-O)2(μ-ONep)6, and Sn6(μ3-O)4(μ-ONep)4 Where ONep = OCH2CMe3","Inorganic Chemistry","2002","41","","2574","2582","10.1021/ic011247f","","","0.71073","MoKα","","0.0321","0.0306","","","0.0776","0.0793","","","","","","1.073","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4318227","11.087","0.002","11.502","0.002","13.424","0.003","82.617","0.003","70.159","0.003","66.268","0.003","1474","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","[Pt(S2cyclophane)(cod)][SO3CF3]2","","","- C26 H28 F6 O6 Pt S4 -","- C26 H28 F6 O6 Pt S4 -","- C52 H56 F12 O12 Pt2 S8 -","2","2","","Jorge Tiburcio; William D. Jones; Stephen J. Loeb; Hugo Torrens","Conformational Behavior and Coordination Chemistry of 2,11-Dithia[3.3]orthocyclophane with Platinum Group Metals","Inorganic Chemistry","2002","41","","3779","3785","10.1021/ic0256157","","","0.71073","MoKα","","0.0277","0.0268","","","0.0713","0.0724","","","","","","1.027","","","","has coordinates,has disorder","179262","2020-10-21","18:00:00",""
"4318315","10.4128","0.0015","11.6445","0.0016","13.9051","0.0018","106.694","0.004","100.095","0.003","91.505","0.003","1584.7","0.4","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C52 H80 Cl F6 N6 O15 P Zn3 -","- C52 H80 Cl F6 N6 O15 P Zn3 -","- C52 H80 Cl F6 N6 O15 P Zn3 -","1","1","","Srinivas R. Korupoju; Nagarathinam Mangayarkarasi; Panthapally S. Zacharias; Jun Mizuthani; Hiroshi Nishihara","Synthesis, Structure, and DNA Cleavage Activity of New Trinuclear Zn3 and Zn2Cu Complexes of a Chiral Macrocycle: Structural Correlation with the Active Center of P1 Nuclease","Inorganic Chemistry","2002","41","","4099","4101","10.1021/ic0201102","","","0.71073","MoKα","","0.3195","0.1397","","","0.2822","0.3578","","","","","","0.907","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4318337","13.707","0.004","14.891","0.003","12.03","0.001","101.65","0.02","115.08","0.02","97.66","0.01","2110.8","0.9","288.2","","288.2","","","","","","","","","7","P 1","P 1","1","","","","- C84 H104 Cu2 F12 N4 O4 P2 -","- C84 H104 Cu2 F12 N4 O4 P2 -","- C84 H104 Cu2 F12 N4 O4 P2 -","1","1","","Tomikazu Kawano; Jun Kuwana; Chong-Xu Du; Ikuo Ueda","Copper(I) Ion Mediated Self-Organization of Molecular Rectangular Boxes from 1,2-Bis(2-pyridylethynyl)benzene Ligands with Bulky Substituents","Inorganic Chemistry","2002","41","","4078","4080","10.1021/ic025574e","","","0.7107","MoKα","","","0.0541","","","0.0921","0.0921","","","","","","1.25","","","","has coordinates","179263","2020-10-21","18:00:00",""
"4318338","13.539","0.004","14.755","0.002","11.951","0.002","101.7","0.01","115.11","0.01","97.44","0.02","2053.4","0.8","198.2","","198.2","","","","","","","","","7","P 1","P 1","1","","","","- C84 H104 Cu2 F12 N4 O4 P2 -","- C84 H104 Cu2 F12 N4 O4 P2 -","- C84 H104 Cu2 F12 N4 O4 P2 -","1","1","","Tomikazu Kawano; Jun Kuwana; Chong-Xu Du; Ikuo Ueda","Copper(I) Ion Mediated Self-Organization of Molecular Rectangular Boxes from 1,2-Bis(2-pyridylethynyl)benzene Ligands with Bulky Substituents","Inorganic Chemistry","2002","41","","4078","4080","10.1021/ic025574e","","","0.7107","MoKα","","","0.0521","","","0.0534","0.0534","","","","","","0.668","","","","has coordinates","179263","2020-10-21","18:00:00",""
"4318415","6.01","0.001","6.668","0.001","8.498","0.001","74.64","0.01","74.25","0.01","80.91","0.01","314.7","0.08","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C4 H12 Cd2 O14 -","- C4 H12 Cd2 O14 -","- C4 H12 Cd2 O14 -","1","1","","Pierluigi Orioli; Bruno Bruni; Massimo Di Vaira; Luigi Messori; Francesca Piccioli","Decomposition of Ascorbic Acid in the Presence of Cadmium Ions Leads to Formation of a Polymeric Cadmium Oxalate Species with Peculiar Structural Features","Inorganic Chemistry","2002","41","","4312","4314","10.1021/ic025598l","","","0.71069","MoKα","","0.024","0.024","","0.0605","0.0605","","","","1.154","1.154","1.154","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4318431","6.699","0.001","7.092","0.001","19.579","0.003","81.46","0.009","88.397","0.006","80.859","0.004","908.2","0.2","113.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C22 H12 Br4 Fe O2 S16 -","- C22 H12 Br4 Fe O2 S16 -","- C22 H12 Br4 Fe O2 S16 -","1","1","","Takuya Matsumoto; Tsuyoshi Kominami; Kazumasa Ueda; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Harukazu Yoshino; Keizo Murata; Motoo Shiro; Ei-ichi Negishi; Naoki Toyota; Satoshi Endo; Kazuko Takahashi","Metallic Conductivity and Ferromagnetic Interaction of Iron(III) d Spins in the Needle Crystals of (Ethylenedithiotetrathiafulvalenoquinone-1,3-dithiolemethide)2.FeBr4 Salt","Inorganic Chemistry","2002","41","","4763","4769","10.1021/ic020143h","","","0.7107","MoKα","","","0.0988","","","","0.2175","","","","","","1.685","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318432","6.712","0.003","7.081","0.004","19.442","0.008","80.792","0.007","88.48","0.01","80.84","0.01","900.5","0.7","113.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C22 H12 Br4 Ga O2 S16 -","- C22 H12 Br4 Ga O2 S16 -","- C22 H12 Br4 Ga O2 S16 -","1","1","","Takuya Matsumoto; Tsuyoshi Kominami; Kazumasa Ueda; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Harukazu Yoshino; Keizo Murata; Motoo Shiro; Ei-ichi Negishi; Naoki Toyota; Satoshi Endo; Kazuko Takahashi","Metallic Conductivity and Ferromagnetic Interaction of Iron(III) d Spins in the Needle Crystals of (Ethylenedithiotetrathiafulvalenoquinone-1,3-dithiolemethide)2.FeBr4 Salt","Inorganic Chemistry","2002","41","","4763","4769","10.1021/ic020143h","","","0.7107","MoKα","","","0.0921","","","","0.182","","","","","","1.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318495","9.0917","0.0008","12.6682","0.0012","14.9606","0.0014","99.107","0.011","93.897","0.011","109.239","0.011","1593","0.3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C48 H88 Fe2 N24 Ni3 O2 -","- C48 H84 Fe2 N24 Ni3 O2 -","- C48 H84 Fe2 N24 Ni3 O2 -","1","1","","Eugenio Coronado; Carlos J. Gómez-García; Alicia Nuez; Francisco M. Romero; Eduard Rusanov; Helen Stoeckli-Evans","Ferromagnetism and Chirality in Two-Dimensional Cyanide-Bridged Bimetallic Compounds","Inorganic Chemistry","2002","41","","4615","4617","10.1021/ic0257219","","","0.71073","MoKα","","0.0779","0.0329","","","0.0517","0.0583","","","","","","0.709","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4318496","9.0858","0.001","12.6638","0.0015","14.9822","0.0016","98.9","0.01","93.95","0.01","109.45","0.01","1592.4","0.3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C48 H88 Fe2 N24 Ni3 O2 -","- C48 H84 Fe2 N24 Ni3 O2 -","- C48 H84 Fe2 N24 Ni3 O2 -","1","1","","Eugenio Coronado; Carlos J. Gómez-García; Alicia Nuez; Francisco M. Romero; Eduard Rusanov; Helen Stoeckli-Evans","Ferromagnetism and Chirality in Two-Dimensional Cyanide-Bridged Bimetallic Compounds","Inorganic Chemistry","2002","41","","4615","4617","10.1021/ic0257219","","","0.71073","MoKα","","0.109","0.0604","","","0.1377","0.1507","","","","","","0.865","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4318557","7.9009","0.00002","9.3964","0.0002","15.9253","0.0002","77.992","0.001","77.342","0.001","82.234","0.001","1123.34","0.03","294","2","294","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H50 Cl2 N6 O8 Pd -","- C44 H50 Cl2 N6 O8 Pd -","- C44 H50 Cl2 N6 O8 Pd -","1","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt; Kenneth W. Muir","Self-Assembly of Polymer and Sheet Structures in Palladium(II) Complexes Containing Carboxylic Acid Substituents","Inorganic Chemistry","2002","41","","5174","5186","10.1021/ic020239b","","","0.71073","MoKα","","0.0418","0.0304","","0.1078","0.0835","","","","1.083","0.867","0.867","","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318946","10.416","0.003","12.683","0.004","14.364","0.004","69.148","0.006","87.452","0.007","71.598","0.005","1677.7","0.9","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H48 Al Cl N2 O2 -","- C34 H48 Al Cl N2 O2 -","- C68 H96 Al2 Cl2 N4 O4 -","2","2","","Yu, Ru-Ching; Hung, Chen-Hsiung; Huang, Jui-Hsien; Lee, Horng-Yi; Chen, Jwu-Ting","Four- and Five-Coordinate Aluminum Ketiminate Complexes: Synthesis, Characterization, and Ring-Opening Polymerization","Inorganic Chemistry","2002","41","24","6450","6455","10.1021/ic025785j","","","0.71073","MoKα","","0.1654","0.0338","","","0.0565","0.0752","","","","","","0.511","","","","has coordinates","210304","2020-10-21","18:00:00",""
"4319792","9.6981","0.0008","10.1729","0.0009","11.1223","0.001","66.556","0.002","81.654","0.002","74.412","0.002","968.78","0.15","96","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H22 N6 O17 V6 Zn2 -","- C30 H22 N6 O17 V6 Zn2 -","- C30 H22 N6 O17 V6 Zn2 -","1","1","","Pamela J. Hagrman; Jon Zubieta","Hydrothermal Syntheses and Structural Characterizations of Organic-Inorganic Hybrid Materials of the M(II)-Ligand/Vanadium Oxide System (M(II) = Cu(II) and Zn(II); Ligand = 2,2'-Bipyridine and 2,2':6',2''-Terpyridine)","Inorganic Chemistry","2001","40","","2800","2809","10.1021/ic010024m","","","0.71073","MoKα","","0.0374","0.0313","","","0.0731","0.0754","","","","","","0.995","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319955","9.9735","0.0012","10.191","0.003","10.538","0.002","65.323","0.011","63.493","0.012","89.44","0.02","850.2","0.4","213","2","293","2","","","","","","","synthesis","6","P 1","P 1","1","","Mangnese dibromide bis(triphenyl phosphine oxide)","","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","1","1","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0382","0.0372","","0.0991","0.0971","","","","1.044","1.033","1.033","","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320037","14.157","0.0004","14.186","0.0006","16.127","0.0008","75.202","0.003","77.913","0.002","63.979","0.002","2796.2","0.2","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C122 H104 F6 Fe2 N8 O6 P4 S2 -","- C128.8 H104 F6 Fe2 N8 O5 P4 S2 -","- C128.8 H104 F6 Fe2 N8 O5 P4 S2 -","1","1","","Marwan Kobeissi; Loîc Toupet; Gérard Simonneaux","Electronic Structure of Low-Spin Ferric Chlorins: Characterization of Bis(dimethylphenylphosphine)(meso-tetraphenylchlorinato)iron(III) Triflate","Inorganic Chemistry","2001","40","","4494","4499","10.1021/ic0013328","","","0.71069","MoKα","","0.1186","0.0709","","","0.1878","0.2267","","","","","","1.029","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4320162","14.8094","0.0008","17.3901","0.0007","21.1565","0.0011","110.75","0.003","90.206","0.002","112.754","0.003","4635.7","0.4","123","2","123","2","","","","","","","","7","P 1","P 1","1","[{Cu(tren)CN}6Fe][{Cu(tren)CN}4Fe(CN)2][Fe(CN)6]4.6DMSO.21H2O","","","- C108 H258 Cu10 Fe6 N76 O27 S6 -","- C108 H192 Cu10 Fe6 N76 O27 S6 -","- C108 H192 Cu10 Fe6 N76 O27 S6 -","1","1","","Richard J. Parker; Leone Spiccia; Stuart R. Batten; John D. Cashion; Gary D. Fallon","The Encapsulation of Ferrocyanide by Copper(II) Complexes of Tripodal Tetradentate Ligands. Novel H-Bonding Networks Incorporating Heptanuclear and Pentanuclear Heterometallic Assemblies","Inorganic Chemistry","2001","40","","4696","4704","10.1021/ic001452f","","","0.71073","MoKα","","0.1975","0.0902","","","0.1908","0.2512","","","","","","1.024","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320417","7.1664","0.0013","9.0998","0.0016","10.08","0.002","75.803","0.004","84.522","0.003","83.91","0.004","632","0.2","233","2","233","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 P S -","- C12 H17 P S -","- C24 H34 P2 S2 -","2","2","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.078","0.0486","","","0.0954","0.105","","","","","","1.045","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320592","7.9711","0.0002","8.3909","0.0002","9.5169","0.0003","99.1945","0.001","108.748","0.0011","110.617","0.0014","536.74","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H15 Cl2 O6 P -","- C22 H15 Cl2 O6 P -","- C22 H15 Cl2 O6 P -","1","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action","Inorganic Chemistry","2001","40","","6229","6238","10.1021/ic010600e","","","0.71073","MoKα","","0.0414","0.0401","","","0.1123","0.1143","","","","","","1.414","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320609","10.552","0.004","10.572","0.004","10.724","0.004","105.271","0.005","112.677","0.005","101.756","0.005","1000.3","0.7","168","2","168","2","","","","","","","","5","P 1","P 1","1","Li4(ONep)4(Py)3","Lithium Neo-pentoxide pyridine","","- C35 H59 Li4 N3 O4 -","- C35 H59 Li4 N3 O4 -","- C35 H59 Li4 N3 O4 -","1","1","","Timothy J. Boyle; Todd M. Alam; Kelly P. Peters; Mark A. Rodriguez","Structural Diversity of Lithium Neopentoxide Compounds","Inorganic Chemistry","2001","40","","6281","6286","10.1021/ic0106569","","","0.71073","MoKα","","0.0989","0.0672","","","0.1663","0.1879","","","","","","0.957","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320710","11.956","0.001","12.073","0.001","10.379","0.001","106.494","0.002","106.108","0.005","99.266","0.003","1332.5","0.2","158.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 Cl Cu N4 O4 -","- C26 H32 Cl Cu N4 O4 -","- C52 H64 Cl2 Cu2 N8 O8 -","2","2","","Osako, Takao; Tachi, Yoshimitsu; Taki, Masayasu; Fukuzumi, Shunichi; Itoh, Shinobu","Modulation of Coordination Chemistry in Copper(I) Complexes Supported by Bis[2-(2-pyridyl)ethyl]amine-Based Tridentate Ligands","Inorganic Chemistry","2001","40","26","6604","6609","10.1021/ic010625d","","","0.7107","MoKα","","","0.042","","","","0.064","","","","","","0.837","","","","has coordinates","210345","2020-10-21","18:00:00",""
"4321024","10.366","0.004","12.17","0.003","10.021","0.002","106.29","0.02","91","","68","","1119.6","0.6","299.2","","299.2","","","","","","","","","6","P 1","P 1","1","","","","- C46 H48 Cl4 N4 Ni2 O8 -","- C46 H48 Cl4 N4 Ni2 O8 -","- C46 H48 Cl4 N4 Ni2 O8 -","1","1","","Zengmin Li; Chet Jablonski","Synthesis, Characterization, and Structure of Macrocyclic Mono- and C2-Symmetric, Binuclear Nickel Calixsalen Complexes","Inorganic Chemistry","2000","39","","2456","2461","10.1021/ic990935k","","","0.7107","MoKα","","0.1092","0.052","","0.058","","0.053","","","1.74","","","1.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321123","10.5369","0.0005","16.6914","0.0008","10.2864","0.0005","107.614","0.001","92.059","0.001","90.409","0.001","1722.89","0.14","223","2","223","2","","","","","","","","4","P 1","P 1","1","","","","- P6 Rb4 Se18 Th2 -","- P6 Rb4 Se18 Th2 -","- P12 Rb8 Se36 Th4 -","2","2","","Paula M. Briggs Piccoli; Kent D. Abney; Jon R. Schoonover; Peter K. Dorhout","Synthesis and Structural Characterization of Quaternary Thorium Selenophosphates: A2ThP3Se9 (A = K, Rb) and Cs4Th2P5Se17","Inorganic Chemistry","2000","39","","2970","2976","10.1021/ic990767w","","","0.71073","MoKα","","0.0549","0.0476","","0.1238","0.1146","","","","1.012","1.018","1.018","","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321211","10.944","0.004","14.268","0.005","16.091","0.006","90.476","0.006","101.819","0.007","93.738","0.007","2453.5","1.5","158","2","158","2","","","","","","","","5","P 1","P 1","1","","","","- C74 H68 Cu7 N10 O30 -","- C74 H68 Cu7 N10 O30 -","- C74 H68 Cu7 N10 O30 -","1","1","","Jeffrey J. Bodwin; Vincent L. Pecoraro","Preparation of a Chiral, 2-Dimensional Network Containing Metallacrown and Copper Benzoate Building Blocks","Inorganic Chemistry","2000","39","","3434","3435","10.1021/ic000562j","","","0.71073","MoKα","","0.1131","0.0822","","","0.2251","0.2412","","","","","","1.045","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321308","13.1966","0.0002","13.89","0.0002","17.81","","79.215","0.001","76.486","0.001","89.173","0.001","3116.66","0.07","193","2","193","2","","","","","","","","6","P 1","P 1","1","","[Fe(TMCP)(OH2)(HOEt)](ClO4).[Fe(TMCP)(OH2)(HOEt)](H2O)(ClO4).(CHCl3)5","","- C52.5 H63.5 Cl8.5 Fe N4 O14.5 -","- C52.5 H57 Cl8.5 Fe N4 O14.5 -","- C105 H114 Cl17 Fe2 N8 O29 -","2","2","","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","","0.0619","0.0587","","","0.1611","0.1664","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321470","10.085","0.002","12.325","0.002","10.091","0.002","104.81","0.03","98.72","0.03","104.59","0.03","1141.8","0.5","298","1","293","2","","","","","","","","6","P 1","P 1","1","","[Cu~2~(rac-9)I~2~(CH~3~CN)~2~]^2+^2I^-^","","- C32 H62 Cu2 I4 N6 S4 -","- C32 H62 Cu2 I4 N6 S4 -","- C32 H62 Cu2 I4 N6 S4 -","1","1","","Stephen Fox; Robert T. Stibrany; Joseph A. Potenza; Spencer Knapp; Harvey J. Schugar","Copper(II) and Nickel(II) Complexes of Binucleating Macrocyclic Bis(disulfide)tetramine Ligands","Inorganic Chemistry","2000","39","","4950","4961","10.1021/ic000380p","","","0.71069","MoKα","","0.0822","0.0771","","","0.1947","0.2022","","","","","","1.101","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321471","10.119","0.003","12.288","0.004","10.121","0.003","104.68","0.02","98.39","0.02","104.75","0.02","1147.1","0.6","298","1","299","1","","","","","","","","6","P 1","P 1","1","","[Ni~2~(rac-9)I~2~(CH~3~CN)~2~]^2+^2I^-^","","- C32 H62 I4 N6 Ni2 S4 -","- C32 H62 I4 N6 Ni2 S4 -","- C32 H62 I4 N6 Ni2 S4 -","1","1","","Stephen Fox; Robert T. Stibrany; Joseph A. Potenza; Spencer Knapp; Harvey J. Schugar","Copper(II) and Nickel(II) Complexes of Binucleating Macrocyclic Bis(disulfide)tetramine Ligands","Inorganic Chemistry","2000","39","","4950","4961","10.1021/ic000380p","","","0.71069","MoKα","","0.0431","0.0324","","","0.0873","0.0941","","","","","","1.027","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321544","9.545","0.001","9.778","0.001","9.865","0.002","60.37","0.01","62.6","0.01","65.82","0.01","690.47","0.19","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H37 Co Fe N11 O4 -","- C18 H33 Co Fe N11 O4 -","- C18 H33 Co Fe N11 O4 -","1","1","","Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez","Discrete Dinuclear Cyano-Bridged Complexes","Inorganic Chemistry","2000","39","","5203","5208","10.1021/ic000379q","","","0.71073","MoKα","","0.1512","0.0686","","","0.1677","0.208","","","","","","1.037","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321700","11.34","0.003","13.134","0.004","13.3796","0.0025","102.37","0.02","107.688","0.017","114.408","0.02","1590.8","0.9","193","","193","","","","","","","","","8","P 1","P 1","1","","","","- C61 H58 Cl F12 N2 O P6 Re -","- C61 H58 Cl F24 N2 O P6 Re -","- C61 H58 Cl F24 N2 O P6 Re -","1","1","","Annette L. Suing; Charlotte R. Dewan; Peter S. White; H. Holden Thorp","Ethanol Oxidation by Imidorhenium(V) Complexes: Formation of Amidorhenium(III) Complexes","Inorganic Chemistry","2000","39","","6080","6085","10.1021/ic0007299","","","0.71073","MolybdenumKα","","0.039","0.039","","0.056","0.056","","","","","2.13","2.13","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321977","9.689","0.009","13.703","0.01","16.844","0.01","69.9","0.1","87.1","0.06","70.13","0.06","1970","3","213","2","213","2","","","","","","","synthesis","5","P 1","P 1","1","","","","- C100.82 H76 Cl1.65 Cr2 N8 -","- C100.83 H76 Cl1.66 Cr2 N8 -","- C100.83 H76 Cl1.66 Cr2 N8 -","1","1","","F. Albert Cotton; Carlos A. Murillo; Isabel Pascual","Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands","Inorganic Chemistry","1999","38","","2182","2187","10.1021/ic990007l","","","0.71073","MoKα","","0.1272","0.0965","","0.2595","0.2248","","","","1.064","1.067","1.067","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4322209","9.209","0.002","10.184","0.002","10.503","0.002","69.55","0.03","67.75","0.03","77.23","0.03","849.7","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","bis((m2-cyclooctane-1,5-diyl-borane-oxo)bis(tert-butyl)gallium)","","- C32 H64 B2 Ga2 O2 -","- C32 H64 B2 Ga2 O2 -","- C32 H64 B2 Ga2 O2 -","1","1","","Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski","Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In","Inorganic Chemistry","1999","38","","3796","3800","10.1021/ic981454o","","","1.54178","CuKα","","0.0612","0.0533","","0.1472","0.1375","","","","1.036","1.039","1.039","","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4322322","9.8484","0.0001","10.4148","0.0001","11.8007","0.0001","89.817","0.001","107.533","0.001","90.358","0.001","1154.13","0.02","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C48 H60 Al Li N8 -","- C48 H60 Al Li N8 -","- C48 H60 Al Li N8 -","1","1","","Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris","Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes","Inorganic Chemistry","1999","38","","4700","4704","10.1021/ic9905695","","","0.71073","MoKα","","0.1071","0.0773","","0.228","0.202","0.228","","","0.955","","","0.955","","","","has coordinates","179326","2020-10-21","18:00:00",""
"4322362","9.8736","0.0002","10.8633","0.0003","23.4208","0.0006","77.326","0.001","80.511","0.001","73.931","0.001","2340.57","0.1","142","2","142","2","","","","","","","synthesis","6","P 1","P 1","1","","(1,4,7,10‒tetrakis((S)‒2‒hydroxy‒3‒phenoxypropyl) ‒1,4,7,10‒tetraazacyclododecane) cadmium(II) diperchlorate","","- C44 H52 Cd Cl2 N4 O16 -","- C44 H52 Cd Cl2 N4 O16 -","- C88 H104 Cd2 Cl4 N8 O32 -","2","2","","Christopher B. Smith; Kia S. Wallwork; Jennifer M. Weeks; Mark A. Buntine; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright","Metal Ion Dependent Molecular Inclusion Chemistry: Inclusion of p-Toluenesulfonate and p-Nitrophenolate within the Structure of Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane","Inorganic Chemistry","1999","38","","4986","4992","10.1021/ic990739d","","","0.71073","xray_tube","","0.059","0.054","","0.149","0.143","","","","1.269","1.264","1.264","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4322363","10.64","0.0011","11.907","0.0012","12.174","0.0012","111.96","0.011","91.77","0.009","113.94","0.011","1276.7","0.3","150","2","150","2","","","","","","","","7","P 1","P 1","1","","(1,4,7,10‒tetrakis((S)‒2‒hydroxy‒3‒phenoxypropyl)‒1,4,7,10‒ tetraazacyclododecane)cadmium(II) perchlorate p‒toluenesulfonate","","- C51 H67 Cd Cl N4 O15 S -","- C51 H67 Cd Cl N4 O15 S -","- C51 H67 Cd Cl N4 O15 S -","1","1","","Christopher B. Smith; Kia S. Wallwork; Jennifer M. Weeks; Mark A. Buntine; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright","Metal Ion Dependent Molecular Inclusion Chemistry: Inclusion of p-Toluenesulfonate and p-Nitrophenolate within the Structure of Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane","Inorganic Chemistry","1999","38","","4986","4992","10.1021/ic990739d","","","0.71073","xray_tube","","0.029","0.029","","0.038","0.038","","","","1.698","1.696","1.696","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4322785","13.106","0.004","13.676","0.005","17.021","0.006","84.1","0.03","88.37","0.03","62.43","0.03","2689.4","1.8","200","2","293","2","","","","","","","","7","P 1","P 1","1","TpMePyrMeZn-ribosyl-phosphate","Hydrotris(5-methyl-3-3'-(4-methyl)-pyridyl-pyrazol-1-yl)borato -zink[(2,3-isopropyliden-5-methyl-ribosyl)-p-nitrophenyl)]-phosphate","","- C49 H58 B N12 O11 P Zn -","- C49 H58 B N12 O11 P Zn -","- C98 H116 B2 N24 O22 P2 Zn2 -","2","2","","Karl Weis; Michael Rombach; Heinrich Vahrenkamp","Attachment of Sugar Phosphates and Nucleotide Derivatives to Pyrazolylborate-Zinc Units","Inorganic Chemistry","1998","37","","2470","2475","10.1021/ic971403b","","","0.71073","MoKα","","0.1056","0.0493","","","0.1176","0.1443","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323113","12.5406","0.0003","13.8416","0.0003","16.6932","0.0004","88.737","0.001","76.001","0.001","71.135","0.001","2655.56","0.11","158","2","158","2","","","","","","","","6","P 1","P 1","1","","Cu(OAc)2[12-MC Cu(II)N(S-b-pheha) -4]/ CuCl[12-MC Cu(II)N(S-b-pheha) -4](Cu(OAc)3)","","- C85 H100 Cl Cu11 N16 O42 -","- C85 H101 Cl Cu11 N16 O42 -","- C85 H101 Cl Cu11 N16 O42 -","1","1","","Jason A. Halfen; Jeffrey J. Bodwin; Vincent L. Pecoraro","Preparation and Characterization of Chiral Copper 12-Metallacrown-4 Complexes, Inorganic Analogues of Tetraphenylporphyrinatocopper(II)","Inorganic Chemistry","1998","37","","5416","5417","10.1021/ic9807386","","","0.71073","MoKα","","0.0458","0.0376","","0.0905","0.0849","","","","1.041","1.031","1.031","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323223","8.115","0.001","11.556","0.001","14.032","0.001","87.877","0.006","88.084","0.005","84.762","0.006","1308.9","0.2","203.2","","203.2","","","","","","","","","7","P 1","P 1","1","","","","- C23 H24 Cu F3 N4 O7 S -","- C23.5 H24 Cu F4.5 N4 O8.5 S1.5 -","- C47 H48 Cu2 F9 N8 O17 S3 -","2","2","","Robert T. Jonas; T. D. P. Stack","Synthesis and Characterization of a Family of Systematically Varied Tris(2-pyridyl)methoxymethane Ligands: Copper(I) and Copper(II) Complexes","Inorganic Chemistry","1998","37","","6615","6629","10.1021/ic9713487","","","0.7109","MoKalpha","","","0.048","","","0.065","","","","","4.44","4.44","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323374","12.42","0.004","12.641","0.004","27.27","0.009","92.59","0.03","94.82","0.03","99.15","0.03","4205","2","293","","293","","","","","","","","","5","P 1","P 1","1","","[T-4-[(R-(R~*~,R~*~)]]-Λ-(‒)-bis(1,1,4,7,10,10-hexaphenyl-1,4,7,10- tetraphosphadecane)disilver(I) hexafluorophosphate","","- C84 H84 Ag2 F12 P10 -","- C84 H84 Ag2 F12 P10 -","- C168 H168 Ag4 F24 P20 -","2","2","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","0.71069","MoKα","","0.135","0.07","","0.109","0.066","","","","2.473","2.039","2.039","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323388","6.617","0.002","7.436","0.002","13.965","0.003","76.39","0.02","82.31","0.02","87.26","0.02","661.7","0.3","293","","293","","","","","","","","","7","P 1","P 1","1","","","","- C9 H15 Cl F12 N P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","1","1","","Athanassios I. Philippopoulos; Nick Hadjiliadis; Claire E. Hart; Bruno Donnadieu; Patrick C. Mc Gowan; René Poilblanc","Transition-Metal Derivatives of a Functionalized Cyclopentadienyl Ligand. 15.Synthesis and Structures of Amino Cyclopentadienyl Derivatives of Rhodium(I) and Rhodium(III) Including Water-Soluble Compounds","Inorganic Chemistry","1997","36","","1842","1849","10.1021/ic960395g","","","0.71073","MoKα","","","0.044","","","0.0484","","","","","3.6013","3.6013","","","","","has coordinates","209078","2020-10-21","18:00:00",""
"4323565","10.9657","0.0004","12.175","0.0005","12.9142","0.0005","62.163","0.001","67.776","0.001","84.187","0.001","1405.37","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] closo-pentagermanium(2-) tetrahydrofuran","","- C40 H80 Ge5 K2 N4 O13 -","- C40 H80 Ge5 K2 N4 O13 -","- C40 H80 Ge5 K2 N4 O13 -","1","1","","Janette Campbell; Gary J. Schrobilgen","The closo-Ge52- Anion: Synthesis, Crystal Structure, and Raman Spectrum of (2,2,2-crypt-K+)2Ge52-.THF","Inorganic Chemistry","1997","36","","4078","4081","10.1021/ic970191f","","","0.71073","MoKα","","0.0589","0.0432","","0.1187","0.1068","","","","1.017","1.036","1.036","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323865","8.911","0.002","10.686","0.002","10.979","0.003","101.12","0.02","106.82","0.02","91.29","0.02","978.5","0.4","293","2","293","2","","","","","","","reaction of [(n-Bu)4N]2ReeCl8 with PMe3 in propanol at room temperature","6","P 1","P 1","1","Pentachloro-tris(1,2,7-)-trimethylphosphino- dirhenium (II, III)-tetrabutylammonium chloride","Pentachloro-tris(1,2,7-)-trimethylphosphino- dirhenium (II, III)-tetrabutylammonium chloride","","- C25 H63 Cl6 N P3 Re2 -","- C25 H63 Cl6 N P3 Re2 -","- C25 H63 Cl6 N P3 Re2 -","1","1","","F. Albert Cotton; Evgeny V. Dikarev","Further Studies of the Isomeric 1,2,7- and 1,3,6-Re2Cl5(PMe3)3 Compounds","Inorganic Chemistry","1996","35","","4738","4742","10.1021/ic951473n","","","0.71073","MoKα","","0.0611","0.0566","","0.1441","0.1392","","","","1.125","1.12","1.12","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323893","12.994","0.007","13.634","0.004","12.801","0.007","101.49","0.04","114.98","0.04","105.42","0.04","1851.5","1.9","298","","298","","","","","","","","methylene chloride/pentane","8","P 1","P 1","1","","","","- C74 H72 Ag Cl6 N8 Ni O8 S2 -","- C74 H72 Ag Cl6 N8 Ni O8 S2 -","- C74 H72 Ag Cl6 N8 Ni O8 S2 -","1","1","","M. W. Renner; K. M. Barkigia; D. Melamed; K. M. Smith; J. Fajer","Ligand-Bridged Heterobimetallic Polymers: Silver(I)-Benzothiadiazole-Nickel Porphyrin Cation-Benzothiadiazole Arrays","Inorganic Chemistry","1996","35","","5120","5121","10.1021/ic960673b","","","1.54184","Cu-Kα","","0.134","0.103","","","0.113","","","","","3.017","3.017","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323926","11.72","0.001","12.067","0.001","12.773","0.001","71.794","0.003","75.765","0.004","72.789","0.003","1615.5","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C57 H86 N10 O17 Rh2 -","- C57 H86 N10 O17 Rh2 -","- C57 H86 N10 O17 Rh2 -","1","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0286","0.0261","","0.0665","0.065","","","","1.046","1.048","1.048","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4324196","6.9897","0.0005","9.8046","0.0006","11.3083","0.0007","71.833","0.001","84.732","0.001","76.728","0.001","716.5","0.08","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H34 B18 Co O S4 -","- C14 H34 B18 Co O S4 -","- C14 H34 B18 Co O S4 -","1","1","","Olga N. Kazheva; Grigorii G. Alexandrov; Andrey V. Kravchenko; Irina D. Kosenko; Irina A. Lobanova; Igor B. Sivaev; Oleg A. Filippov; Elena S. Shubina; Vladimir I. Bregadze; Vladimir A. Starodub; Lev V. Titov; Lev I. Buravov; Oleg A. Dyachenko","Molecular Conductors with a 8-Hydroxy cobalt Bis(dicarbollide) Anion","Inorganic Chemistry","2011","50","","444","450","10.1021/ic101168b","","","0.71073","MoKα","","0.0371","0.0312","","","0.0747","0.0784","","","","","","1.013","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324345","9.6928","0.0003","9.8747","0.0003","10.0125","0.0002","62.057","0.002","82.456","0.002","76.095","0.002","821.6","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- B4 Co2 N8 O34 P8 -","- B4 Co2 N8 O34 P8 -","- B4 Co2 N8 O34 P8 -","1","1","","Tan Su; Hongzhu Xing; Jin Xu; Jihong Yu; Ruren Xu","Ionothermal Syntheses and Characterizations of New Open-Framework Metal Borophosphates","Inorganic Chemistry","2011","50","","1073","1078","10.1021/ic101713y","","","0.71073","MoKα","","0.0562","0.0523","","","0.1354","0.1396","","","","","","1.059","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324890","4.9048","0.0004","5.2422","0.0003","12.2131","0.0008","79.356","0.005","89.844","0.006","79.42","0.006","303.21","0.04","295","1","295","1","","","","","","","","5","P 1","P 1","1","trans copper(II) valinate","trans bis(valinato)copper(II)","","- C10 H20 Cu N2 O4 -","- C10 H20 Cu N2 O4 -","- C10 H20 Cu N2 O4 -","1","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","","0.0181","0.0181","","","0.0513","0.0513","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324959","10.4392","0.0002","10.527","0.0002","23.9133","0.0003","90","","90","","90","","2627.92","0.08","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H46 Fe2 N4 O21 S12 -","- C38 H36 Fe2 N4 O21 S12 -","- C76 H72 Fe4 N8 O42 S24 -","2","2","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.0481","0.0394","","","0.0925","0.0968","","","","","","0.991","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4325008","9.7591","0.001","10.1277","0.001","15.0464","0.0015","94.212","0.001","102.301","0.001","94.304","0.001","1442.8","0.3","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C22 H32 B10 Cl2 N2 O2 -","- C22 H32 B10 Cl2 N2 O2 -","- C44 H64 B20 Cl4 N4 O4 -","2","2","","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","","0.0635","0.0601","","","0.1692","0.1736","","","","","","1.042","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325466","8.7967","0.0002","8.9245","0.0002","14.7428","0.0004","102.135","0.002","106.334","0.002","97.4319","0.0019","1063.73","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H52 Fe N4 O6 -","- C48 H52 Fe N4 O6 -","- C48 H52 Fe N4 O6 -","1","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","","0.0476","0.0425","","","0.1061","0.1078","","","","","","1.004","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325555","8.111","0.003","8.746","0.003","24.179","0.008","90.852","0.012","96.818","0.012","104.357","0.011","1648.2","1","91","2","91","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H66.5 B2 F8 N11.5 O20 Pd -","- C53 H66.5 B2 F8 N11.5 O20 Pd -","- C53 H66.5 B2 F8 N11.5 O20 Pd -","1","1","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0832","0.0686","","","0.1601","0.1692","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325750","11.868","0.0006","16.1506","0.0008","28.9425","0.0018","80.757","0.004","87.066","0.004","80.195","0.004","5393.9","0.5","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C162 H149 Fe4 In20 N29 O8 S38 -","- C103 H56 Fe4 In20 N24 S38 -","- C103 H56 Fe4 In20 N24 S38 -","1","1","","Xu Zhang; Wen Luo; Ya-Ping Zhang; Jian-Bing Jiang; Qin-Yu Zhu; Jie Dai","Indium-Sulfur Supertetrahedral Polymers Integrated with [M(phen)3]2+ Cations (M = Ni and Fe)","Inorganic Chemistry","2011","50","","6972","6978","10.1021/ic200157v","","","0.71075","MoKα","","0.0861","0.0694","","","0.1422","0.151","","","","","","0.917","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325858","12.8505","0.0005","13.2454","0.0006","19.6811","0.0008","103.768","0.0011","92.8707","0.001","97.5486","0.0011","3213.9","0.2","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H126.2 Er K1.3 N8.3 Na3.2 O117.1 P2 W22 -","- C20 Er K N4 Na2 O96 P2 W22 -","- C20 Er K N4 Na2 O96 P2 W22 -","1","1","","Haruo Naruke; Jun Iijima; Takanobu Sanji","Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11- Polyoxometalates","Inorganic Chemistry","2011","50","","7535","7539","10.1021/ic200401g","","","0.71075","MoKα","","","0.0583","","","","0.1681","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325859","12.8544","0.0003","13.2986","0.0003","19.7777","0.0005","103.66","0.0007","92.6904","0.0007","97.6256","0.0007","3245.46","0.13","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H124.2 K1.3 N8.3 Na3.2 O116.1 P2 Pr W22 -","- C20 K0.7 N4 Na0.5 O98.5 P2 Pr W22 -","- C20 K0.7 N4 Na0.5 O98.5 P2 Pr W22 -","1","1","","Haruo Naruke; Jun Iijima; Takanobu Sanji","Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11- Polyoxometalates","Inorganic Chemistry","2011","50","","7535","7539","10.1021/ic200401g","","","0.71075","MoKα","","","0.0509","","","","0.1529","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325860","12.8016","0.0004","13.2173","0.0005","19.7108","0.0007","103.714","0.0012","92.5694","0.0013","97.6599","0.0012","3201","0.2","203","","203","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 O111.6 P2 Pr W22 -","- C20 K N4 Na O98 P2 Pr W22 -","- C20 K N4 Na O98 P2 Pr W22 -","1","1","","Haruo Naruke; Jun Iijima; Takanobu Sanji","Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11- Polyoxometalates","Inorganic Chemistry","2011","50","","7535","7539","10.1021/ic200401g","","","0.71075","MoKα","","","0.043","","","","0.1425","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325865","11.5844","0.001","11.988","0.001","14.8922","0.0013","106.791","0.001","104.263","0.001","107.767","0.001","1754","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H64 Cu7 N43 O5 -","- C54 H64 Cu7 N43 O5 -","- C54 H64 Cu7 N43 O5 -","1","1","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.087","0.0627","","","0.1361","0.1514","","","","","","1.038","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325944","12.0454","0.0003","13.2444","0.0002","19.3366","0.0004","101.504","0.0012","103.09","0.0009","102.223","0.0011","2835.69","0.1","120","2","120","2","","","","","","","","5","P 1","P 1","1","Compound 2","","","- C120 H154 N8 O6 V2 -","- C119.849 H153.547 N8 O6 V2 -","- C119.849 H153.547 N8 O6 V2 -","1","1","","Lucy Clowes; Carl Redshaw; David L. Hughes","Vanadium-Based Pro-Catalysts Bearing Depleted 1,3-Calix[4]arenes for Ethylene or ε-Caprolactone Polymerization","Inorganic Chemistry","2011","50","","7838","7845","10.1021/ic2010198","","","0.71073","MoKα","","0.0778","0.0685","","","0.1468","0.1541","","","","","","1.136","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4326083","16.9201","0.0018","16.9808","0.0018","24.707","0.003","76.071","0.002","73.921","0.002","76.239","0.002","6508","1.3","253","2","253","2","","","","","","","","6","P 1","P 1","1","","","","- C211 H368 Cu16 N34 O S24 -","- C211 H320 Cu16 N34 O S24 -","- C211 H320 Cu16 N34 O S24 -","1","1","","Ping-Kuei Liao; Kuan-Guan Liu; Ching-Shiang Fang; C. W. Liu; John P. Fackler; Ying-Yann Wu","A Copper(I) Homocubane Collapses to a Tetracapped Tetrahedron Upon Hydride Insertion","Inorganic Chemistry","2011","50","","8410","8417","10.1021/ic2009896","","","0.71073","MoKα","","0.0613","0.047","","","0.1275","0.1408","","","","","","1.04","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326084","17.156","0.002","17.168","0.002","24.973","0.003","76.09","0.003","73.629","0.003","75.597","0.003","6719.6","1.4","253","2","253","2","","","","","","","","7","P 1","P 1","1","","","","- C210.5 H367 Ag16 Cl N34 O0.5 S24 -","- C210 H334 Ag16 Cl N34 O0.5 S24 -","- C210 H334 Ag16 Cl N34 O0.5 S24 -","1","1","","Ping-Kuei Liao; Kuan-Guan Liu; Ching-Shiang Fang; C. W. Liu; John P. Fackler; Ying-Yann Wu","A Copper(I) Homocubane Collapses to a Tetracapped Tetrahedron Upon Hydride Insertion","Inorganic Chemistry","2011","50","","8410","8417","10.1021/ic2009896","","","0.71073","MoKα","","0.0624","0.0555","","","0.1513","0.1581","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326140","10.1381","0.0009","10.9317","0.0009","23.438","0.002","78.951","0.001","80.774","0.001","89.706","0.001","2515.5","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 B O2 P -","- C28 H34 B O2 P -","- C112 H136 B4 O8 P4 -","4","4","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.0554","0.0416","","","0.1017","0.1076","","","","","","0.971","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326258","8.059","0.002","8.18","0.002","14.813","0.004","98.87","0.003","99.255","0.003","90.596","0.003","951.7","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H38 La2 O39 Sb2 -","- C16 H8 La2 O39 Sb2 -","- C16 H8 La2 O39 Sb2 -","1","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","","0.042","0.0387","","","0.0938","0.0964","","","","","","1.015","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326446","10.5684","0.0008","12.4018","0.0009","12.9434","0.0006","88.536","0.005","85.552","0.005","74.111","0.006","1626.71","0.19","100.1","","100.1","","","","","","","","","7","P 1","P 1","1","[(2-(diphenylphosphine)thiaphenolato)(p-methylphenylethane- 1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)] hexafluorophosphate","","","- C75 H62 Cl2 F6 P4 Ru S3 -","- C75 H62 Cl2 F6 P4 Ru S3 -","- C75 H62 Cl2 F6 P4 Ru S3 -","1","1","","Kagna Ouch; Mark S. Mashuta; Craig A. Grapperhaus","Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C-S Bond Formation/Cleavage","Inorganic Chemistry","2011","50","","9904","9914","10.1021/ic200416y","","","0.7107","MoKα","","0.1109","0.0807","","","0.1399","0.1536","","","","","","1.104","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326544","12.2711","0.0013","12.7492","0.0014","17.116","0.0018","92.199","0.002","108.397","0.002","106.231","0.002","2416","0.4","154","2","154","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H65 Cs2 O5 -","- C50 H65 Cs2 O5 -","- C100 H130 Cs4 O10 -","2","2","","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","","0.04","0.0379","","","0.0951","0.0969","","","","","","1.04","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326647","9.44","0.001","10.44","0.001","12.261","0.001","101.536","0.001","90.687","0.001","93.756","0.001","1181.02","0.19","293","2","293","2","","","","","","","","9","P 1","P 1","1","","","","- C48 H61 B Cu F4 N4 O P S -","- C48 H61 B Cu F4 N4 O P S -","- C48 H61 B Cu F4 N4 O P S -","1","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0564","0.0403","","","0.0604","0.0627","","","","","","1.002","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4327269","8.0205","0.0004","11.3239","0.0007","13.2253","0.0002","72.587","0.011","76.155","0.012","81.713","0.014","1109.41","0.12","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C42 H60 Cu3 N2 O14 -","- C42 H60 Cu3 N2 O14 -","- C42 H60 Cu3 N2 O14 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0678","","","","0.0735","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327270","7.9542","0.0002","11.3439","0.0005","15.2227","0.0005","78.269","0.008","75.176","0.007","80.948","0.009","1292.04","0.1","153.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C45 H65 Cl3 Cu3 N2 O14 -","- C45 H57 Cl3 Cu3 N2 O14 -","- C45 H57 Cl3 Cu3 N2 O14 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0705","","","","0.0909","","","","","","1.384","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327271","8.3126","0.0011","11.754","0.0016","13.3421","0.0019","107.902","0.004","101.114","0.005","93.751","0.004","1206.3","0.3","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C46 H68 Cu3 N2 O14 -","- C46 H68 Cu3 N2 O14 -","- C46 H68 Cu3 N2 O14 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0567","","","","0.0657","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327272","12.782","0.008","14.869","0.009","17.617","0.01","110.769","0.004","98.5016","0.0017","109.585","0.007","2811","3","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C54 H84 Cu3 N2 O14 -","- C54 H84 Cu3 N2 O14 -","- C108 H168 Cu6 N4 O28 -","2","2","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0617","","","","0.0745","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327273","8.1487","0.0001","12.2359","0.0001","16.9972","0.0003","72.113","0.008","78.973","0.009","65.529","0.006","1463.92","0.1","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C56 H88 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.047","","","","0.056","","","","","","0.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327573","9.2281","0.0012","9.304","0.0019","9.442","0.0013","114.054","0.014","93.112","0.011","104.44","0.014","705.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Tricarbonyl(2-pyridylbis(diphenylphosphino)methane)iron(0)","","- C33 H25 Fe N O3 P2 -","- C33 H25 Fe N O3 P2 -","- C33 H25 Fe N O3 P2 -","1","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.048","0.031","","","0.0761","0.0809","","","","","","1.064","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4328422","10.4757","0.0009","10.87","0.001","27.854","0.002","83.04","0.006","80.938","0.006","67.407","0.008","2885.4","0.5","110","","110","","","","","","","","","5","P 1","P 1","1","","","","- C62 H82 Co N4 O6 -","- C62 H82 Co N4 O6 -","- C124 H164 Co2 N8 O12 -","2","2","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Jean Bernard Tommasino; Nans Roques; Dominique Luneau","Versatile Chemical Transformations of Benzoxazole Based Ligands on Complexation with 3d-Metal Ions","Inorganic Chemistry","2012","51","","2588","2596","10.1021/ic202493z","","","0.7107","MoKα","","0.1081","0.0913","","0.2336","0.2189","0.2336","","","","","","0.9928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328477","13.248","0.002","13.779","0.002","14.05","0.001","108.3","0.01","103.97","0.01","110.889","0.002","2086.7","0.5","100","2","100","2","","","","","","","synthesis as described","6","P 1","P 1","1","","aa ?","","- C89 H89 N O15 P6 V3 -","- C89 H89 N O15 P6 V3 -","- C89 H89 N O15 P6 V3 -","1","1","","John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck","Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)","Inorganic Chemistry","2012","51","","2766","2776","10.1021/ic201259u","","x-ray","0.71069","MoKα","","0.0617","0.0475","","","0.099","0.1085","","","","","","0.998","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328479","13.1842","0.0008","13.7341","0.0009","13.9398","0.0009","108.063","0.001","103.954","0.001","110.953","0.001","2057.4","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C87.91 H88.34 N0.78 O15.22 P6 V3 -","- C87.91 H88.346 N0.782 O15.218 P6 V3 -","- C87.91 H88.346 N0.782 O15.218 P6 V3 -","1","1","","John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck","Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)","Inorganic Chemistry","2012","51","","2766","2776","10.1021/ic201259u","","x-ray","0.71073","MoKα","","0.0773","0.0516","","","0.1112","0.1196","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328890","15.082","0.005","15.242","0.005","17.234","0.008","74.492","0.004","67.296","0.007","71.961","0.005","3425","2","85","2","85","2","","","","","","","","6","P 1","P 1","1","","La[15-MC Cu(II), L-phenylalanineHA-5](isonicotinate)","","- C115 H148 Cu10 La2 N26 O49 -","- C115 H120 Cu10 La2 N26 O50 -","- C115 H120 Cu10 La2 N26 O50 -","1","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.064","0.0571","","","0.1758","0.1839","","","","","","0.738","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328892","15.1391","0.0012","15.5615","0.0012","17.1216","0.0014","72.1","0.001","77.87","0.001","66.827","0.001","3510.3","0.5","85","2","85","2","","","","","","","","6","P 1","P 1","1","","La[15-MC Cu(II), L-phenylalanineHA-5](terephthalate)","","- C106 H149 Cu10 La2 N22 O54.5 -","- C106 H108 Cu10 La2 N22 O54.5 -","- C106 H108 Cu10 La2 N22 O54.5 -","1","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0663","0.0523","","","0.1373","0.1516","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328894","15.4739","0.0006","15.7235","0.0006","16.5063","0.0006","106.389","0.001","99.092","0.001","98.734","0.001","3721.8","0.2","85","2","85","2","","","","","","","","6","P 1","P 1","1","","Gd[15-MC Cu(II), L-homopheHA-5](terephthalate)","","- C128 H183.5 Cu10 Gd2 N20 O53.75 -","- C128 H143 Cu10 Gd2 N20 O50.75 -","- C128 H143 Cu10 Gd2 N20 O50.75 -","1","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0415","0.0364","","","0.0924","0.0967","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328939","8.2488","0.0003","10.9973","0.0004","13.3696","0.0004","95.589","0.002","101.687","0.002","107.113","0.002","1119.01","0.07","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H30 Al Cl N2 -","- C22 H30 Al Cl N2 -","- C44 H60 Al2 Cl2 N4 -","2","2","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0778","0.0623","","","0.1698","0.1845","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328940","8.3271","0.0005","10.061","0.0006","13.492","0.0008","77.792","0.003","78.412","0.004","66.799","0.004","1006.71","0.11","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H26 Al Cl N2 -","- C20 H26 Al Cl N2 -","- C40 H52 Al2 Cl2 N4 -","2","2","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0688","0.0569","","","0.1503","0.1626","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4328984","13.11","0.0011","15.9661","0.0012","16.1721","0.001","73.882","0.004","81.157","0.006","89.561","0.006","3211.2","0.4","123","","123","","","","","","","","","7","P 1","P 1","1","","","","- C64 H64 Mn4 N8 O52 Si W12 -","- C64 H56 Mn4 N8 O52 Si W12 -","- C64 H56 Mn4 N8 O52 Si W12 -","1","1","","Yuki Sawada; Wataru Kosaka; Yoshihito Hayashi; Hitoshi Miyasaka","Coulombic Aggregations of MnIIIsalen-Type Complexes and Keggin-Type Polyoxometalates: Isolation of Mn2 Single-Molecule Magnets","Inorganic Chemistry","2012","51","","4824","4832","10.1021/ic300215q","","","0.7107","MoKα","","","0.0487","","","","0.1092","","","","","","0.987","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328985","13.782","0.004","15.611","0.005","17.204","0.005","77.258","0.013","71.271","0.012","70.782","0.012","3282.7","1.7","123","","123","","","","","","","","","8","P 1","P 1","1","","","","- C93 H80 Br8 Mn4 N9 O59 Si W12 -","- C93 H80 Br8 Mn4 N9 O59 Si W12 -","- C93 H80 Br8 Mn4 N9 O59 Si W12 -","1","1","","Yuki Sawada; Wataru Kosaka; Yoshihito Hayashi; Hitoshi Miyasaka","Coulombic Aggregations of MnIIIsalen-Type Complexes and Keggin-Type Polyoxometalates: Isolation of Mn2 Single-Molecule Magnets","Inorganic Chemistry","2012","51","","4824","4832","10.1021/ic300215q","","","0.7107","MoKα","","","0.0706","","","","0.1836","","","","","","1.078","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329042","7.9175","0.0015","8.3277","0.0018","12.571","0.003","80.108","0.007","77.305","0.007","77.748","0.007","783.3","0.3","89","2","89","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H30 Ag2 B2 F8 N10 O2 -","- C25 H30 Ag2 B2 F8 N10 O2 -","- C25 H30 Ag2 B2 F8 N10 O2 -","1","1","","Daniel J. Hutchinson; Scott A. Cameron; Lyall R. Hanton; Stephen C. Moratti","Sensitivity of Silver(I) Complexes of a Pyrimidine-Hydrazone Ligand to Solvent, Counteranion, and Metal-to-Ligand Ratio Changes","Inorganic Chemistry","2012","51","","5070","5081","10.1021/ic2025582","","","0.71073","MoKα","","0.0499","0.0481","","","0.1254","0.1268","","","","","","1.142","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329599","8.8577","0.0008","12.8475","0.0012","23.445","0.002","81.282","0.004","82.505","0.004","78.952","0.004","2574.1","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","[(S)-Napht(Me)HCNMe3]2[Ni(dmit)2]5,(CH3CN)4","","","- C68 H52 N6 Ni5 S50 -","- C68 H52 N6 Ni5 S50 -","- C68 H52 N6 Ni5 S50 -","1","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","","0.71073","MoKα","","0.0527","0.0318","","","0.0845","0.1184","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330058","8.3882","0.0011","11.5834","0.0012","15.6238","0.0017","104.822","0.007","95.921","0.007","93.118","0.008","1454.6","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H72 Cl4 N4 O12 Zn2 -","- C54 H72 Cl4 N4 O12 Zn2 -","- C54 H72 Cl4 N4 O12 Zn2 -","1","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.1238","0.0896","","","0.235","0.2631","","","","","","1.049","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330059","11.8749","0.0004","12.7931","0.0005","14.4674","0.0006","106.696","0.002","97.038","0.002","100.631","0.002","2032.77","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","1","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0686","0.0461","","","0.1011","0.1111","","","","","","0.986","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330060","11.8706","0.0007","12.7734","0.0009","14.4742","0.001","106.635","0.002","97.083","0.002","100.62","0.001","2030.4","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","1","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0616","0.0481","","","0.1274","0.1577","","","","","","1.037","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330552","8.949","0.001","11.835","0.002","13.649","0.002","77.16","0.01","72.86","0.01","85.7","0.02","1346.8","0.3","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C30 H40 Co N2 O4 -","- C30 H40 Co N2 O4 -","- C60 H80 Co2 N4 O8 -","2","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","","0.0705","0.0462","","","0.1011","0.1154","","","","","","1.1","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330557","11.669","0.002","14.268","0.003","16.805","0.003","71.73","0.03","69.68","0.03","66.9","0.03","2361.9","1","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C42.5 H58.75 Co F6 N8.25 O4 Sb -","- C42.5 H58.75 Co F6 N8.25 O4 Sb -","- C85 H117.5 Co2 F12 N16.5 O8 Sb2 -","2","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","","0.0837","0.0465","","","0.112","0.1322","","","","","","1.112","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330598","4.5584","0.0006","16.3294","0.0018","24.986","0.003","99.66","0.004","92.27","0.004","92.77","0.004","1829.2","0.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","(\±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)- 10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene hydrate","","- C42 H43 N3 O11 -","- C42 H39 N3 O11 -","- C84 H78 N6 O22 -","2","2","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1368","0.0876","","","0.2175","0.244","","","","","","0.988","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330695","8.9626","0.0016","8.9597","0.0016","10.89","0.002","99.41","0.003","99.424","0.003","91.889","0.003","849.5","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","(Me4N)[Ni(SN3)-OH]","","","- C34 H47 N7 Ni O3 S -","- C34 H47 N7 Ni O3 S -","- C34 H47 N7 Ni O3 S -","1","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","","0.0669","0.0581","","","0.1388","0.1454","","","","","","1.038","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330779","6.448","0.004","10.392","0.006","10.397","0.006","107.456","0.005","107.898","0.006","107.865","0.006","568.1","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","Rubidium Uranyl Fluoroborate","","","- B12 F6 O23 Rb2 U2 -","- B12 F6 O23 Rb2 U2 -","- B12 F6 O23 Rb2 U2 -","1","1","","Shuao Wang; T. Gannon Parker; Daniel J. Grant; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Elucidation of Tetraboric Acid with a New Borate Fundamental Building Block in a Chiral Uranyl Fluoroborate","Inorganic Chemistry","2012","51","","11211","11213","10.1021/ic300741s","","","0.71073","MoKα","","0.0314","0.0282","","","0.0626","0.0641","","","","","","0.982","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330917","12.5765","0.0008","13.5961","0.0009","27.8253","0.0018","82.997","0.001","88.741","0.001","71.763","0.001","4484.5","0.5","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H68 B3 Cu2 F13 N16 -","- C56 H68 B3 Cu2 F13 N16 -","- C168 H204 B9 Cu6 F39 N48 -","3","3","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.0709","0.048","","","0.1167","0.1322","","","","","","1.024","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330926","12.5708","0.001","13.2461","0.001","20.3636","0.0016","83.037","0.001","77.079","0.001","70.358","0.001","3108.7","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C125 H176 N8 P4 Te2 -","- C125 H176 N8 P4 Te2 -","- C125 H176 N8 P4 Te2 -","1","1","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.0747","0.0507","","","0.1076","0.1205","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330983","9.003","0.003","11.174","0.003","13.03","0.005","64.77","0.01","81.19","0.01","80.08","0.01","1163.4","0.7","170.2","","170.2","","","","","","","","","6","P 1","P 1","1","","","","- C55 H46 N5 O P2 Re -","- C55 H46 N5 O P2 Re -","- C55 H46 N5 O P2 Re -","1","1","","Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara","Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes","Inorganic Chemistry","2012","51","","12065","12074","10.1021/ic202243d","","","0.7107","MoKα","","","0.0487","","","","0.1251","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331194","8.265","0.004","12.523","0.007","18.64","0.009","95.869","0.009","99.529","0.008","107.303","0.013","1792.9","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H53 N5 O2 -","- C40 H53 N5 O2 -","- C80 H106 N10 O4 -","2","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","","0.0569","0.0462","","","0.1129","0.1208","","","","","","1.027","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331197","8.04522","0.00017","13.33","0.0003","15.0284","0.0003","89.4843","0.0017","74.9208","0.0019","88.9335","0.0017","1555.91","0.06","119.9","0.3","119.9","0.3","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Cl2 N5 O2 -","- C33 H39 Cl2 N5 O2 -","- C66 H78 Cl4 N10 O4 -","2","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","1.5418","CuKα","","0.0476","0.0475","","","0.1198","0.1198","","","","","","1.013","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331394","8.065","0.001","8.502","0.001","11.066","0.001","81.52","0.01","84.67","0.01","82.73","0.01","742.32","0.15","","","","","","","","","","","","5","P 1","P 1","1","","trans-Tetra-aqua-bis(xanthosinato-N)-zinc(ii) dihydrate","","- C20 H34 N8 O18 Zn -","- C20 N8 O18 Zn -","- C20 N8 O18 Zn -","1","1","","Miguel Quirós; Juan M. Salas; M. Purificación Sánchez; Juan R. Alabart; René Faure","A New Type of Divalent Metal Nucleosidate Complexes: Crystal Structure of trans-Tetraaquobis(xanthosinato)zinc(II) Dihydrate","Inorganic Chemistry","1991","30","","2916","2921","10.1021/ic00014a018","","","","","","","0.056","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331588","7.8346","0.0016","10.333","0.002","23.502","0.005","79.51","0.03","80.43","0.03","76.1","0.03","1801","0.7","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H28 Cl2 N8 O8 Zn -","- C44 H28 Cl2 N8 O8 Zn -","- C88 H56 Cl4 N16 O16 Zn2 -","2","2","","Ashley N. Carolan; Gregory M. Cockrell; Neil J. Williams; Gang Zhang; Donald G. VanDerveer; Hee-Seung Lee; Randolph P. Thummel; Robert D. Hancock","Selectivity of the Highly Preorganized Tetradentate Ligand 2,9-Di(pyrid-2-yl)-1,10-phenanthroline for Metal Ions in Aqueous Solution, Including Lanthanide(III) Ions and the Uranyl(VI) Cation","Inorganic Chemistry","2013","52","","15","27","10.1021/ic3002509","","","0.71073","MoKα","","0.0679","0.0507","","","0.095","0.1062","","","","","","1.003","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4332221","12.458","0.002","16.387","0.003","19.262","0.004","105.29","0.003","103.114","0.003","107.368","0.003","3414.9","1.1","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C98 H82 Cu5 F60 N16 O28 -","- C98 H82 Cu5 F60 N16 O28 -","- C98 H82 Cu5 F60 N16 O28 -","1","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.1607","0.0953","","","0.2497","0.3215","","","","","","1.001","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332244","8.701","0.005","9.057","0.005","9.267","0.005","74.079","0.011","79.883","0.011","80.106","0.01","685.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H16 Ag5 N9 -","- C25 H16 Ag5 N9 -","- C25 H16 Ag5 N9 -","1","1","","Liu, Xi; Guo,; Fu, Ming-Lai; Liu, Xue-Hui; Wang, Ming-Sheng; Huang, Jin-Shun","Three Novel Silver Complexes with Ligand-Unsupported Argentophilic Interactions and Their Luminescent Properties","Inorganic Chemistry","2006","45","9","3679","3685","10.1021/ic0601539","","","0.71073","MoKα","","0.0653","0.0501","","","0.148","0.17","","","","","","1.002","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332387","9.048","0.004","9.274","0.004","13.587","0.006","100.925","0.009","92.436","0.007","96.813","0.009","1109.1","0.8","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H54 Cl4 N4 O13 Zn2 -","- C38 H54 Cl4 N4 O13 Zn2 -","- C38 H54 Cl4 N4 O13 Zn2 -","1","1","","Tang, Yun-Zhi; Huang, Xue-Feng; Song, Yu-Mei; Hong Chan, Philip Wai; Xiong, Ren-Gen","Homochiral 1D Zinc−Quitenine Coordination Polymer with a High Dielectric Constant","Inorganic Chemistry","2006","45","13","4868","4870","10.1021/ic0603095","","","0.71073","MoKα","","0.0623","0.0498","","","0.0988","0.1012","","","","","","0.989","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332846","9.7268","0.0004","10.9351","0.0005","19.9748","0.0009","105.555","0.001","92.795","0.001","98.128","0.001","2017.83","0.15","295","2","295","2","","","","","","","","7","P 1","P 1","1","","","","- C41.5 H43 Cl2 N O5 P2 Pd -","- C41.5 H43 Cl2 N O5 P2 Pd -","- C83 H86 Cl4 N2 O10 P4 Pd2 -","2","2","","Pullarkat, Sumod A.; Yi, Ding; Li, Yongxin; Tan, Geok-Kheng; Leung, Pak-Hing","A Novel Approach toward Asymmetric Synthesis of Alcohol Functionalized C-Chiral Diphosphines via Two-Stage Hydrophosphination of Terminal Alkynols","Inorganic Chemistry","2006","45","18","7455","7463","10.1021/ic060937m","","","0.71073","MoKα","","0.0764","0.0569","","","0.1238","0.134","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332856","7.3994","0.0002","8.6119","0.0003","13.0072","0.0004","74.598","0.002","84.827","0.002","80.993","0.002","788.21","0.04","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","2","","Padhi, Sumanta Kumar; Manivannan, Vadivelu","Cu(NO3)2·3H2O-Mediated Synthesis of 4‘-(2-Pyridyl)-2,2‘:6‘,2‘ ‘-terpyridine (L2) fromN-(2-Pyridylmethyl)pyridine-2-methylketimine (L1). A C−C Bond-Forming Reaction and the Structure of {[Cu(L2)(OH)(NO3)][Cu(L2)(NO3)2]}·2H2O†","Inorganic Chemistry","2006","45","20","7994","7996","10.1021/ic060968h","","","0.71073","MoKα","","0.0298","0.0274","","","0.0746","0.0768","","","","","","1.035","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332870","8.631","0.0004","11.0609","0.0006","12.1112","0.0006","88.31","0.001","89.685","0.001","74.604","0.001","1114.24","0.1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H19.5 Cl4 N O8 Pu -","- C8 H19.5 Cl4 N O8 Pu -","- C16 H39 Cl8 N2 O16 Pu2 -","2","2","","Wilson, Richard E.; Almond, Philip M.; Burns, Peter C.; Soderholm, L.","The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution","Inorganic Chemistry","2006","45","21","8483","8485","10.1021/ic060979a","","","0.71073","MoKα","","0.0619","0.0407","","","0.071","0.0763","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333249","8.028","0.002","13.869","0.004","17.479","0.005","79.692","0.01","80.891","0.011","89.21","0.011","1890.3","0.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H19.5 N2.5 O2 S -","- C23 H19.5 N2.5 O2 S -","- C92 H78 N10 O8 S4 -","4","4","","Jung, Hyo Sung; Ko, Kyoung Chul; Lee, Jae Hong; Kim, Sang Hoon; Bhuniya, Sankarprasad; Lee, Jin Yong; Kim, Youngmee; Kim, Sung Jin; Kim, Jong Seung","Rationally Designed Fluorescence Turn-On Sensors: A New Design Strategy Based on Orbital Control","Inorganic Chemistry","2010","49","18","8552","8557","10.1021/ic101165k","","","0.71073","MoKα","","0.1253","0.0519","","","0.131","0.1861","","","","","","0.92","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333680","8.9356","0.001","12.285","0.0019","18.6118","0.0017","101.871","0.016","99.168","0.01","97.776","0.012","1943.8","0.4","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H40 F6 Ir2 O7 S4 -","- C30 H39 F6 Ir2 O7 S4 -","- C60 H78 F12 Ir4 O14 S8 -","2","2","","Aurélie Damas; Lise-Marie Chamoreau; Andrew L. Cooksy; Anny Jutand; Hani Amouri","π-Bonded Dithiolene Complexes: Synthesis, Molecular Structures, Electrochemical Behavior, and Density Functional Theory Calculations","Inorganic Chemistry","2013","52","","1409","1417","10.1021/ic302128q","","","0.71073","MoKα","","0.0693","0.0403","","","0.0774","0.0858","","","","","","0.986","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333972","5.5769","0.0004","5.6295","0.0003","5.5771","0.0003","60.3","0.001","60","0.001","60.308","0.001","124.376","0.013","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi2 Fe2 O6 -","2","2","","Hui Wang; Chengxu Yang; Jun Lu; Meimei Wu; Jie Su; Kuo Li; Junrong Zhang; Guobao Li; Tounan Jin; Takashi Kamiyama; Fuhui Liao; Jianhua Lin; Yicheng Wu","On the Structure of α-BiFeO3","Inorganic Chemistry","2013","52","","2388","2392","10.1021/ic302047z","","","0.71073","MoKα","","0.0791","0.0614","","","0.1535","0.1642","","","","","","1.001","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4334076","9.7096","0.0012","10.6095","0.0014","14.018","0.003","101.815","0.003","93.434","0.003","117.157","0.002","1238","0.3","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H32 N6 O20 P4 U3 -","- C39 H32 N6 O20 P4 U3 -","- C39 H32 N6 O20 P4 U3 -","1","1","","Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun","Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies","Inorganic Chemistry","2013","52","","2736","2743","10.1021/ic302847g","","","0.71073","MoKα","","0.0445","0.0418","","","0.098","0.1","","","","","","1.05","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334186","8.859","0.002","9.907","0.002","13.412","0.003","70.64","0.02","80.43","0.03","77.36","0.02","1078","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H58 Al2 N4 O Te -","- C46 H58 Al2 N4 O Te -","- C46 H58 Al2 N4 O Te -","1","1","","Sandra González-Gallardo; Aracely S. Cruz-Zavala; Vojtech Jancik; Fernando Cortés-Guzmán; Mónica Moya-Cabrera","Preparation of Telluro- and Selenoalumoxanes under Mild Conditions","Inorganic Chemistry","2013","52","","2793","2795","10.1021/ic302588f","","","0.71073","MoKα","","0.051","0.047","","","0.1045","0.1079","","","","","","1.036","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334513","11.632","0.003","12.699","0.004","13.603","0.005","95.315","0.014","104.618","0.019","113.66","0.018","1737.7","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","silver(I)penicillaminato hydrate","","","- C40 H96 Ag8 N8 O24 S8 -","- C40 H96 Ag8 N8 O24 S8 -","- C40 H96 Ag8 N8 O24 S8 -","1","1","","Bonnie O. Leung; Farideh Jalilehvand; Vicky Mah; Masood Parvez; Qiao Wu","Silver(I) Complex Formation with Cysteine, Penicillamine, and Glutathione","Inorganic Chemistry","2013","52","","4593","4602","10.1021/ic400192c","","","0.71073","MoKα","","0.1488","0.0619","","","0.0969","0.1247","","","","","","1.024","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334575","9.0049","0.0013","11.9725","0.0017","12.691","0.0018","68.519","0.002","87.54","0.002","70.532","0.002","1195.5","0.3","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C46 H32 Cu2 N14 Pt S6 -","- C46 H32 Cu2 N14 Pt S6 -","- C46 H32 Cu2 N14 Pt S6 -","1","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0317","0.0274","","","0.0602","0.062","","","","","","1.035","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334635","13.9392","0.0003","14.4645","0.0003","19.5726","0.0014","83.76","0.006","89.32","0.006","74.143","0.005","3773","0.3","85","2","85","2","","","","","","","","7","P 1","P 1","1","","","","- C107.75 H112 F7.5 N27 O34.75 S2.5 Zn10 -","- C107.75 H96 F7.5 N27 O34.75 S2.5 Zn10 -","- C107.75 H96 F7.5 N27 O34.75 S2.5 Zn10 -","1","1","","Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro","Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes","Inorganic Chemistry","2013","52","","5063","5076","10.1021/ic302831u","","","1.54178","CuKα","","0.0718","0.0699","","","0.2113","0.2144","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334712","3.5631","0.0006","12.872","0.003","12.876","0.002","60.098","0.011","88.407","0.012","88.42","0.013","511.67","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- B7 Ca9 F2 Li5 O21 -","- B7 Ca9 F2 Li5 O21 -","- B7 Ca9 F2 Li5 O21 -","1","1","","Hongwei Yu; Hongping Wu; Shilie Pan; Ying Wang; Zhihua Yang; Xin Su","New Salt-Inclusion Borate, Li3Ca9(BO3)7.2[LiF]: A Promising UV NLO Material with the Coplanar and High Density BO3 Triangles","Inorganic Chemistry","2013","52","","5359","5365","10.1021/ic4002779","","","0.71073","MoKα","","0.0395","0.0338","","","0.0675","0.0712","","","","","","1.024","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334715","9.983","0.002","10.5651","0.0015","12.121","0.002","67.97","0.012","72.291","0.016","66.354","0.012","1067.6","0.3","296","2","296","2","","","","","","","","8","P 1","P 1","1","","","","- C32 H38 Cl2 Cu N4 O20 Pt S2 -","- C32 H38 Cl2 Cu N4 O20 Pt S2 -","- C32 H38 Cl2 Cu N4 O20 Pt S2 -","1","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","","","0.71069","MoKα","","0.0254","0.0254","","","0.0652","0.0653","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335043","13.9716","0.0011","16.1139","0.0013","19.7129","0.0016","88","0.001","72.118","0.001","67.78","0.001","3893.4","0.5","172","2","172","2","","","","","","","","6","P 1","P 1","1","","","","- C116 H88 Cl4 N24 O28 Zn2 -","- C116 H88 Cl4 N24 O28 Zn2 -","- C116 H88 Cl4 N24 O28 Zn2 -","1","1","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0693","0.0553","","","0.161","0.1722","","","","","","1.11","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335044","16.467","0.003","24.962","0.005","27.659","0.006","100.71","0.03","93.73","0.03","98.49","0.03","10999","4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C126.5 H100 Cl4 Mn2 N24 O28 -","- C126.5 H100 Cl3 Mn2 N24 O24 -","- C253 H200 Cl6 Mn4 N48 O48 -","2","2","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.2299","0.1263","","","0.275","0.3188","","","","","","0.788","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335320","12.7766","0.0001","13.9229","0.0001","27.2566","0.0004","80.822","0.0003","84.8511","0.0004","67.7105","0.0007","4426.61","0.08","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H72 F6 Fe N8 O10 S2 -","- C46 H72 F6 Fe N8 O10 S2 -","- C138 H216 F18 Fe3 N24 O30 S6 -","3","3","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.0786","0.0496","","","0.1116","0.1264","","","","","","0.999","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335609","12.267","0.002","12.899","0.003","16.729","0.003","69.88","0.03","73.43","0.03","71.44","0.03","2309.9","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H50 Dy F9 N2 O6 -","- C46 H50 Dy F9 N2 O6 -","- C92 H100 Dy2 F18 N4 O12 -","2","2","","Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu","Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands","Inorganic Chemistry","2013","52","","8933","8940","10.1021/ic4011218","","","0.71073","MoKα","","0.0584","0.0552","","","0.1159","0.1195","","","","","","1.064","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4336139","6.954","0.002","14.566","0.007","22.183","0.008","100.399","0.015","94.054","0.011","101.219","0.014","2154.7","1.4","200","","200","","","","","","","","","5","P 1","P 1","1","","[Mg(O2C-2-CH3CONHC6H4)(H2O)5][O2C-2-CH3CONHC6H4]","","- C18 H26 Mg N2 O11 -","- C18 H26 Mg N2 O11 -","- C72 H104 Mg4 N8 O44 -","4","4","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.148","0.0599","","","0.1266","0.164","","","","","","1","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336340","5.4792","0.0005","7.0445","0.0005","8.1951","0.0009","105.837","0.008","95.241","0.008","110.269","0.008","279.34","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Au I4 Na O12 -","- Au I4 Na O12 -","- Au I4 Na O12 -","1","1","","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","","0.0274","0.027","","","0.0689","0.069","","","","","","1.064","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336413","8.8332","0.0002","9.9439","0.0002","13.8786","0.0003","78.2203","0.0008","76.8323","0.0008","84.2275","0.001","1160.13","0.04","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C18 H29 Cl2 Fe N4 O8 -","- C18 H19 Cl2 Fe N4 O8 -","- C36 H38 Cl4 Fe2 N8 O16 -","2","2","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia","Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution","Inorganic Chemistry","2013","52","","11778","11786","10.1021/ic401055k","","","0.71073","MoKα","","0.0706","0.0609","","","0.1869","0.201","","","","","","1.072","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336485","10.3479","0.0002","14.2287","0.0002","19.0288","0.0002","93.072","0.001","98.916","0.001","107.714","0.001","2621.51","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C100 H128 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0499","0.0477","","","0.1244","0.1272","","","","","","1.02","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336486","10.7036","0.0003","18.3229","0.0004","18.4237","0.0005","63.578","0.002","88.824","0.002","83.348","0.002","3212.1","0.16","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0891","0.0823","","","0.2132","0.2231","","","","","","1.028","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336487","10.3574","0.0002","14.2352","0.0002","19.0283","0.0003","93.002","0.001","98.974","0.001","107.739","0.001","2624.5","0.08","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C100 H128 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0554","0.0531","","","0.1392","0.1429","","","","","","1.019","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336488","10.6881","0.0004","18.3271","0.0007","18.4365","0.0009","63.639","0.004","88.776","0.003","83.366","0.003","3212.4","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0844","0.0771","","","0.2012","0.2118","","","","","","1.045","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336687","11.481","0.004","12.072","0.004","12.9","0.004","96.9","0.03","91.94","0.03","92.08","0.03","1772.5","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C53.7 H101 N10 O26.3 Sm3 -","- C53.73 H99.92 N10 O26.34 Sm3 -","- C53.73 H99.92 N10 O26.34 Sm3 -","1","1","","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","","0.0603","0.0491","","","0.121","0.1257","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336747","11.8544","0.0009","13.7194","0.0009","13.9351","0.0009","66.634","0.003","74.122","0.003","66.577","0.004","1890.9","0.2","100","","100","","","","","","","","","6","P 1","P 1","1","MoI2(I3)(CNArMes2)3","","","- C79 H85 I5 Mo N3 O -","- C79 H85 I5 Mo N3 O -","- C79 H85 I5 Mo N3 O -","1","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","1.54178","CuKα","K-L~3~","0.0327","0.0308","","","0.0751","0.0764","","","","","","1.013","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336967","11.3533","0.0015","11.4578","0.0015","12.932","0.003","109.471","0.002","101.616","0.002","112.42","0.002","1358","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H58 Ag4 N16 O9 S2 -","- C40 H56 Ag4 N16 O9 S2 -","- C40 H56 Ag4 N16 O9 S2 -","1","1","","Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu","Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties","Inorganic Chemistry","2013","52","","14018","14027","10.1021/ic401765r","","","0.71073","MoKα","","0.0672","0.0532","","","0.1381","0.1536","","","","","","1.05","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4337044","13.0361","0.0007","15.7152","0.0009","18.9419","0.0011","66.11","0.001","75.938","0.001","85.651","0.002","3440.6","0.3","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C60 H83 Au3 N2 O14 P4 S2 -","- C60 H58 Au3 N2 O14 P4 S2 -","- C120 H116 Au6 N4 O28 P8 S4 -","2","2","","Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno","Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate","Inorganic Chemistry","2013","52","","14368","14375","10.1021/ic4024629","","","0.71075","MoKα","","0.1047","0.0838","","","0.2146","0.2393","","","","","","1.126","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337410","7.4936","0.0004","7.5769","0.0003","8.2308","0.0004","77.881","0.004","84.744","0.004","82.716","0.004","452.21","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- H2 I3 O9 Rb -","- H2 I3 O9 Rb -","- H4 I6 O18 Rb2 -","2","2","","Xu, Xiang; Yang, Bing-Ping; Huang, Chao; Mao, Jiang-Gao","Explorations of New Second-Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β-RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5)(HIO3)4(H2O).","Inorganic chemistry","2014","53","3","1756","1763","10.1021/ic4028942","","","0.71073","MoKα","","0.0294","0.0269","","","0.0543","0.0559","","","","","","0.977","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337608","12.9998","0.001","16.084","0.0012","17.3773","0.0013","89.415","0.001","88.892","0.001","73.189","0.001","3477.4","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H78 Mn4 N10 Na O30 Y -","- C54 H78 Mn4 N10 Na O30 Y -","- C108 H156 Mn8 N20 Na2 O60 Y2 -","2","2","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0532","0.0402","","","0.0928","0.0996","","","","","","1.039","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337751","9.7963","0.0004","10.7133","0.0004","13.6446","0.0006","75.44","0.002","85.146","0.002","79.953","0.002","1363.52","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","Tetrabutylammonium trichlorido-L-serinato-nitrosyl-ruthenate(III)","","- C19 H42.15 Cl3 N3 O4.08 Ru -","- C19 H42 Cl3 N3 O4.075 Ru -","- C38 H84 Cl6 N6 O8.15 Ru2 -","2","2","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0243","0.0211","","","0.0491","0.0508","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338117","5.205","0.003","6.871","0.004","8.804","0.005","106.19","0.007","91.612","0.006","103.098","0.005","293.1","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H10 N2 Se2 -","- C12 H10 N2 Se2 -","- C12 H10 N2 Se2 -","1","1","","Kimura, Takeshi; Nakahodo, Tsukasa; Fujihara, Hisashi; Suzuki, Eiichi","4,5-Dicyano-3,6-diethylbenzo-1,2-diselenete, a Highly Stable 1,2-Diselenete: Its Preparation, Structural Characterization, Calculated Molecular Orbitals, and Complexation with Tetrakis(triphenylphosphine)palladium.","Inorganic chemistry","2014","53","9","4411","4417","10.1021/ic5000765","","","0.71075","MoKα","","0.0296","0.0291","","","0.0726","0.0732","","","","","","1.062","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338272","9.0711","0.0005","9.6401","0.0004","11.0829","0.0007","90.337","0.004","113.571","0.006","98.063","0.004","877.46","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H40 Cu2 N10 O6 -","- C30 H40 Cu2 N10 O6 -","- C30 H40 Cu2 N10 O6 -","1","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","1.54184","CuKα","","0.0381","0.0351","","","0.0943","0.0971","","","","","","1.048","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338459","8.9081","0.0004","10.2099","0.0005","11.4562","0.0005","91.404","0.003","97.115","0.003","114.544","0.003","937.17","0.08","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H34 Cl4 O4 P2 S -","- C40 H34 Cl4 O4 P2 S -","- C40 H34 Cl4 O4 P2 S -","1","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.0505","0.0395","","","0.0759","0.0822","","","","","","1.027","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338545","13.4725","0.0019","13.71","0.002","13.773","0.002","67.915","0.012","62.217","0.01","68.617","0.011","2029.2","0.6","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H23 Cu3 K6 N6 O26.5 -","- C24 H23 Cu3 K6 N6 O26.5 -","- C48 H46 Cu6 K12 N12 O53 -","2","2","","Dul, Marie-Claire; Ottenwaelder, Xavier; Pardo, Emilio; Lescouëzec, Rodrigue; Journaux, Yves; Chamoreau, Lise-Marie; Ruiz-García, Rafael; Cano, Joan; Julve, Miguel; Lloret, Francesc","Ferromagnetic Coupling by Spin Polarization in a Trinuclear Copper(II) Metallacyclophane with a Triangular Cage-Like Structure","Inorganic chemistry","2009","48","12","5244","5249","10.1021/ic9002274","","","0.71073","MoKα","","0.0802","0.0487","","","0.1136","0.1304","","","","","","1.023","","","","has coordinates","209989","2020-10-21","18:00:00",""
"4338936","10.359","0.006","12.437","0.007","18.888","0.011","94.599","0.009","104.701","0.009","101.002","0.009","2289","2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H27 Cl2 Cu N6 O4.5 -","- C18 H22 Cl2 Cu N6 O4.5 -","- C72 H88 Cl8 Cu4 N24 O18 -","4","4","","Patra, Ashis K.; Bhowmick, Tuhin; Ramakumar, Suryanarayanarao; Chakravarty, Akhil R.","Metal-based netropsin mimics showing AT-selective DNA binding and DNA cleavage activity at red light.","Inorganic chemistry","2007","46","22","9030","9032","10.1021/ic701326z","","","0.71073","MoKα","","0.0588","0.0454","","","0.1226","0.1326","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338969","9.9874","0.0003","10.4103","0.0003","18.6414","0.0007","93.513","0.002","103.462","0.002","100.661","0.001","1841.32","0.11","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C36.5 H40.5 As Cl2.5 N O4 P Pd -","- C36.5 H40.5 As Cl2.5 N O4 P Pd -","- C73 H81 As2 Cl5 N2 O8 P2 Pd2 -","2","2","","Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction.","Inorganic chemistry","2007","46","22","9488","9494","10.1021/ic701419j","","","0.71073","MoKα","","0.0275","0.0253","","","0.0623","0.0656","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339149","8.2566","0.0005","10.396","0.0006","10.4792","0.0006","95.528","0.001","91.541","0.001","106.084","0.001","858.91","0.09","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C31 H30 Ag F3 N12 O5 S -","- C31 H30 Ag F3 N12 O5 S -","- C31 H30 Ag F3 N12 O5 S -","1","1","","Reger, Daniel L.; Foley, Elizabeth A.; Semeniuc, Radu F.; Smith, Mark D.","Structural comparisons of silver(I) complexes of third-generation ligands built from tridentate (o-C(6)H(4)[CH(2)OCH(2)C(pz)(3)](2)) versus bidentate poly(1-pyrazolyl)methane units (o-C(6)H(4)[CH(2)OCH(2)CH(pz)(2)](2)) (pz = pyrazolyl ring).","Inorganic chemistry","2007","46","26","11345","11355","10.1021/ic7017743","","","0.71073","MoKα","","0.0524","0.0494","","","0.1198","0.1219","","","","","","0.996","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339832","14.8875","0.0008","16.5889","0.0009","19.0688","0.0011","105.936","0.002","100.285","0.004","90.298","0.003","4448.3","0.4","200","","200","","","","","","","","?","4","P 1","P 1","1","","","","- C96 H96 P8 Pd2 -","- C96 H96 P8 Pd2 -","- C192 H192 P16 Pd4 -","2","2","","Kitto, Heather J.; Rae, A. David; Webster, Richard D.; Willis, Anthony C.; Wild, S. Bruce","Synthesis, structure, and electrochemistry of di- and zerovalent nickel, palladium, and platinum monomers and dimers derived from an enantiopure (S,S)-tetra(tertiary phosphine).","Inorganic chemistry","2007","46","19","8059","8070","10.1021/ic700912q","","","0.71073","MoKα","","0.149","0.08","","0.119","0.104","0.104","","","","","","1.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339837","10.3932","0.001","11.8701","0.0011","12.1822","0.0012","99.017","0.002","98.096","0.001","113.352","0.001","1328.2","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H67 Cl3 N4 O18 -","- C50 H67 Cl3 N4 O18 -","- C50 H67 Cl3 N4 O18 -","1","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Danesi, Andrea; Devillanova, Francesco A.; Garau, Alessandra; Gelbrich, Thomas; Isaia, Francesco; Lippolis, Vito; Hursthouse, Michael B.; Valtancoli, Barbara; Wilson, Claire","New fluorescent chemosensors for heavy metal ions based on functionalized pendant arm derivatives of 7-anthracenylmethyl-1,4,10-trioxa-7,13-diazacyclopentadecane.","Inorganic chemistry","2007","46","19","8088","8097","10.1021/ic700657j","","","0.71073","MoKα","","0.0724","0.0565","","","0.1251","0.1321","","","","","","0.956","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4340138","9.98","0.0002","10.003","0.0002","10.456","0.0002","65.486","0.001","63.506","0.001","89.169","0.001","831.13","0.03","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H30 Br2 Ni O2 P2 -","- C36 H30 Br2 Ni O2 P2 -","- C36 H30 Br2 Ni O2 P2 -","1","1","","Poulten, Rebecca C.; López, Isidoro; Llobet, Antoni; Mahon, Mary F.; Whittlesey, Michael K.","Stereoelectronic effects in C-h bond oxidation reactions of ni(i) N-heterocyclic carbene complexes.","Inorganic chemistry","2014","53","14","7160","7169","10.1021/ic500213h","","","0.71073","MoKα","","0.0315","0.0278","","","0.0622","0.0645","","","","","","1.063","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340367","11.3642","0.001","12.0847","0.0011","17.144","0.002","104.668","0.002","96.421","0.002","116.715","0.001","1964","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","complex 2","","","- C35 H40 B Cl2 F4 Ir N10 -","- C35 H40 B Cl2 F4 Ir N10 -","- C70 H80 B2 Cl4 F8 Ir2 N20 -","2","2","","Monti, Filippo; Baschieri, Andrea; Gualandi, Isacco; Serrano-Pérez, Juan J; Junquera-Hernández, José M; Tonelli, Domenica; Mazzanti, Andrea; Muzzioli, Sara; Stagni, Stefano; Roldan-Carmona, Cristina; Pertegás, Antonio; Bolink, Henk J.; Ortí, Enrique; Sambri, Letizia; Armaroli, Nicola","Iridium(III) Complexes with Phenyl-tetrazoles as Cyclometalating Ligands.","Inorganic chemistry","2014","53","14","7709","7721","10.1021/ic500999k","","","0.71073","MoKα","","0.0338","0.0306","","","0.0844","0.0865","","","","","","1.054","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340484","13.793","0.005","16.125","0.005","16.939","0.005","105.022","0.005","106.93","0.005","112.167","0.005","3034.4","1.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C111 H108 Cl9 Fe5 N17 O20 P3 -","- C111 H108 Cl9 Fe5 N17 O20 P3 -","- C111 H108 Cl9 Fe5 N17 O20 P3 -","1","1","","Goura, Joydeb; Bag, Prasenjit; Mereacre, Valeriu; Powell, Annie K.; Chandrasekhar, Vadapalli","Molecular Iron(III) Phosphonates: Synthesis, Structure, Magnetism, and Mössbauer Studies.","Inorganic chemistry","2014","53","15","8147","","10.1021/ic5012154","","","0.71069","MoKα","","0.0605","0.0501","","","0.1231","0.129","","","","","","1.032","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340874","10.2998","0.0012","10.3196","0.0012","12.2239","0.0014","68.119","0.0017","73.78","0.0018","72.19","0.0018","1127.6","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","Rh2Br2(tfepma)2(4-F-C6H4NC)","","","- C25 H26 Br2 F25 N3 O8 P4 Rh2 -","- C25 H26 Br2 F25 N3 O8 P4 Rh2 -","- C25 H26 Br2 F25 N3 O8 P4 Rh2 -","1","1","","Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.","Halide-Bridged Binuclear HX-Splitting Catalysts.","Inorganic chemistry","2014","53","17","9122","9128","10.1021/ic501136m","","","0.71073","MoKα","","0.1026","0.0609","","","0.0932","0.1088","","","","","","1.01","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4341092","8.2774","0.0009","8.748","0.0008","14.9786","0.001","87.538","0.007","86.488","0.008","67.847","0.01","1002.43","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H48 N8 O10 S2 -","- C38 H48 N8 O10 S2 -","- C38 H48 N8 O10 S2 -","1","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","0.71073","MoKα","","0.1774","0.0835","","","0.1441","0.2058","","","","","","0.95","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341433","8.031","0.003","8.923","0.003","9.111","0.003","93.598","0.004","108.804","0.004","103.521","0.004","594.1","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0414","0.0367","","","0.0922","0.0979","","","","","","1.046","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341434","8.0532","0.0017","8.9284","0.0019","9.111","0.002","93.563","0.003","108.91","0.002","103.594","0.003","595.5","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0259","0.0237","","","0.0586","0.0596","","","","","","1.047","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341436","8.0024","0.0014","8.8989","0.0016","9.1287","0.0016","93.868","0.002","108.723","0.002","103.234","0.002","592.28","0.18","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0233","0.0213","","0.0513","0.0506","0.05","","","","","","0.8512","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341437","8.0016","0.0012","8.9089","0.0014","9.127","0.0014","93.9196","0.0018","108.724","0.0016","103.224","0.0017","592.71","0.16","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0244","0.0234","","0.0587","0.0584","0.0577","","","","","","0.8764","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341516","9.089","","9.769","","17.242","","73.95","","87.38","","72.36","","1400.86","","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H58 Au2 Cl4 N2 O6 P2 -","- C53 H58 Au2 Cl4 N2 O6 P2 -","- C53 H58 Au2 Cl4 N2 O6 P2 -","1","1","","Kriechbaum, Margit; List, Manuela; Himmelsbach, Markus; Redhammer, Günther J; Monkowius, Uwe","Peptide Coupling between Amino Acids and the Carboxylic Acid of a Functionalized Chlorido-gold(I)-phosphane.","Inorganic chemistry","2014","53","19","10602","10610","10.1021/ic5017142","","","0.71073","MoKα","","0.0517","0.0419","","","0.0877","0.0921","","","","","","0.992","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341917","10.8546","0.0003","10.9884","0.0003","13.7821","0.0004","82.9604","0.0007","85.6641","0.0008","78.0685","0.0007","1594.08","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C35.5 H22 F10 N4 Zn -","- C35.5 H22 F10 N4 Zn -","- C71 H44 F20 N8 Zn2 -","2","2","","Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin","Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.","Inorganic chemistry","2015","54","1","379","388","10.1021/ic5025873","","","1.54184","CuKα","","0.0278","0.0278","","","0.0743","0.0743","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342518","12.3331","0.0007","14.7388","0.0008","14.9946","0.0008","111.546","0.002","105.075","0.003","106.267","0.003","2223.6","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H61 N2 O17.5 U2 -","- C40 H58 N2 O17.5 U2 -","- C80 H116 N4 O35 U4 -","2","2","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0518","0.0441","","","0.0982","0.1016","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342661","15.7404","0.0008","16.2104","0.0008","19.6147","0.001","107.23","0.001","102.43","0.001","109.87","0.001","4208.4","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H124.5 Cl2 Cr3 Ho3 N4.5 O27.5 -","- C57 H115 Cl2 Cr3 Ho3 N4.5 O27.5 -","- C114 H230 Cl4 Cr6 Ho6 N9 O55 -","2","2","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0268","0.0256","","","0.0662","0.0668","","","","","","1.043","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342719","6.3443","0.0002","9.3938","0.0003","11.9664","0.0005","98.943","0.002","104.227","0.002","94.9","0.002","677.17","0.04","180","2","180","2","","","","","","","","7","P 1","P 1","1","","","","- C9 H13 F6 N2 O2 P Ru -","- C9 H13 F6 N2 O2 P Ru -","- C18 H26 F12 N4 O4 P2 Ru2 -","2","2","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0838","0.0456","","","0.0924","0.0972","","","","","","0.879","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4343167","5.737","0.004","9.22","0.006","11.957","0.008","79.343","0.016","85.956","0.013","88.69","0.019","620","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H27 N3 O8 S Zn -","- C24 H27 N3 O8 S Zn -","- C24 H27 N3 O8 S Zn -","1","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Wang, Yong; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Wu, Xintao","From Pair Quadruple- to Single-Stranded Helices to Lines in a Mixed Ligand System via Adjusting the N-Substituent of l-Glu.","Inorganic chemistry","2015","54","8","3951","3957","10.1021/acs.inorgchem.5b00130","","","0.71073","MoKα","","0.0385","0.0323","","","0.0503","0.0524","","","","","","0.896","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343661","8.304","","5.667","","5.683","","102.48","","75.96","","104.07","","248.129","","","","","","","","","","","","","4","P 1","P 1","1","","B3 H7 (C O)","","- C H7 B3 O -","- C H7 B3 O -","- C2 H14 B6 O2 -","2","2","","Glore, J.D.; Schaeffer, R.; Rathke, J.W.","Studies of boranes. XXXVII. Some reactions of triborane(7) and the structure of triborane(7)-carbonyl","Inorganic Chemistry","1973","12","","2175","2178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343810","7.6987","","8.677","","14.561","","88.04","","83.473","","75.969","","937.539","","","","","","","","","","","","","6","P 1","P 1","1","","(Cu (S C ((N H) (C H3))2)3) Br","","- C9 H24 Br Cu N6 S3 -","- C9 H24 Br Cu N6 S3 -","- C18 H48 Br2 Cu2 N12 S6 -","2","2","","Bowmaker, G.A.; Hanna, J.V.; Pakawatchai, C.; Skelton, B.W.; Thanyasirikul, Y.; White, A.H.","Crystal structures and vibrational spectroscopy of copper(I) thiourea complexes","Inorganic Chemistry","2009","48","","350","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343873","9.3779","","9.3779","","9.3779","","90","","90","","90","","824.739","","","","","","","","","","","","","3","P 1","P 1","1","","Sn7 Pt4 Sb5.5","","- Pt4 Sb5.5 Sn7 -","- Pt4 Sb5.5 Sn7 -","- Pt8 Sb11 Sn14 -","2","2","","Liang, Y.; Baenitz, M.; Borrmann, H.; Schnelle, W.; Budnyk, S.; Zhao, J.T.; Grin', Yu.","Sn(x) Pt4 Sn(y) Sb(12-y): a skutterudite with covalently bonded filler","Inorganic Chemistry","2008","47","","9489","9496","","","","","","","","","","","","","","","","","","","","","","has coordinates","151261","2020-10-21","18:00:00",""
"4343994","9.4072","0.0007","11.0781","0.0007","19.9755","0.0014","94.384","0.005","101.866","0.006","103.475","0.006","1964.2","0.2","170","2","170","2","","","","","","","","6","P 1","P 1","1","","","","- C79 H76 Cl10 Fe3 N12 O2 -","- C79 H76 Cl10 Fe3 N12 O2 -","- C79 H76 Cl10 Fe3 N12 O2 -","1","1","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","x-ray","0.71073","MoKα","","0.0536","0.0409","","","0.0962","0.1008","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344095","12.0649","0.0006","15.9904","0.0008","21.2462","0.0011","102.169","0.003","101.766","0.002","100.942","0.002","3804.8","0.3","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C89 H79 B N2 Ni P4 -","- C89 H79 B N2 Ni P4 -","- C178 H158 B2 N4 Ni2 P8 -","2","2","","Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.","Inorganic chemistry","2015","54","17","8717","8726","10.1021/acs.inorgchem.5b01363","","","0.71073","MoKα","","0.073","0.0583","","0.1526","0.1435","0.1526","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344265","12.568","","12.719","","18.676","","87.3","","79.9","","82.38","","2912.31","","","","","","","","","","","","","7","P 1","P 1","1","","K3 ((Pr (H2 O)4 Si W11 O39) (Na Pr2 (H2 O)12) (Pr (H2 O)4 Si W11 O39)) (H2 O)13.5","","- H67 K3 Na O111.5 Pr4 Si2 W22 -","- K3 Na O111.5 Pr4 Si2 W22 -","- K3 Na O111.5 Pr4 Si2 W22 -","1","1","","Niu, J.-Y.; Zhao, J.-W.; Wang, J.-P.","Synthesis, crystal structure and characterization of a praseodymium (III)-substituted silicotungstate with a novel 1D chain connection motif","Inorganic Chemistry Communications","2004","7","","876","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344596","5.8291","0.0012","8.9393","0.0018","16.659","0.003","105.38","0.03","90.53","0.03","92.73","0.03","835.8","0.3","200","","200","","","","","","","","","6","P 1","P 1","1","","","","- C35 H48 F2 N4 Ni O -","- C35 H48 F2 N4 Ni O -","- C35 H48 F2 N4 Ni O -","1","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0625","0.0534","","","0.1216","0.1259","","","","","","1.063","","","","has coordinates","175517","2020-10-21","18:00:00",""
"4344640","12.7976","0.0013","13.3807","0.0013","13.8252","0.0014","96.816","0.002","106.05","0.002","117.22","0.002","1938.2","0.3","296","2","296","2","","","","","","","","10","P 1","P 1","1","","","","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","1","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.0508","0.0434","","","0.1133","0.1203","","","","","","1.073","","","","has coordinates,has disorder","175540","2020-10-21","18:00:00",""
"4344732","9.4197","0.0003","9.4229","0.0003","12.7283","0.0003","110.289","0.003","93.258","0.002","112.426","0.003","955.95","0.06","104.7","1","104.7","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br2 Fe P3 Si -","- C40 H39 Br2 Fe P3 Si -","- C40 H39 Br2 Fe P3 Si -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","x-ray","1.54184","CuKα","","0.0199","0.0195","","","0.0539","0.0539","","","","","","1.074","","","","has coordinates","175601","2020-10-21","18:00:00",""
"4344733","9.286","0.01","9.318","0.01","12.642","0.013","94.8155","0.0018","109.849","0.008","110.022","0.014","941.6","1.7","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C41 H39 Cl2 Fe P3 -","- C41 H39 Cl2 Fe P3 -","- C41 H39 Cl2 Fe P3 -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0436","0.0374","","","0.0807","0.0858","","","","","","0.8984","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4344737","9.341","0.007","9.463","0.007","12.799","0.009","93.56","0.008","109.985","0.007","112.137","0.0011","960.9","1.2","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 Fe P3 Si -","- C40 H39 Cl2 Fe P3 Si -","- C40 H39 Cl2 Fe P3 Si -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0354","0.0326","","","0.0643","0.0656","","","","","","0.9599","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4345575","9.9246","0.0002","10.7159","0.0002","11.3098","0.0002","76.6714","0.0019","73.361","0.002","72.03","0.002","1082.8","0.04","120","1","120","1","","","","","","","","4","P 1","P 1","1","","","","- C22 H35 N3 O2 -","- C22 H35 N3 O2 -","- C44 H70 N6 O4 -","2","2","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0365","0.0333","","","0.0797","0.0817","","","","","","1.026","","","","has coordinates,has disorder","194705","2020-10-21","18:00:00",""
"4345825","8.5551","0.0002","9.6743","0.0002","17.6421","0.0006","87.003","0.002","76.564","0.002","89.5481","0.0019","1418.22","0.07","110","2","110","2","","","","","","","","7","P 1","P 1","1","","","","- C27 H30 F6 N5 O3 P Ru -","- C27 H30 F6 N5 O3 P Ru -","- C54 H60 F12 N10 O6 P2 Ru2 -","2","2","","Cuello-Garibo, Jordi-Amat; Pérez-Gallent, Elena; van der Boon, Lennard; Siegler, Maxime A.; Bonnet, Sylvestre","Influence of the Steric Bulk and Solvent on the Photoreactivity of Ruthenium Polypyridyl Complexes Coordinated to l-Proline.","Inorganic chemistry","2017","56","9","4818","4828","10.1021/acs.inorgchem.6b02794","","","0.71073","MoKα","","0.0308","0.0282","","","0.0639","0.0654","","","","","","1.029","","","","has coordinates,has disorder","195992","2020-10-21","18:00:00",""
"4345988","5.6999","","5.8758","","8.0662","","88.8726","","87.4304","","90.2408","","269.822","","300","","300","","","","","","","","","3","P 1","P 1","1","","","","- Cu H O -","- Cu H O -","- Cu8 H8 O8 -","8","8","","Li, Yunguo; Lousada, Cláudio M; Soroka, Inna L; Korzhavyi, Pavel A","Bond network topology and antiferroelectric order in cuprice CuOH.","Inorganic chemistry","2015","54","18","8969","8977","10.1021/acs.inorgchem.5b01030","","","1.54","CuKα","","","","","","","","","","","","","","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4346085","13.6292","0.0014","14.174","0.002","30.143","0.008","85.37","0.015","88.106","0.01","63.346","0.009","5187.2","1.7","150","2","150","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","1","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Complete series of chiral paramagnetic molecular conductors based on tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) and Chloranilate-bridged heterobimetallic honeycomb layers.","Inorganic chemistry","2015","54","7","3643","3653","10.1021/acs.inorgchem.5b00261","","","0.71073","MoKα","","0.1135","0.0883","","","0.2114","0.2237","","","","","","1.007","","","","has coordinates","231610","2020-10-21","18:00:00",""
"4346086","13.6349","0.001","14.148","0.002","30.122","0.005","85.21","0.013","88.033","0.01","63.419","0.008","5178.4","1.2","150","2","150","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","1","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Complete series of chiral paramagnetic molecular conductors based on tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) and Chloranilate-bridged heterobimetallic honeycomb layers.","Inorganic chemistry","2015","54","7","3643","3653","10.1021/acs.inorgchem.5b00261","","","0.71073","MoKα","","0.0925","0.0745","","","0.1916","0.2026","","","","","","1.026","","","","has coordinates","231610","2020-10-21","18:00:00",""
"4346186","16.2905","0.0008","21.8084","0.0011","50.315","0.002","91.494","0.002","96.362","0.002","90.947","0.002","17755.9","1.4","90","2","90","2","","","","","","","","5","P 1","P 1","1","tetrakis(m-phenylenebis(dihexanoylmethanato))- (mu-C70fullerene)tetracopper o-dichlorobenzene solvate","","","- C217.5 H205 Cl6.5 Cu4 O16 -","- C217.5 H205 Cl6.5 Cu4 O16 -","- C870 H820 Cl26 Cu16 O64 -","4","4","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54184","CuKα","","0.1579","0.138","","","0.345","0.3738","","","","","","2.67","","","","has coordinates,has disorder","287881","2023-11-30","10:45:55",""
"4346699","10.0004","0.0005","13.5182","0.0006","13.6069","0.0007","103.422","0.002","94.949","0.003","104.926","0.002","1707.87","0.15","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0232","0.0221","","","0.0561","0.057","","","","","","1.031","","","","has coordinates,has disorder","231932","2020-10-21","18:00:00",""
"4346700","9.9816","0.0011","13.5063","0.0015","13.6154","0.0015","103.21","0.008","94.992","0.007","104.815","0.008","1706.8","0.3","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0724","0.0534","","","0.1326","0.1532","","","","","","1.033","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346701","9.9915","0.0011","13.523","0.0014","13.6152","0.0017","103.316","0.01","94.821","0.01","104.847","0.008","1710.3","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.067","0.0502","","","0.1223","0.1369","","","","","","1.029","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346702","10.033","0.003","13.529","0.005","13.644","0.004","103.75","0.03","95.18","0.02","105.5","0.02","1709.9","1","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.116","0.085","","","0.2324","0.2909","","","","","","1.124","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346703","9.9986","0.0007","13.5237","0.0009","13.6298","0.0011","103.233","0.004","94.934","0.004","104.774","0.004","1714.2","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0542","0.0453","","","0.1136","0.1229","","","","","","1.022","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346704","9.9886","0.0012","13.5037","0.0012","13.5899","0.0019","103.37","0.007","94.808","0.007","104.838","0.007","1703.8","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0645","0.0529","","","0.1352","0.15","","","","","","1.035","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346705","9.9987","0.0008","13.5007","0.0009","13.6219","0.0009","103.265","0.005","94.975","0.006","104.86","0.005","1709.1","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0725","0.0556","","","0.14","0.1575","","","","","","1.022","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346706","9.9966","0.0004","13.506","0.0006","13.6147","0.0006","103.303","0.003","95.009","0.003","104.796","0.003","1708.57","0.13","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0562","0.0472","","","0.1119","0.12","","","","","","1.027","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346708","9.9905","0.0005","13.5089","0.001","13.589","0.0012","103.299","0.004","94.963","0.004","104.892","0.003","1704","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0289","0.0265","","","0.0637","0.0657","","","","","","1.039","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346709","9.9965","0.0006","13.5184","0.0009","13.6264","0.0009","103.428","0.004","94.888","0.003","104.87","0.004","1710.4","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0409","0.0377","","","0.0995","0.102","","","","","","1.026","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346710","9.9724","0.0009","13.5235","0.0014","13.5824","0.0015","103.364","0.005","94.848","0.006","104.852","0.005","1702.4","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Mo10 N4 Ni O57 -","- C32 H28 Co2 Mo10 N4 Ni O57 -","- C32 H28 Co2 Mo10 N4 Ni O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0247","0.0238","","","0.0616","0.0623","","","","","","1.031","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346711","10.016","0.002","13.492","0.002","13.691","0.002","104.126","0.01","94.269","0.012","104.85","0.011","1715.7","0.5","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Cu Mo10 N4 O57 -","- C32 H28 Co2 Cu Mo10 N4 O57 -","- C32 H28 Co2 Cu Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0314","0.0287","","","0.0706","0.0726","","","","","","1.027","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346712","9.9857","0.0007","13.5087","0.0008","13.6003","0.0008","103.337","0.003","94.837","0.004","104.866","0.003","1705.16","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Mo10 N4 O57 Zn -","- C32 H28 Co2 Mo10 N4 O57 Zn -","- C32 H28 Co2 Mo10 N4 O57 Zn -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0221","0.0214","","","0.0574","0.0581","","","","","","1.039","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346713","10.0028","0.0002","13.5442","0.0002","13.6499","0.0002","103.434","0.001","94.737","0.001","104.884","0.001","1718.32","0.05","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Cd Co2 Mo10 N4 O57 -","- C32 H28 Cd Co2 Mo10 N4 O57 -","- C32 H28 Cd Co2 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0252","0.0238","","","0.0626","0.0636","","","","","","1.026","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346757","7.5292","0.0009","7.5813","0.0009","18.337","0.002","85.9253","0.0017","85.6604","0.0017","70.044","0.0017","979.9","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","FcCH2COOPc","","","- C45 H50 Cl2 Fe N4 O2 -","- C45 H50 Cl2 Fe N4 O2 -","- C45 H50 Cl2 Fe N4 O2 -","1","1","","Abe, Masaaki; Yamada, Hiroaki; Okawara, Toru; Fujitsuka, Mamoru; Majima, Tetsuro; Hisaeda, Yoshio","Covalently Attached Porphycene-Ferrocene Dyads: Synthesis, Redox-Switched Emission, and Observation of the Charge-Separated State.","Inorganic chemistry","2016","55","1","7","9","10.1021/acs.inorgchem.5b02078","","","0.71073","MoKα","","0.0479","0.0452","","","0.1077","0.1117","","","","","","1.026","","","","has coordinates","231962","2020-10-21","18:00:00",""
"4346890","13.0878","0.0004","17.967","0.0007","31.6685","0.0008","82.813","0.003","88.295","0.002","69.03","0.003","6898","0.4","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C167 H124 Cl4 N18 O3 Zn3 -","- C165 H120 N18 O3 Zn3 -","- C330 H240 N36 O6 Zn6 -","2","2","","Han, Zhen; Li, Li; Shi, Bo; Fang, Xianshi; Wang, Yong; Hu, Chuanjiang","Crystallographic and Spectroscopic Studies of a Host-Guest Complex Consisting of a Novel Zinc Trisporphyrinate and a Chiral Monoamine.","Inorganic chemistry","2016","55","8","3730","3737","10.1021/acs.inorgchem.5b02295","","","1.54178","CuKα","","0.0856","0.0711","","","0.1846","0.1999","","","","","","1.181","","","","has coordinates,has disorder","232047","2020-10-21","18:00:00",""
"4346918","13.352","0.002","14.784","0.003","19.314","0.004","75.711","0.005","69.782","0.005","65.683","0.005","3235.8","1.1","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O3 P2 Pt S -","- C30 H31 N O6 P2 Pt S -","- C120 H124 N4 O24 P8 Pt4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0357","0.0304","","","0.0767","0.081","","","","","","1.007","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346919","13.0894","0.0002","15.7129","0.0003","19.3044","0.0004","79.51","0.006","70.921","0.005","70.034","0.005","3515.65","0.18","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C120 H124 N4 O36 P8 Pt4 S4 -","- C120 H124 N4 O36 P8 Pt4 S4 -","- C120 H124 N4 O36 P8 Pt4 S4 -","1","1","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0382","0.0324","","","0.0871","0.0908","","","","","","1.057","","","","has coordinates","232065","2020-10-21","18:00:00",""
"4346921","13.375","0.002","14.699","0.003","19.198","0.004","75.569","0.005","70.129","0.005","65.587","0.005","3206.1","1.1","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O6 P2 Pd S -","- C30 H31 N O6 P2 Pd S -","- C120 H124 N4 O24 P8 Pd4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0364","0.0322","","","0.0799","0.0827","","","","","","1.04","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346922","13.1073","0.0008","15.7964","0.0008","19.3997","0.0008","79.292","0.006","71.117","0.005","69.573","0.005","3549.5","0.4","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O9 P2 Pd S -","- C30 H31 N O9 P2 Pd S -","- C120 H124 N4 O36 P8 Pd4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0394","0.0369","","","0.0998","0.1034","","","","","","1.018","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346982","7.917","0.003","9.545","0.004","13.778","0.005","75.536","0.006","74.93","0.005","76.395","0.005","957.2","0.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H33 N6 O Pt S8 -","- C34 H33 N6 O Pt S8 -","- C34 H33 N6 O Pt S8 -","1","1","","Attar, Salahuddin; Espa, Davide; Artizzu, Flavia; Mercuri, M. Laura; Serpe, Angela; Sessini, Elisa; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Deplano, Paola","A Platinum-Dithiolene Monoanionic Salt Exhibiting Multiproperties, Including Room-Temperature Proton-Dependent Solution Luminescence.","Inorganic chemistry","2016","55","11","5118","5126","10.1021/acs.inorgchem.5b02491","","","0.71073","MoKα","","0.062","0.0533","","","0.1351","0.1417","","","","","","1.01","","","","has coordinates","232089","2020-10-21","18:00:00",""
"4347008","17.0857","0.0012","17.1852","0.0012","17.312","0.002","105.562","0.004","107.131","0.004","112.836","0.003","4032.4","0.7","120","2","120","2","","","","","","","","9","P 1","P 1","1","","","","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","1","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0554","0.0437","","","0.1111","0.1168","","","","","","1.009","","","","has coordinates,has disorder","232108","2020-10-21","18:00:00",""
"4347295","9.622","0.003","12.063","0.004","12.924","0.005","81.487","0.004","70.954","0.004","77.595","0.004","1379.9","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H14 Br2 N4 O Pt -","- C8 H14 Br2 N4 O Pt -","- C32 H56 Br8 N16 O4 Pt4 -","4","4","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0256","0.0234","","","0.0604","0.0611","","","","","","1.035","","","","has coordinates","232250","2020-10-21","18:00:00",""
"4347525","16.359","0.002","16.504","0.002","32.228","0.006","79.278","0.012","77.959","0.013","62.972","0.011","7539","2","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C61.5 H73 B2 Co2 N7 O13 -","- C61.5 H71 B2 Co2 N7 O13 -","- C246 H284 B8 Co8 N28 O52 -","4","4","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1252","0.0953","","","0.2407","0.2661","","","","","","1.037","","","","has coordinates","232366","2020-10-21","18:00:00",""
"4347611","9.391","0.004","9.421","0.004","18.77","0.009","80.467","0.006","88.41","0.007","63.66","0.006","1465.7","1.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","bis{(S)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C76 H64 N4 O4 Zn2 -","2","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0712","0.0558","","","0.1253","0.1332","","","","","","1.03","","","","has coordinates","232405","2020-10-21","18:00:00",""
"4347612","9.4341","0.0016","9.4537","0.0016","18.85","0.003","88.25","0.01","80.07","0.01","63.951","0.009","1485.8","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C76 H64 N4 O4 Zn2 -","2","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0606","0.0431","","","0.0813","0.089","","","","","","1.011","","","","has coordinates","232406","2020-10-21","18:00:00",""
"4347645","9.7677","0.0005","10.613","0.0006","15.3827","0.0008","80.106","0.002","84.709","0.002","65.812","0.002","1432.58","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H31 Cl2 Cu N5 O10 -","- C25 H31 Cl2 Cu N5 O10 -","- C50 H62 Cl4 Cu2 N10 O20 -","2","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0459","0.0372","","","0.0835","0.0873","","","","","","1.093","","","","has coordinates","232419","2020-10-21","18:00:00",""
"4348048","11.3994","0.0011","11.7624","0.0011","12.2529","0.0012","92.416","0.002","107.396","0.002","104.977","0.002","1501.8","0.3","90","2","90","2","","","","","","","","8","P 1","P 1","1","","","","- C28.99 H30.5 Cu F3 N2.5 O4 P S -","- C28.9885 H30.5 Cu F3 N2.5 O4 P S -","- C57.977 H61 Cu2 F6 N5 O8 P2 S2 -","2","2","","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","","0.0526","0.04","","","0.0915","0.0977","","","","","","1.043","","","","has coordinates,has disorder","232699","2020-10-21","18:00:00",""
"4348134","13.2873","0.0007","15.6841","0.0008","23.4478","0.0013","89.565","0.001","74.32","0.001","83.072","0.001","4668.7","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H239 La N24 O97 Pd12 S24 -","- C72 H141 La N24 O48 Pd12 S24 -","- C72 H141 La N24 O48 Pd12 S24 -","1","1","","Lin, Zheng-Guo; Fan, Lin-Yuan; Kondinski, Aleksandar; Vankova, Nina; Heine, Thomas; Chen, Bao-Kuan; Haider, Ali; Wang, Bo; Kortz, Ulrich; Hu, Chang-Wen","Chiral Dodecanuclear Palladium(II) Thio Cluster: Synthesis, Structure, and Formation Mechanism Explored by ESI-MS and DFT Calculations.","Inorganic chemistry","2016","55","16","7811","7813","10.1021/acs.inorgchem.6b01005","","","0.71073","MoKα","","0.0919","0.0835","","","0.2474","0.2671","","","","","","1.073","","","","has coordinates","232783","2020-10-21","18:00:00",""
"4348167","8.6682","0.0002","14.7652","0.0003","18.3708","0.0004","71.785","0.002","88.7145","0.0019","76.039","0.002","2163.86","0.09","200","","200","","","","","","","","","4","P 1","P 1","1","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","4","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","x-ray","1.54184","CuKα","","0.0588","0.0501","","","0.1404","0.1493","","","","","","1.029","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348171","10.1351","0.0002","10.5175","0.0002","11.9667","0.0002","81.1495","0.0017","67.742","0.002","62.348","0.002","1045.34","0.04","199.95","0.1","199.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 Cu N4 O2 -","- C24 H24 Cu N4 O2 -","- C48 H48 Cu2 N8 O4 -","2","2","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.0275","0.0274","","","0.0739","0.0742","","","","","","1.053","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348816","13.8","0.003","15.4","0.003","18.5","0.004","79","0.03","80","0.03","74","0.03","3679.2","1.5","130","0.1","130","0.1","","","","","","","","8","P 1","P 1","1","","","","- C72 H63.11 B Cl Cu3 F4 N3 P6 -","- C72 H63.125 B Cl Cu3 F4 N3 P6 -","- C144 H126.25 B2 Cl2 Cu6 F8 N6 P12 -","2","2","","Li, Jiaye; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of Bis(diphenylphosphino)amino Copper Hydride Nanoclusters [Cu<sub>3</sub>(X)(μ<sub>3</sub>-H)((PPh<sub>2</sub>)<sub>2</sub>NH)<sub>3</sub>](BF<sub>4</sub>), Where X = μ<sub>2</sub>-Cl and μ<sub>3</sub>-BH<sub>4</sub>.","Inorganic chemistry","2016","55","19","9858","9868","10.1021/acs.inorgchem.6b01696","","x-ray","0.71073","MoKα","","0.0792","0.0666","","","0.1853","0.202","","","","","","1.111","","","","has coordinates,has disorder","233393","2020-10-21","18:00:00",""
"4348830","11.119","0.003","11.26","0.003","12.801","0.004","87.41","0.006","89.416","0.005","72.021","0.005","1522.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","1","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","","0.71073","MoKα","","0.0291","0.0215","","","0.0414","0.0431","","","","","","1.303","","","","has coordinates,has disorder","233413","2020-10-21","18:00:00",""
"4349207","13.9136","0.0009","14.8769","0.0009","15.0369","0.0009","78.416","0.003","65.9278","0.0014","63.373","0.005","2539.8","0.3","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 Au2 N2 O -","- C29 H23.75 Au2 N2 O -","- C116 H95 Au8 N8 O4 -","4","4","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.099","0.0843","","","0.2274","0.251","","","","","","1.1","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4349340","13.5777","0.0009","14.3089","0.001","22.2385","0.0015","84.186","0.002","72.658","0.001","63.291","0.001","3681.4","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H92 Mg2 N10 O -","- C82 H92 Mg2 N10 O -","- C164 H184 Mg4 N20 O2 -","2","2","","Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.","Inorganic chemistry","2016","55","24","13014","13026","10.1021/acs.inorgchem.6b02544","","","0.71073","MoKα","","0.122","0.0705","","","0.1431","0.1654","","","","","","1.02","","","","has coordinates,has disorder","233872","2020-10-21","18:00:00",""
"4349484","10.013","0.007","10.253","0.007","10.564","0.006","65.31","0.06","63.75","0.05","89.72","0.07","862","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(Ph3PO)2MnBr2","","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","1","1","","Tang, Yuan-Yuan; Wang, Zhong-Xia; Li, Peng-Fei; You, Yu-Meng; Stroppa, Alessandro; Xiong, Ren-Gen","Brilliant triboluminescence in a potential organic‒inorganic hybrid ferroelectric: (Ph3PO)2MnBr2","Inorganic Chemistry Frontiers","2017","4","1","154","","10.1039/C6QI00148C","","","0.71073","MoKα","","0.0731","0.0403","","","0.0922","0.1483","","","","","","0.863","","","","has coordinates","234813","2020-10-21","18:00:00",""
"4349589","10.9339","0.0011","11.3695","0.0012","14.208","0.002","107.602","0.002","96.818","0.002","109.876","0.002","1534.1","0.3","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C33 H39 K O8 -","- C33 H39 K O8 -","- C66 H78 K2 O16 -","2","2","","Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo","Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates","Inorganic Chemistry Frontiers","2017","4","2","261","","10.1039/C6QI00449K","","","0.71073","MoKα","","0.0683","0.0492","","","0.1196","0.1447","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4349623","9.5471","0.0011","11.7577","0.0012","14.0097","0.0015","69.421","0.003","87.4","0.004","67.391","0.003","1351.8","0.3","298","2","298","2","","","","","","","Precursor of the metabolic pathways","5","P 1","P 1","1","Cd-glutamate-bpee2","Compound2","","- C46 H44 Cd3 N10 O17 -","- C46 H44 Cd3 N10 O17 -","- C46 H44 Cd3 N10 O17 -","1","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D homochiral metal‒organic frameworks (MOFs) of Cd(ii): selective CO2adsorption and catalytic properties for the Knoevenagel and Henry reaction","Inorganic Chemistry Frontiers","2017","4","2","348","","10.1039/C6QI00506C","","","0.71073","MoKα","","0.0437","0.0371","","","0.0898","0.0916","","","","","","1.027","","","","has coordinates","234922","2020-10-21","18:00:00",""
"4349624","10.0425","0.0005","10.7819","0.0005","15.1215","0.0007","74.98","0.002","77.163","0.002","64.873","0.002","1419.91","0.12","298","2","298","2","","","","","","","Amino acid","5","P 1","P 1","1","Cd-glutamate-bpee","Cd-MOF","","- C46 H46 Cd2 N8 O9 -","- C46 H46 Cd2 N8 O9 -","- C46 H46 Cd2 N8 O9 -","1","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D homochiral metal‒organic frameworks (MOFs) of Cd(ii): selective CO2adsorption and catalytic properties for the Knoevenagel and Henry reaction","Inorganic Chemistry Frontiers","2017","4","2","348","","10.1039/C6QI00506C","","","0.71073","MoKα","","0.0477","0.0354","","","0.0734","0.0763","","","","","","1.014","","","","has coordinates","234922","2020-10-21","18:00:00",""
"4349861","11.7403","0.0007","13.8267","0.0008","13.9874","0.0009","103.008","0.005","92.037","0.005","108.773","0.005","2080.2","0.2","","","","","","","","","","","","5","P 1","P 1","1","","","","- C80 H66 Cl12 O14 Y2 -","- C40 H33 Cl6 O7 Y -","- C40 H33 Cl6 O7 Y -","1","1","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","236897","2020-10-21","18:00:00",""
"4350188","10.7908","0.0007","12.5144","0.0008","16.8103","0.0011","111.481","0.001","105.95","0.001","93.849","0.001","1995","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C42 H30 Ag F6 N4 O2 Sb -","- C42 H30 Ag F6 N4 O2 Sb -","- C84 H60 Ag2 F12 N8 O4 Sb2 -","2","2","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.0589","0.0429","","","0.0998","0.1085","","","","","","1.02","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350432","11.1367","0.0015","15.47","0.002","17.573","0.003","83.056","0.002","88.764","0.002","87.531","0.002","3002.2","0.8","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H128 Cl8 N12 O32 Zn2 -","- C102 H122 Cl8 N12 O32 Zn2 -","- C102 H122 Cl8 N12 O32 Zn2 -","1","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","","","0.1096","","","0.274","0.3023","","","","","","1.042","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350433","11.151","0.002","15.498","0.002","17.514","0.004","82.93","0.02","89.19","0.03","87.64","0.03","3001.1","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C103 H123 Cd2 Cl8 N13 O29 -","- C103 H123 Cd2 Cl8 N13 O29 -","- C103 H123 Cd2 Cl8 N13 O29 -","1","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","","","0.0704","","","0.1856","0.2036","","","","","","1.051","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350435","10.4986","0.0015","20.587","0.003","21.993","0.003","98.545","0.002","92.312","0.003","100.165","0.002","4616.1","1.1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C164 H159 Cd2 Cl12 N13 O34 -","- C164 H134 Cd2 Cl12 N13 O34 -","- C164 H134 Cd2 Cl12 N13 O34 -","1","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","","","0.093","","","0.2151","0.2322","","","","","","1.087","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350804","9.0268","0.0006","9.2809","0.0006","10.3543","0.0006","106.013","0.001","104.896","0.001","111.633","0.001","709.84","0.08","294","2","294","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H23 Cl4 Co2 N3 O S2 -","- C26 H23 Cl4 Co2 N3 O S2 -","- C26 H23 Cl4 Co2 N3 O S2 -","1","1","","Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei","Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes","Inorganic Chemistry Communications","2015","54","","21","24","10.1016/j.inoche.2015.01.029","","","0.71073","MoKα","","0.0368","0.0347","","","0.0917","0.0931","","","","","","1.004","","","","has coordinates,has disorder","272313","2022-01-28","08:02:28",""
"4350815","10.9224","0.0007","11.6539","0.0007","12.4","0.0008","102.481","0.005","102.285","0.006","117.618","0.006","1273","0.19","123","2","123","2","","","","","","","","8","P 1","P 1","1","","","","- C52 H38 F6 N O9 P2 S2 Tb -","- C52 H38 F6 N O9 P2 S2 Tb -","- C52 H38 F6 N O9 P2 S2 Tb -","1","1","","Teotonio, Ercules E.S.; Silva, Francisco A.; Pereira, Dariston K.S.; Santo, Lidiaine M.; Brito, Hermi F.; Faustino, Wagner M.; Felinto, Maria Cláudia F.C.; Santos, Regina Helena; Moreno-Fuquen, Rodolfo; Kennedy, Alan R.; Gilmore, Denise","Luminescence enhancement of the Tb(III) ion with the thenoyltrifluoroacetonate ligand acting as an efficient sensitizer","Inorganic Chemistry Communications","2010","13","12","1391","1395","10.1016/j.inoche.2010.07.043","","","0.71073","MoKα","","0.0567","0.0421","","","0.0676","0.0709","","","","","","0.888","","","","has coordinates,has disorder","272319","2022-01-28","09:18:51",""
"4500074","13.458","0.002","17.788","0.002","20.721","0.003","81.076","0.008","74.96","0.008","70.755","0.008","4509.6","1.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C150 H178 N40 O17 S14 -","- C144 H88 N40 O13 S11 -","- C144 H88 N40 O13 S11 -","1","1","","Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]","Cryst. Growth & Design","2005","5","","1227","1235","10.1021/cg049575o","","","1.54178","CuKα","","0.104","0.0957","","","0.2236","0.2289","","","","","","1.107","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500124","7.4694","0.0004","8.0532","0.0004","13.7314","0.0008","81.205","0.002","78.66","0.002","90.01","0.003","799.94","0.08","295","","295","","","","","","","","","4","P 1","P 1","1","","8-aminoquinolinium picrate","","- C15 H11 N5 O7 -","- C15 H11 N5 O7 -","- C30 H22 N10 O14 -","2","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0917","0.0886","","","0.2379","0.2427","","","","","","1.039","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500511","7.9024","0.0016","9.3784","0.0019","9.7093","0.0019","61.65","0.03","71.6","0.03","80.38","0.03","600.8","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H17 Na O19 Zn3 -","- C19 H17 Na O19 Zn3 -","- C19 H17 Na O19 Zn3 -","1","1","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.035","0.0308","","","0.0798","0.0823","","","","","","1.002","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500561","8.6671","0.0006","11.678","0.001","19.4868","0.0017","81.592","0.004","80.848","0.004","68.625","0.004","1804.9","0.3","230","2","230","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 N6 -","- C26 H32 N6 -","- C78 H96 N18 -","3","3","","Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José","Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation","Crystal Growth & Design","2011","11","5","1766","","10.1021/cg101709q","","","0.71073","MoKα","","0.1466","0.0713","","","0.167","0.2226","","","","","","0.962","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500630","7.8391","0.0005","9.6967","0.0005","11.2005","0.0007","103.35","0.005","100.24","0.005","111.083","0.005","740.34","0.09","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0693","0.0512","","","0.1126","0.1176","","","","","","0.955","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500874","6.578","0.003","12.104","0.005","16.729","0.007","97.92","0.15","94.76","0.16","91.32","0.16","1313.9","1.1","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C46 H86 N6 O12.5 -","- C46 H86 N6 O12.5 -","- C46 H86 N6 O12.5 -","1","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.1259","0.0658","","","0.138","0.1581","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500894","7.3067","0.0004","11.1954","0.0006","11.4438","0.0006","72.426","0.004","73.791","0.004","83.348","0.004","856.45","0.08","293","2","293","2","","","","","","","","6","P 1","P 1","1","catena-[(mu2-4,4^'^-bipyridyl)-(tri-aqua)-(sulfato-zinc(II))] [(mu2-4,4^'^-bipyridyl)-(di-aqua)-(di-sulfato-zinc(II))] [hexa-aqua-zinc(II)]","catena-[(mu2-4,4^'^-bipyridyl)-(tri-aqua)-(sulfato-zinc(II))] [(mu2-4,4^'^-bipyridyl)-(di-aqua)-(di-sulfato-zinc(II))] [hexa-aqua-zinc(II)]","","- C20 H38 N4 O23 S3 Zn3 -","- C20 H38 N4 O23 S3 Zn3 -","- C20 H38 N4 O23 S3 Zn3 -","1","1","","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","","0.0271","0.0258","","","0.0613","0.0628","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4501804","6.6656","0.0004","11.2474","0.0008","12.374","0.0007","89.139","0.004","85.23","0.004","87.099","0.004","923.23","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 N O8 -","- C22 H19 N O8 -","- C44 H38 N2 O16 -","2","2","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0889","0.0559","","","0.138","0.158","","","","","","1.017","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501816","7.278","0.002","8.55","0.002","15.15","0.004","84.115","0.003","81.617","0.004","70.489","0.003","877.6","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H32 N6 O13 S4 -","- C32 H32 N6 O13 S4 -","- C32 H32 N6 O13 S4 -","1","1","","Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.","Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study","Crystal Growth & Design","2010","10","10","4401","","10.1021/cg100514g","","","0.71073","MoKα","","0.1145","0.0663","","","0.1138","0.1309","","","","","","0.986","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501961","10.901","0.003","13.091","0.003","13.635","0.002","63.912","0.007","66.895","0.007","81.286","0.009","1606.8","0.6","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H34 Eu2 F24 N4 O14 -","- C54 H28 Eu2 F24 N4 O14 -","- C54 H28 Eu2 F24 N4 O14 -","1","1","","Xu, Hai-Bing; Li, Jia; Zhang, Li-Yi; Huang, Xin; Li, Bing; Chen, Zhong-Ning","Structures and Photophysical Properties of Homo- and Heteronuclear Lanthanide(III) Complexes with Bridging 2-Methyl-8-hydroxylquinoline (HMq) in the μ-Phenol Mode","Crystal Growth & Design","2010","10","9","4101","","10.1021/cg100778w","","","0.71073","MoKα","","0.045","0.0439","","","0.1152","0.1189","","","","","","1.128","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4502127","7.2403","0.0006","8.5435","0.0008","8.9865","0.0007","68.722","0.006","79.451","0.006","81.852","0.007","507.51","0.08","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H26 Cl N5 O7 -","- C14 H26 Cl N5 O7 -","- C14 H26 Cl N5 O7 -","1","1","","Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.","Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand","Crystal Growth & Design","2010","10","11","4987","","10.1021/cg101082t","","","0.71073","MoKα","","0.0837","0.0572","","","0.1484","0.1689","","","","","","1.049","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502151","15.42","0.005","15.842","0.003","17.819","0.003","112.763","0.002","112.203","0.003","95.425","0.003","3565.4","1.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C99 H72 Cd6 O42 -","- C99 H72 Cd6 O42 -","- C99 H72 Cd6 O42 -","1","1","","Tian, Jian; Motkuri, Radha Kishan; Thallapally, Praveen K.; McGrail, B. Peter","Metal−Organic Framework Isomers with Diamondoid Networks Constructed of a Semirigid Tetrahedral Linker","Crystal Growth & Design","2010","10","12","5327","","10.1021/cg101222w","","","0.71073","MoKα","","0.0496","0.0452","","","0.1114","0.1144","","","","","","0.994","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502195","10.238","0.002","12.877","0.003","13.513","0.003","76.38","0.03","88.99","0.03","89.68","0.03","1731.1","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C70 H68 Cd2 Fe2 N8 O14 -","- C70 H68 Cd2 Fe2 N8 O14 -","- C70 H68 Cd2 Fe2 N8 O14 -","1","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.0672","0.0585","","","0.1379","0.1521","","","","","","1.094","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502267","5.1881","0.0012","14.875","0.003","16.853","0.004","87.477","0.003","87.054","0.003","84.96","0.003","1292.8","0.5","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C25.5 H31 N3 O6.5 -","- C25.5 H31 N3 O6.5 -","- C51 H62 N6 O13 -","2","2","","Angelici, Gaetano; Castellucci, Nicola; Contaldi, Simone; Falini, Giuseppe; Hofmann, Hans-Jörg; Monari, Magda; Tomasini, Claudia","A Network of Small Molecules Connected by Cross-Linked NH Bonds","Crystal Growth & Design","2010","10","1","244","","10.1021/cg900874f","","","0.71073","MoKα","","0.0539","0.0465","","","0.1193","0.1256","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502268","5.2073","0.0004","15.1814","0.0012","16.731","0.0013","87.588","0.006","85.831","0.006","85.803","0.006","1314.72","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H32 N3 O6.5 -","- C26 H32 N3 O6.5 -","- C52 H64 N6 O13 -","2","2","","Angelici, Gaetano; Castellucci, Nicola; Contaldi, Simone; Falini, Giuseppe; Hofmann, Hans-Jörg; Monari, Magda; Tomasini, Claudia","A Network of Small Molecules Connected by Cross-Linked NH Bonds","Crystal Growth & Design","2010","10","1","244","","10.1021/cg900874f","","","0.71073","MoKα","","0.1985","0.0923","","","0.1858","0.2282","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502393","12.788","0.003","13.069","0.003","25.533","0.006","80.684","0.009","75.203","0.008","80.957","0.009","4041.2","1.6","103.1","","","","","","","","","","","8","P 1","P 1","1","(S)-1-(p-iodophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl I N O2 P S -","- C16.125 H20.25 Cl I N O1.875 P S -","- C129 H162 Cl8 I8 N8 O15 P8 S8 -","8","8","","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","","","0.0538","","","","0.0841","","","","","","1.309","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502463","5.2677","0.0008","12.8473","0.0019","13.2353","0.0019","111.866","0.002","95.348","0.002","91.591","0.002","825.8","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H39 N3 O8 -","- C35 H39 N3 O8 -","- C35 H39 N3 O8 -","1","1","","Angelici, Gaetano; Castellucci, Nicola; Falini, Giuseppe; Huster, Daniel; Monari, Magda; Tomasini, Claudia","Pseudopeptides Designed to Form Supramolecular Helixes: The Role of the Stereogenic Centers","Crystal Growth & Design","2010","10","2","923","","10.1021/cg9012558","","","0.71073","MoKα","","0.0637","0.0543","","","0.1398","0.1475","","","","","","1.048","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502627","9.6044","0.001","10.0619","0.001","17.0355","0.0017","95.742","0.002","95.857","0.002","96.396","0.002","1617.1","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C37.99 H44.98 N O4 -","- C38.002 H45.0055 N1.0005 O4 -","- C76.004 H90.011 N2.001 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0483","0.0466","","","0.1156","0.1172","","","","","","1.078","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502628","9.6099","0.0019","10.045","0.002","17.095","0.003","95.83","0.03","95.94","0.03","96.29","0.03","1620.8","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.081","0.0667","","","0.1763","0.1907","","","","","","1.033","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502629","9.6052","0.0019","10.016","0.002","17.15","0.003","96","0.03","96.1","0.03","96.24","0.03","1619.6","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45.01 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0819","0.0539","","","0.1133","0.1284","","","","","","1.096","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502630","9.5967","0.0015","10.0115","0.0016","17.121","0.003","95.915","0.003","95.964","0.003","96.158","0.004","1615.7","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38.01 H45.01 N O4 -","- C38.004 H45.011 N1.001 O4 -","- C76.008 H90.022 N2.002 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0384","0.0373","","","0.0972","0.0996","","","","","","1.109","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502631","9.5948","0.0019","10.023","0.002","17.167","0.003","96.05","0.03","96.03","0.03","96.08","0.03","1621.2","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0771","0.0527","","","0.1087","0.1224","","","","","","1.083","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502632","9.5998","0.0019","9.999","0.002","17.209","0.003","96.1","0.03","96.06","0.03","95.99","0.03","1622.1","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H45 N O4 -","- C38 H45 N O4 -","- C76 H90 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0916","0.0543","","","0.0971","0.1145","","","","","","1.084","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502634","9.455","0.0019","9.5932","0.0019","17.305","0.004","79.77","0.03","82.42","0.03","78.96","0.03","1508.3","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0763","0.0544","","","0.1292","0.1416","","","","","","1.069","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502635","9.4566","0.0019","9.5969","0.0019","17.291","0.004","79.52","0.03","82.37","0.03","78.99","0.03","1506.8","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0508","0.0484","","","0.1312","0.1339","","","","","","1.036","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502636","9.4566","0.0019","9.5969","0.0019","17.291","0.004","79.52","0.03","82.37","0.03","78.99","0.03","1506.8","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0789","0.0559","","","0.1275","0.1414","","","","","","1.028","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502637","9.456","0.0012","9.5766","0.0012","17.197","0.002","79.13","0.003","82.298","0.003","79.182","0.003","1494.3","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0503","0.0462","","","0.1146","0.118","","","","","","1.043","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502638","9.4717","0.0019","9.5866","0.0019","17.224","0.003","79.03","0.03","82.24","0.03","79.19","0.03","1500.1","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0897","0.0552","","","0.1211","0.1406","","","","","","1.028","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502639","9.4826","0.0019","9.5895","0.0019","17.251","0.004","79.1","0.03","82.23","0.03","79.17","0.03","1504.9","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0904","0.0523","","","0.1135","0.131","","","","","","1.028","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502640","9.4671","0.0019","9.5797","0.0019","17.187","0.003","78.99","0.03","82.17","0.03","79.16","0.03","1494.6","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35.004 H41.011 N1.001 O4 -","- C70.008 H82.022 N2.002 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0899","0.0521","","","0.0981","0.1131","","","","","","1.03","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502641","9.4688","0.0019","9.5958","0.0019","17.236","0.003","78.78","0.03","82.12","0.03","79.09","0.03","1500.2","0.5","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C70 H82 N2 O8 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0507","0.0382","","","0.0816","0.0881","","","","","","1.063","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4503057","8.9508","0.0018","9.0892","0.0018","19.802","0.004","95.64","0.03","97.68","0.03","118.25","0.03","1382.1","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H22 N2 O13 Zn3 -","- C30 H22 N2 O13 Zn3 -","- C30 H22 N2 O13 Zn3 -","1","1","","Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun","Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties","Crystal Growth & Design","2008","8","2","427","","10.1021/cg0701022","","","0.71073","MoKα","","0.0795","0.0708","","","0.23","0.2423","","","","","","1.003","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503138","5.03","0.003","7.593","0.005","19.374","0.012","81.026","0.01","85.044","0.009","74.247","0.009","702.7","0.8","120","2","120","2","","","","","","","","3","P 1","P 1","1","alpha/beta lactose","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","2","","Guiry, Kevin P.; Coles, Simon J.; Moynihan, Humphrey A.; Lawrence, Simon E.","Effect of 1-Deoxy-d-lactose upon the Crystallization ofd-Lactose","Crystal Growth & Design","2008","8","11","3927","","10.1021/cg070598n","","","0.6911","synchrotron","","0.078","0.0746","","","0.2036","0.2067","","","","","","1.046","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503169","8.8575","0.001","9.0761","0.0011","9.9599","0.0012","85.761","0.002","81.076","0.002","71.338","0.002","749.16","0.15","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H17 N O9 Zn -","- C11 H17 N O9 Zn -","- C22 H34 N2 O18 Zn2 -","2","2","","Lee, Ho Yong; Park, Jaejoon; Lah, Myoung Soo; Hong, Jong-In","One-Dimensional Double Helical Structure and 4-Fold Type [2 + 2] Interpenetration of Diamondoid Networks with Helical Fashion","Crystal Growth & Design","2008","8","2","587","","10.1021/cg7007232","","","0.71073","MoKα","","0.0283","0.0273","","","0.0742","0.0746","","","","","","1.125","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503547","7.9925","0.0005","9.3928","0.0006","9.4723","0.0006","69.789","0.001","84.958","0.001","69.425","0.001","624.3","0.07","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H13 N3 O17 Th -","- C21 H13 N3 O17 Th -","- C21 H13 N3 O17 Th -","1","1","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0226","0.0226","","","0.0458","0.0458","","","","","","0.861","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503600","5.2868","0.0001","9.0544","0.0003","11.0476","0.0004","80.7188","0.0012","82.7611","0.0013","79.9327","0.0013","511.27","0.03","90","0.2","90","0.2","","","","","","","","4","P 1","P 1","1","","2-(Phenylamino)nicotinic acid","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C24 H20 N4 O4 -","2","2","","Long, Sihui; Parkin, Sean; Siegler, Maxime A.; Cammers, Arthur; Li, Tonglei","Polymorphism and Phase Behaviors of 2-(Phenylamino)nicotinic Acid","Crystal Growth & Design","2008","8","11","4006","","10.1021/cg800123z","","","0.71073","MoKα","","0.0906","0.0551","","","0.1175","0.1335","","","","","","1.041","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503873","14.9086","0.0001","14.9083","0.0001","22.6784","0.0002","95.245","0.001","90.116","0.001","119.896","0.001","4344.89","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H2 Br N3 O6 -","- C6 H2 Br N3 O6 -","- C108 H36 Br18 N54 O108 -","18","18","","Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.","Polymorphs of Picryl Bromide","Crystal Growth & Design","2008","8","1","57","","10.1021/cg700727n","","","1.54178","CuKα","","0.03","0.0284","","","0.0758","0.0771","","","","","","1.019","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503915","5.9183","0.0015","7.1869","0.0016","14.295","0.003","85.13","0.019","78.03","0.02","65.8","0.02","542.5","0.2","120","2","","","","","","","","","","4","P 1","P 1","1","α~1~-Salicylideneaniline","2-(Phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","2","","Arod, Frédéric; Pattison, Philip; Schenk, Kurt J.; Chapuis, Gervais","Polymorphism inN-Salicylideneaniline Reconsidered","Crystal Growth & Design","2007","7","9","1679","","10.1021/cg060389n","","x-ray","0.7256","synchrotron","","0.1245","0.0607","","0.0714","0.0634","0.0634","","","","","","1.3627","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503978","9.8724","0.0018","10.2111","0.0011","11.5477","0.0012","111.007","0.008","93.701","0.012","93.778","0.01","1079.5","0.3","295","2","295","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H22 Ag B F4 N5 O2.5 -","- C18 H21 Ag B F4 N5 O2.5 -","- C36 H42 Ag2 B2 F8 N10 O5 -","2","2","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.0639","0.0421","","","0.075","0.0846","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503979","9.8733","0.0019","10.3078","0.0018","11.5645","0.0014","111.169","0.01","93.351","0.013","93.971","0.013","1090.5","0.3","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H21 Ag Cl N5 O6 -","- C18 H21 Ag Cl N5 O6 -","- C36 H42 Ag2 Cl2 N10 O12 -","2","2","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.0473","0.037","","","0.1057","0.1158","","","","","","1.049","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504174","10.3691","0.0005","10.4155","0.0005","11.0993","0.0005","64.144","0.001","71.293","0.001","63.249","0.001","951.65","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","1","1","","Kang, Sung Ok; Powell, Douglas; Day, Victor W.; Bowman-James, Kristin","Crystallized Water: Internal and External Ice Fragments in Polycyclic Hosts","Crystal Growth & Design","2007","7","4","606","","10.1021/cg0608817","","","0.71073","MoKα","","0.0446","0.0433","","","0.1125","0.1136","","","","","","1.046","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504270","10.494","0.0011","10.726","0.0012","13.95","0.0015","82.294","0.002","69.289","0.002","72.665","0.003","1401.3","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H58 Br2 N18 O3 Zn2 -","- C54 H58 Br2 N18 O3 Zn2 -","- C54 H58 Br2 N18 O3 Zn2 -","1","1","","Ye, Qiong; Song, Yu-Mei; Fu, Da-Wei; Wang, Guo-Xi; Xiong, Ren-Gen; Chan, Philip Wai Hong; Huang, Songping D.","Deuteration Effect of Ferroelectricity and Permittivity on Homochiral Zinc Coordination Compound","Crystal Growth & Design","2007","7","9","1568","","10.1021/cg070190q","","","0.71073","MoKα","","0.0766","0.0648","","","0.1395","0.1424","","","","","","1.071","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504271","10.5121","0.0009","10.7994","0.0009","13.9968","0.0012","82.225","0.002","69.143","0.001","72.457","0.001","1415.1","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H56 Br2 D2 N18 O3 Zn2 -","- C54 H56 Br2 D2 N18 O3 Zn2 -","- C54 H56 Br2 D2 N18 O3 Zn2 -","1","1","","Ye, Qiong; Song, Yu-Mei; Fu, Da-Wei; Wang, Guo-Xi; Xiong, Ren-Gen; Chan, Philip Wai Hong; Huang, Songping D.","Deuteration Effect of Ferroelectricity and Permittivity on Homochiral Zinc Coordination Compound","Crystal Growth & Design","2007","7","9","1568","1570","10.1021/cg070190q","","","0.71073","MoKα","","0.0748","0.0568","","","0.1142","0.1176","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504730","13.6449","0.0001","15.4157","0.0001","35.635","0.0004","84.673","0.001","89.82","0.001","68.82","0.001","6955.42","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","pentaaquobis(4,4-bipyridine)ethanolsamarium(III) hexaaquo-(mono-protonated-4-4'-bipyridine)ethanolsamarium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C178 H341 B144 Co8 N28 O23 Sm2 -","- C178 H299 B144 Co8 N28 O23 Sm2 -","- C178 H299 B144 Co8 N28 O23 Sm2 -","1","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1562","0.1414","","","0.3684","0.3832","","","","","","0.994","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504831","4.702","0.004","5.642","0.005","29.92","0.03","84.779","0.018","85.697","0.018","77.885","0.016","771.6","1.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid ditetradecyl ester","","","- C28 H59 O4 P -","- C28 H59 O4 P -","- C28 H59 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.1619","0.1433","","","0.3556","0.3737","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504832","4.717","0.003","5.602","0.003","33.609","0.019","85.242","0.012","86.283","0.011","77.441","0.01","862.9","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid dihexadecyl ester","","","- C32 H67 O4 P -","- C32 H67 O4 P -","- C32 H67 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.0784","0.0693","","","0.1984","0.2029","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505061","10.781","0.002","10.885","0.002","12.781","0.003","96.91","0.03","110.33","0.03","103.73","0.03","1332","0.6","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H27 Cu3 Mo11 N6 O39 P -","- C30 H26 Cu3 Mo11 N6 O39 P -","- C30 H26 Cu3 Mo11 N6 O39 P -","1","1","","Lu, Ying; Xu, Yan; Wang, Enbo; Lü, Jian; Hu, Changwen; Xu, Lin","Novel Two-Dimensional Network Constructed from Polyoxomolybdate Chains Linked through Copper−Organonitrogen Coordination Polymer Chains: Hydrothermal Synthesis and Structure of [H2bpy][Cu(4,4‘-bpy)]2[HPCuMo11O39]","Crystal Growth & Design","2005","5","1","257","","10.1021/cg0498960","","","0.71073","MoKα","","0.0643","0.058","","","0.1606","0.1714","","","","","","1.077","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505256","5.0086","0.0003","5.0672","0.0003","26.4429","0.0015","84.845","0.004","88.899","0.004","64.261","0.003","601.93","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H45 N3 O3 -","- C23 H45 N3 O3 -","- C23 H45 N3 O3 -","1","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","1.54178","CuKα","","0.0367","0.0353","","","0.0964","0.0975","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505257","4.8194","0.0009","4.8412","0.001","24.874","0.005","87.396","0.004","84.631","0.004","67.893","0.004","535.29","0.18","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H39 N3 O3 -","- C20 H39 N3 O3 -","- C20 H39 N3 O3 -","1","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","0.71073","MoKα","","0.0953","0.0785","","","0.1762","0.1885","","","","","","1.009","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505302","10.834","0.003","15.354","0.006","7.745","0.004","93.77","0.02","109","0.03","79.99","0.02","1199.6","0.9","213.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C50 H84 O13 -","- C50 H76 O13 -","- C50 H76 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2259","","","","","","1.207","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505303","11.711","0.001","15.748","0.008","10.514","0.001","101.75","0.02","113.468","0.007","105.05","0.02","1611.2","0.9","211.5","","","","","","","","","","","3","P 1","P 1","1","","","","- C70 H100 O13 -","- C70 H93 O13 -","- C70 H93 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2651","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505304","12.3553","0.0008","15.0734","0.0009","10.2995","0.0008","98.553","0.002","99.218","0.003","88.287","0.003","1872.3","0.2","198.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C86 H116 O14 -","- C86 H116 O14 -","- C86 H116 O14 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.0647","","","","0.1686","","","","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505305","12.264","0.002","14.452","0.007","8.178","0.002","90.48","0.03","92.88","0.01","105.19","0.02","1396.7","0.8","288.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C29 H48 O7 -","- C29 H48 O7 -","- C58 H96 O14 -","2","2","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.0515","","","","0.1228","","","","","","1.766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505417","9.9541","0.0014","11.5239","0.0016","14.3145","0.0014","82.333","0.005","74.456","0.004","80.836","0.003","1554.6","0.3","90","1","90","1","","","","","","","","4","P 1","P 1","1","","","","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","1","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.122","0.0532","","","0.0956","0.1149","","","","","","0.839","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505557","11.1662","0.0014","13.8811","0.0018","13.9214","0.0015","96.82","0.05","105.96","0.03","109.44","0.03","1903","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H48 N4 O30 Zn6 -","- C80 H48 N4 O30 Zn6 -","- C80 H48 N4 O30 Zn6 -","1","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0438","0.0416","","","0.1027","0.1073","","","","","","1.024","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505559","7.6718","0.0017","13.923","0.003","19.539","0.005","109.64","0.002","90.472","0.002","105.149","0.002","1886.7","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H52 N8 O32 Zn6 -","- C80 H52 N8 O32 Zn6 -","- C80 H52 N8 O32 Zn6 -","1","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0502","0.0391","","","0.0924","0.0978","","","","","","0.967","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505726","9.396","0.001","10.246","0.001","16.126","0.001","99.329","0.004","101.505","0.005","106.72","0.005","1416.6","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C68 H64 Fe2 N4 O10 -","- C68 H62 Fe2 N4 O10 -","- C68 H62 Fe2 N4 O10 -","1","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0962","0.078","","","0.1816","0.1975","","","","","","1.075","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505744","10.0589","0.0007","13.158","0.0009","15.7738","0.0011","70.127","0.001","76.419","0.001","78.161","0.001","1890.5","0.2","170","2","170","2","","","","","","","","5","P 1","P 1","1","","(S,S)-Cyclo-bis(2-amino-7-cyanoindan-4-methoxy-2-carboxylic acid)","","- C36 H48 N4 O6 S2 -","- C36 H48 N4 O6 S2 -","- C72 H96 N8 O12 S4 -","2","2","","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","","0.1282","0.0683","","","0.1616","0.1996","","","","","","1.013","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505834","7.246","0.002","7.277","0.002","10.92","0.003","98.547","0.015","104.75","0.02","101.442","0.016","533.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(S)-2-(2,4,5-Trichloroanilino)propionic Acid, (R)-2-(2,4,5-Trichlorophenoxy)propionic Acid","","- C18 H15 Cl6 N O5 -","- C18 H15 Cl6 N O5 -","- C18 H15 Cl6 N O5 -","1","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.0637","0.0386","","","0.0842","0.0956","","","","","","1.029","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4506166","8.8882","0.0004","8.9048","0.0004","12.3155","0.0006","73.268","0.001","85.146","0.001","81.301","0.001","921.87","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","1","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","","0.0511","0.0505","","","0.1349","0.1357","","","","","","1.015","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506167","8.891","0.0006","8.9127","0.0007","12.3096","0.0008","73.314","0.003","85.193","0.004","81.33","0.004","922.85","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","1","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","","0.0643","0.0611","","","0.1559","0.1597","","","","","","1.028","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506322","12.7711","0.0014","14.229","0.002","16.003","0.002","106.64","0.002","103.935","0.003","106.606","0.003","2499.8","0.6","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C72 H102 Cu6 N18 O20 -","- C72 H47 Cu6 N18 O23.4 -","- C72 H47 Cu6 N18 O23.4 -","1","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.1154","0.0833","","","0.2292","0.2676","","","","","","0.98","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506579","6.801","0.01","8.232","0.012","28.08","0.04","95.03","0.02","90.61","0.02","91.551","0.019","1565","4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H18 Cl2 O3 -","- C23 H18 Cl2 O3 -","- C46 H36 Cl4 O6 -","2","2","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.1714","0.1574","","","0.3464","0.3702","","","","","","1.363","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506713","10.0715","0.0004","14.8192","0.0007","11.8886","0.0006","87.715","0.004","90.239","0.003","89.911","0.003","1772.96","0.14","295","1","295","1","","","","","","","see text","6","P 1","P 1","1","","2-fluorobenzoylcarvacryl thiourea, Form IA","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C72 H76 F4 N8 O8 S4 -","4","4","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0849","0.0475","","","0.0781","0.0853","","","","","","0.853","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506861","10.713","0.0005","11.522","0.0005","13.558","0.0006","70.415","0.004","85.157","0.004","80.418","0.004","1553.98","0.13","170","2","170","2","","","","","","","","5","P 1","P 1","1","lambda- (Co(en)3)2 BDC3 x 20 H2O","lambda-tris-1,2-(ethylenediamino)cobalt(III)-terephthalate-eikosahydrate","","- C36 H100 Co2 N12 O32 -","- C36 H60 Co2 N12 O32 -","- C36 H60 Co2 N12 O32 -","1","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","","0.0698","0.066","","","0.181","0.1891","","","","","","1.084","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4506948","12.3387","0.0016","12.3708","0.0016","15.603","0.002","74.361","0.002","85.392","0.003","60.48","0.002","1991.8","0.4","100","2","100","2","","","101.325","","","","Synthesis","5","P 1","P 1","1","Cyclic Thiazole Peptide","Tricyclic Phenylalanine Thiazole Peptide","","- C43 H38 N6 O3 S3 -","- C43 H38 N6 O3 S3 -","- C86 H76 N12 O6 S6 -","2","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0639","0.0467","","","0.102","0.1095","","","","","","1.014","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506949","12.3346","0.0012","12.428","0.0013","15.3231","0.0016","76.445","0.002","85.581","0.002","60.33","0.002","1982","0.4","100","2","100","2","","","101.325","","","","","6","P 1","P 1","1","Cyclic Thiazole peptide","Tricyclic Phethiazole peptide","","- C42 H35 Cl N6 O3 S3 -","- C42 H35 Cl N6 O3 S3 -","- C84 H70 Cl2 N12 O6 S6 -","2","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0401","0.0398","","","0.1059","0.1063","","","","","","1.022","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506969","9.192","0.0005","9.7676","0.0006","17.7719","0.001","94.216","0.002","90.984","0.003","92.364","0.003","1589.63","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C36 H46 N2 O3 -","- C36 H46 N2 O3 -","- C72 H92 N4 O6 -","2","2","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","1.54178","CuKα","","0.0884","0.0869","","","0.2193","0.2231","","","","","","1.041","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506972","6.972","0.005","12.167","0.007","13.867","0.008","100.52","0.03","93.15","0.04","91.43","0.04","1154.1","1.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","lamivudine hemihydrochloride hemihydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hemihydrochloride hemihydrate","","- C16 H25 Cl N6 O7 S2 -","- C16 H25 Cl N6 O7 S2 -","- C32 H50 Cl2 N12 O14 S4 -","2","2","","Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T.","Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology","Crystal Growth & Design","2012","12","10","5138","","10.1021/cg3011794","","","0.71073","MoKα","","0.1909","0.1039","","","0.2429","0.2912","","","","","","1.098","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507085","7.2651","0.0006","8.983","0.002","10.109","0.0015","97.82","0.08","110.42","0.05","112.3","0.06","543.9","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","1","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.0719","0.0613","","","0.174","0.1914","","","","","","1.11","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507161","8.0276","0.0007","10.9031","0.0008","16.9025","0.0013","71.996","0.007","82.528","0.006","87.128","0.006","1394.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","1","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","","0.0762","0.065","","","0.1823","0.1943","","","","","","1.037","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507422","5.373","0.0009","9.8442","0.0016","13.799","0.002","72.286","0.008","89.897","0.008","89.973","0.008","695.26","0.19","296","2","296","2","","","","","","","","4","P 1","P 1","1","compound 5a","anti-12-Hydroxy-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","2","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0548","0.0379","","","0.1252","0.1395","","","","","","0.604","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507426","7.1189","0.0001","7.5252","0.0001","8.242","0.0001","104.816","0.001","115.534","0.001","96.832","0.001","371.632","0.01","296","2","296","2","","","","","","","","4","P 1","P 1","1","Compound 1c","(2R,4S,5R)-2-tert-Butyl-3-(furan-2-carbonyl)-5- methyloxazolidine-4-carboxylic acid","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C14 H19 N O5 -","1","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0348","0.0347","","","0.0915","0.092","","","","","","0.99","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507574","5.1586","0.0006","8.9072","0.0009","20.768","0.002","86.317","0.007","86.355","0.007","73.313","0.007","911.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethene cocrystal","","- C40 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","1","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","","0.0905","0.078","","","0.1984","0.2095","","","","","","1.026","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507575","5.3101","0.0004","8.6465","0.0005","20.705","0.0014","84.956","0.004","85.946","0.004","74.581","0.004","911.77","0.11","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethane cocrystal","","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","1","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","","0.0426","0.0379","","","0.0924","0.0963","","","","","","1.023","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507705","8.5813","0.0006","10.5252","0.0008","10.921","0.0008","70.626","0.001","68.872","0.001","73.867","0.001","853.82","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H58 N4 O13 -","- C28 H58 N4 O13.145 -","- C28 H58 N4 O13.145 -","1","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0328","0.0326","","","0.0859","0.0861","","","","","","1.041","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507772","5.1139","0.0009","6.3453","0.0011","11.289","0.002","82.575","0.003","79.056","0.003","68.124","0.003","333.07","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","1","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0354","0.0351","","","0.1","0.1005","","","","","","1.077","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4508061","11.443","0.005","12.965","0.003","17.669","0.005","99.748","0.005","101.328","0.005","103.586","0.005","2433.7","1.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","1","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.104","0.0848","","","0.2247","0.248","","","","","","1.015","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508114","6.564","0.0014","8.4072","0.0017","18.343","0.004","101.06","0.006","94.93","0.006","98.137","0.006","976.8","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C40 H52 N4 O12 -","2","2","","Majumder, Joydeb; Das, Mahua Rani; Deb, Jolly; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","β-Amino Acid and Amino-Alcohol Conjugation of a Nonsteroidal Anti-Inflammatory Drug (NSAID) Imparts Hydrogelation Displaying Remarkable Biostability, Biocompatibility, and Anti-Inflammatory Properties.","Langmuir : the ACS journal of surfaces and colloids","2013","29","32","10254","10263","10.1021/la401929v","","","0.71073","MoKα","","0.0525","0.0426","","","0.1196","0.1365","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508300","4.6568","0.0003","11.0639","0.0006","12.2258","0.0007","98.373","0.002","100.443","0.002","97.995","0.002","603.94","0.06","120","2","120","2","","","","","","","","7","P 1","P 1","1","","PC-4-55-8 (4-Br-F4-phenyl)-4-I-F4-benzamide, 1,2-bis(4-pyridyl)ethylene","","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","1","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0522","0.0518","","","0.1298","0.1302","","","","","","1.034","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508388","6.8153","0.0012","8.6804","0.0019","15.585","0.003","81.945","0.007","80.298","0.006","89.715","0.007","899.7","0.3","300","2","300","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N4 O7 -","- C17 H20 N4 O7 -","- C34 H40 N8 O14 -","2","2","","Ivanova, Bojidarka; Spiteller, Michael","On the application of the organic barbiturates as NLO materials","Crystal Growth and Design","2010","10","","2470","2474","10.1021/cg100284r","","","0.71073","MoKα","","0.1152","0.0643","","","0.1531","0.1799","","","","","","1.016","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508396","9.293","0.0006","10.1006","0.0006","10.9952","0.0006","99.79","0.004","90.398","0.004","105.709","0.005","977.52","0.1","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0562","0.0504","","","0.1242","0.1303","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508516","7.9028","0.0013","13.74","0.003","13.9223","0.0016","61.675","0.014","86.564","0.013","84.041","0.017","1323.5","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}- 2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate, hydrochloride salt","","- C27 H36 Cl F2 N O4 -","- C27 H35.5 Cl F2 N O4 -","- C54 H71 Cl2 F4 N2 O8 -","2","2","","Vogt, Frederick G.; Williams, Glenn R.; Johnson, Matthew N.; Copley, Royston C. B.","A Spectroscopic and Diffractometric Study of Polymorphism in Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}-2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate Hydrochloride","Crystal Growth & Design","2013","13","12","5353","","10.1021/cg401232g","","","0.71073","MoKα","","0.0952","0.0551","","","0.1051","0.1195","","","","","","1.024","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508684","7.8264","0.0013","10.0763","0.0016","14.114","0.002","70.216","0.003","75.354","0.003","81.848","0.003","1011.4","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H29 Cu2 F12 N7 O6 P2 -","- C37 H25 Cu2 F12 N7 O6 P2 -","- C37 H25 Cu2 F12 N7 O6 P2 -","1","1","","Wang, Pingshan; Moorefield, Charles N.; Panzner, Matthew; Newkome, George R.","TerpyridineCuIIPolycarboxylate Crystal Reorganization to One- and Two-Dimensional Nanostructures: Crystal Disassembly and Reassembly","Crystal Growth & Design","2006","6","7","1563","","10.1021/cg060086t","","","0.71073","MoKα","","0.0647","0.0562","","","0.1278","0.133","","","","","","1.05","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4509150","5.7645","0.0016","7.607","0.002","19.109","0.005","84.851","0.005","83.797","0.005","89.241","0.005","829.7","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","1","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0774","0.0611","","","0.1474","0.1657","","","","","","1.05","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509303","13.7183","0.0008","21.3378","0.0012","24.4177","0.0013","68.715","0.004","78.284","0.004","73.004","0.005","6331.3","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C180 H388 Cu12 N84 O26 Ru6 -","- C180 H336 Cu12 N84 O26 Ru6 -","- C180 H336 Cu12 N84 O26 Ru6 -","1","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","","0.0756","0.0446","","","0.0785","0.0873","","","","","","0.935","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509327","7.563","0.0013","10.0792","0.0015","13.163","0.002","69.37","0.006","81.226","0.007","69.133","0.005","877","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 Co2 N6 O15 S2 -","- C26 H36 Co2 N6 O15 S2 -","- C26 H36 Co2 N6 O15 S2 -","1","1","","Huang, Fu-Ping; Li, Hai-Ye; Tian, Jin-Lei; Gu, Wen; Jiang, Yi-Min; Yan, Shi-Ping; Liao, Dai-Zheng","A Three-Dimensional (42.84)-lvt Topology and a Two-Dimensional Brick-Wall Network: Two Pillared Supramolecular Isomers Exploring the Use ofl-Cysteic Acid to Engineer Porous Frameworks","Crystal Growth & Design","2009","9","7","3191","","10.1021/cg801243a","","","0.71073","MoKα","","0.0263","0.0252","","","0.0639","0.0645","","","","","","1.009","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509386","8.0373","0.0002","17.3175","0.0005","18.8337","0.0006","87.7","0.0018","77.701","0.0017","76.579","0.0017","2491.16","0.13","213.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C51 H78 N2 O12.5 -","- C51 H78 N2 O12.5 -","- C102 H156 N4 O25 -","2","2","","Hisaki, Ichiro; Shizuki, Norie; Aburaya, Kazuaki; Katsuta, Masanori; Tohnai, Norimitsu; Miyata, Mikiji","Structures of Brucinium Cholate: Bile Acid and Strychnine Derivatives Meet in the Crystals","Crystal Growth & Design","2009","9","3","1280","","10.1021/cg801336t","","","1.54187","CuKα","","","0.0667","","","","0.2045","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509674","4.1191","0.0008","7.3004","0.0015","13.126","0.003","95.669","0.004","90.19","0.003","92.231","0.003","392.47","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H14 I N3 O2 -","- C16 H14 I N3 O2 -","- C16 H14 I N3 O2 -","1","1","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.0482","0.0473","","","0.1229","0.1234","","","","","","1.049","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509699","6.7115","0.0019","12.1","0.004","12.426","0.004","113.727","0.004","93.701","0.005","100.604","0.005","897.2","0.5","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Cd N6 O10 -","- C30 H50 Cd N6 O10 -","- C30 H50 Cd N6 O10 -","1","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0489","0.0479","","","0.1155","0.1158","","","","","","1.012","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509798","6.6338","0.0004","7.6444","0.0005","8.6996","0.0008","113.502","0.005","102.074","0.005","102.532","0.004","372.77","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","1","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alica M.","Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids","Crystal Growth & Design","2009","9","11","4595","","10.1021/cg900908n","","","0.71073","MoKα","","0.0696","0.0542","","","0.1353","0.1434","","","","","","1.065","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4510377","4.2226","0.0014","9.193","0.003","28.19","0.009","90.056","0.005","90.057","0.006","90.049","0.006","1094.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","4","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0678","0.0519","","","0.1233","0.1334","","","","","","1.04","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510527","12.4439","0.0005","14.9301","0.0008","15.9617","0.0009","78.21","0.005","78.697","0.004","77.997","0.004","2802.7","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","1","1","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0284","0.0243","","","0.0458","0.0473","","","","","","0.949","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510532","6.087","0.0002","10.2177","0.0003","16.2642","0.0006","101.205","0.0011","92.7447","0.001","96.7569","0.0019","982.78","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol acetonitrile solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C23 H23.5 F N3.5 O2 -","- C23 H23.5 F N3.5 O2 -","- C46 H47 F2 N7 O4 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0915","0.0526","","","0.11","0.1285","","","","","","1.012","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510536","6.0673","0.0001","10.1884","0.0003","16.4237","0.0005","99.8303","0.0013","92.288","0.0012","95.6243","0.0018","993.86","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol nitromethane solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C22.5 H23.5 F N3.5 O3 -","- C22.5 H23.5 F N3.5 O3 -","- C45 H47 F2 N7 O6 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0911","0.0546","","","0.1165","0.1346","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510819","6.6136","0.0018","10.492","0.003","15.293","0.004","91.298","0.004","91.219","0.005","101.16","0.004","1040.5","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21.5 H27 Cl F N3 O4.5 -","- C21.5 H27 Cl F N3 O4.5 -","- C43 H54 Cl2 F2 N6 O9 -","2","2","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0968","0.0788","","","0.1708","0.1875","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510853","9.2626","0.0001","9.797","0.0002","13.9686","0.0002","88.588","0.001","73.393","0.001","68.374","0.001","1124.57","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C53 H72 O4 -","- C53 H72 O4 -","- C53 H72 O4 -","1","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0703","0.0447","","","0.1159","0.1351","","","","","","1.031","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510878","7.0988","0.0009","7.3613","0.001","12.1428","0.0013","77.496","0.01","88.25","0.01","74.232","0.012","595.91","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","1","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0586","0.054","","","0.1614","0.167","","","","","","1.057","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4511002","9.374","0.001","11.126","0.001","15.366","0.002","109.467","0.007","90.876","0.007","113.693","0.004","1362.8","0.3","150","2","150","2","","","","","","","","3","P 1","P 1","1","3,5-Dihydroxybenzoic acid diethyl succinate","","","- C50 H57 O34 -","- C50 H57 O34 -","- C50 H57 O34 -","1","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0507","0.0465","","","0.1314","0.135","","","","","","1.089","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511050","8.308","0.0011","9.3858","0.0013","9.4912","0.0013","104.358","0.002","90.672","0.002","104.581","0.002","691.71","0.16","273","2","273","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 Cu N14 -","- C28 H28 Cu N14 -","- C28 H28 Cu N14 -","1","1","","Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan","New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene)","Crystal Growth & Design","2009","9","10","4533","","10.1021/cg900547b","","","0.71073","MoKα","","0.0396","0.0358","","","0.0882","0.0912","","","","","","1.057","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511302","7.953","0.0006","8.6403","0.0007","10.4582","0.0007","83.337","0.006","86.973","0.006","75.431","0.007","690.63","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Stanozolol / 6-hydroxy-2-naphthoic acid","1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a- hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol 6-hydroxy-2-naphthoic acid","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","1","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","","","0.71073","MoKα","","0.0537","0.0465","","","0.1025","0.1073","","","","","","1.032","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511391","5.1916","0.0001","9.4525","0.0002","10.0367","0.0002","96.326","0.001","102.938","0.001","104.998","0.001","456.226","0.016","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0323","0.0321","","","0.0815","0.0818","","","","","","1","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511392","5.1941","0.0001","9.4531","0.0001","10.0232","0.0001","96.343","0.001","102.945","0.001","104.938","0.001","455.971","0.012","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.029","0.0288","","","0.075","0.0755","","","","","","1.001","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511523","8.552","0.003","10.137","0.003","12.372","0.004","85.68","0.005","78.101","0.005","87.955","0.005","1046.3","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H23 Cl N O2.5 -","- C23 H23 Cl N O2.5 -","- C46 H46 Cl2 N2 O5 -","2","2","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0434","0.0428","","","0.1229","0.1236","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511685","8.0679","0.0002","8.9156","0.0003","16.6791","0.0005","77.872","0.002","87.581","0.002","74.133","0.003","1128.11","0.06","293","2","293","2","","","","","","","Synthetic Product","4","P 1","P 1","1","doxycycline nitrate salt hemihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, nitrate, hemihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","1","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0369","0.0332","","","0.084","0.0867","","","","","","1.027","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511822","4.819","0.006","5.131","0.006","9.627","0.011","104.662","0.013","93.985","0.014","92.586","0.014","229.2","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C7 H17 N O5 -","1","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0365","0.0345","","","0.0922","0.0984","","","","","","1.108","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4512051","7.792","0.003","12.715","0.004","13.1","0.004","86.007","0.014","87.137","0.012","82.964","0.018","1283.9","0.8","273","","273","","","","","","","","","3","P 1","P 1","1","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C61 H32 N18 -","1","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0568","","","","0.1696","","","","","","1.022","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512227","9.44471","0.00017","10.38896","0.00019","15.6489","0.0003","77.4892","0.0015","72.8378","0.0016","77.6285","0.0016","1413.55","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H62 N4 O36 -","- C50 H62 N4 O36 -","- C50 H62 N4 O36 -","1","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","","0.0398","0.0389","","","0.1074","0.1085","","","","","","1.038","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512258","9.756","0.002","10.346","0.003","11.822","0.003","86.418","0.005","86.785","0.006","87.184","0.005","1187.8","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H29 N4 O8.5 Zn -","- C19 H22 N4 O8.5 Zn -","- C38 H44 N8 O17 Zn2 -","2","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0441","0.0397","","","0.1049","0.1079","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512327","12.3353","0.0013","79.515","0.0008","14.7011","0.0016","90","","113.236","0.01","90","","13250","2","","","","","","","","","","","","6","P 1","P 1","1","","","","- C10 H10 B F4 I N2 -","- C100 H100 B8.32662 F32.909 I10 N20 -","- C400 H400 B33.3065 F131.636 I40 N80 -","4","4","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","","","","","","","","","","","","","","","","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512328","12.4327","0.0008","80.829","0.0005","14.8445","0.0012","90","0.006","113.272","0.007","90","0.005","13703.9","1.6","","","","","","","","","","","","6","P 1","P 1","1","","","","- C10 H10 Cl I N2 O4 -","- C100 H100 Cl10 I10 N20 O40 -","- C400 H400 Cl40 I40 N80 O160 -","4","4","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","","","","","","","","","","","","","","","","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512490","8.4756","0.0002","8.8071","0.0003","18.6806","0.0013","99.732","0.007","90.796","0.006","112.598","0.008","1264.06","0.13","85","2","85","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H24 F3 Fe N5 O4 S -","- C25 H24 F3 Fe N5 O4 S -","- C50 H48 F6 Fe2 N10 O8 S2 -","2","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0788","0.0735","","","0.2118","0.2194","","","","","","1.155","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512573","8.6816","0.0003","9.268","0.0003","18.9183","0.0005","85.672","0.002","79.851","0.002","62.346","0.002","1327.17","0.08","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N5 O6 -","- C27 H29 N5 O6 -","- C54 H58 N10 O12 -","2","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0583","0.0476","","","0.1172","0.1271","","","","","","1.068","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512945","10.795","0.0002","12.6416","0.0004","14.6957","0.0004","65.979","0.003","89.9734","0.0019","71.994","0.002","1723.83","0.09","110","0.14","110","0.14","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Br Co N2 O2 -","- C36 H52 Br Co N2 O2 -","- C72 H104 Br2 Co2 N4 O4 -","2","2","","North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao","Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling","ACS Catalysis","2015","5","6","3398","","10.1021/acscatal.5b00235","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.081","0.0845","","","","","","1.025","","","","has coordinates,has disorder","154538","2020-10-21","18:00:00",""
"4513087","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90.048","0.009","90.12","0.008","90.323","0.008","637.71","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C4 H9.83 N1.83 O4.17 -","- C4 H9.8265 N1.8265 O4.1735 -","- C16 H39.306 N7.306 O16.694 -","4","4","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0372","0.0323","","","0.0792","0.0822","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513092","5.5675","0.0012","9.779","0.002","11.699","0.002","90.078","0.011","90.234","0.01","90.215","0.01","636.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H39.27 N7.27 O16.73 -","- C16 H39.271 N7.271 O16.729 -","- C16 H39.271 N7.271 O16.729 -","1","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0362","0.0318","","","0.076","0.0788","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513224","9.8949","0.0007","9.9056","0.0007","7.2865","0.0005","89.46","0.01","89.944","0.001","60.09","0.01","619.03","0.1","293","","293","","","","","","","","","3","P 1","P 1","1","","","","- Ge6 La9.68 O26.51 -","- Ge6 La9.675 O26.513 -","- Ge6 La9.675 O26.513 -","1","1","","Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Jouin, Jenny; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity of Highly Grain-Aligned Polycrystalline Lanthanum Germanate Oxyapatite Grown by Reactive Diffusion between Solid La2GeO5and Gases [GeO + 1/2O2]","Crystal Growth & Design","2015","15","7","3435","","10.1021/acs.cgd.5b00509","","x-ray","0.71073","MoKα","","0.0382","0.0298","","","0.0333","0.0346","","","","1.66","1.66","1.6","","","","has coordinates","152786","2020-10-21","18:00:00",""
"4513387","13.8302","0.0005","15.4438","0.0005","16.7517","0.0006","108.353","0.001","90.647","0.001","116.089","0.001","3002.56","0.19","200","2","200","2","","","","","","","","6","P 1","P 1","1","(/l,R,R,SN-/l,R,R,SN)-Ti-3B","","","- C64 H56 Br4 N4 O6 Ti2 -","- C64 H56 Br4 N4 O6 Ti2 -","- C128 H112 Br8 N8 O12 Ti4 -","2","2","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0399","0.0314","","","0.086","0.0886","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513457","12.177","0.005","13.175","0.005","15.814","0.005","66.028","0.005","87.249","0.005","89.986","0.005","2315","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H29 Cd4 N13 O45 -","- C51 H29 Cd4 N13 O45 -","- C51 H29 Cd4 N13 O45 -","1","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","","0.0648","0.0551","","","0.1271","0.133","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513541","11.685","0.003","12.44","0.004","13.933","0.004","80.464","0.004","77.996","0.004","64.417","0.004","1780.2","0.9","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C21 H12 Ag F3 N2 O3 S4 -","- C21 H12 Ag F3 N2 O3 S4 -","- C63 H36 Ag3 F9 N6 O9 S12 -","3","3","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0433","0.039","","","0.1028","0.1083","","","","","","1.02","","","","has coordinates","154589","2020-10-21","18:00:00",""
"4513725","6.2669","0.0003","11.7767","0.0008","11.965","0.0007","66.479","0.005","76.664","0.004","77.411","0.005","779.97","0.09","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H39 Cl Li4 O6 -","- C30 H39 Cl Li4 O6 -","- C30 H39 Cl Li4 O6 -","1","1","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.2114","0.0982","","","0.1037","0.1257","","","","","","0.965","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513780","8.9143","0.0005","10.0383","0.0006","10.4508","0.0006","106.994","0.003","96.214","0.003","108.761","0.003","825.44","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H13 Br N2 O3 S -","- C15 H12.5 Br N2 O3 S -","- C30 H25 Br2 N4 O6 S2 -","2","2","","Li, Yi; Yu, Yue-Na; Xu, Ming-Hua","Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives","ACS Catalysis","2016","6","2","661","","10.1021/acscatal.5b02403","","","0.71073","MoKα","","0.0413","0.0335","","","0.0873","0.0902","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513908","8.768","0.007","9.508","0.006","10.629","0.01","97.45","0.03","100.88","0.03","117.39","0.03","748.4","1.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","1","1","","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","","","1.54178","CuKα","","0.0604","0.0565","","","0.1434","0.1614","","","","","","1.074","","","","has coordinates","186952","2020-10-21","18:00:00",""
"4513933","9.8739","0.001","10.6233","0.0011","13.8412","0.0013","86.937","0.003","77.911","0.003","89.004","0.003","1417.6","0.2","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 Cl3 N3 O7 S -","- C28 H24 Cl3 N3 O7 S -","- C56 H48 Cl6 N6 O14 S2 -","2","2","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.1217","0.071","","","0.1508","0.1851","","","","","","1.032","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513940","10.4939","0.001","10.7859","0.001","13.5065","0.0013","101.154","0.003","92.256","0.003","102.353","0.003","1459.9","0.2","103","2","103","2","","","","","","","","8","P 1","P 1","1","[Fe(CNAd)2(1b)](BF4)2, 2 CH2Cl2 (3c)","","","- C59 H74 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","1","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0694","0.0528","","","0.1213","0.1304","","","","","","1.018","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513955","4.6759","0.0016","11.637","0.004","12.148","0.004","101.704","0.006","94.481","0.006","97.981","0.006","637.1","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","2","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0825","0.0559","","","0.1317","0.152","","","","","","1.005","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4514171","5.014","0.001","11.531","0.002","18.198","0.004","90.266","0.005","95.463","0.004","90.212","0.005","1047.3","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","2","","Misra, Rajkumar; Sharma, Aman; Shiras, Anjali; Gopi, Hosahudya N.","Backbone Engineered γ-Peptide Amphitropic Gels for Immobilization of Semiconductor Quantum Dots and 2D Cell Culture.","Langmuir : the ACS journal of surfaces and colloids","2017","33","31","7762","7768","10.1021/acs.langmuir.7b01283","","","0.71073","MoKα","","0.0575","0.0448","","","0.1336","0.1519","","","","","","0.787","","","","has coordinates","200719","2020-10-21","18:00:00",""
"4514282","12.1349","0.0008","12.2766","0.0008","18.6225","0.0012","85.388","0.001","74.176","0.001","65.392","0.001","2425","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0257","0.0227","","","0.0463","0.0473","","","","","","1.009","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514283","12.196","0.004","12.295","0.004","18.618","0.006","86.04","0.01","73.489","0.009","64.932","0.01","2420.3","1.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.95 H139.51 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0976","0.0853","","","0.2324","0.2427","","","","","","1.108","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514284","12.0666","0.0005","12.3213","0.0006","18.3525","0.0008","74.092","0.001","87.97","0.001","65.236","0.001","2372.91","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0784","0.0533","","","0.0948","0.102","","","","","","0.83","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514315","9.528","0.003","10.803","0.003","12.452","0.003","94.682","0.005","100.658","0.005","98.889","0.005","1236.4","0.6","93","2","93","2","","","","","","","","5","P 1","P 1","1","(R)-N-(1-(1-benzyl-1H-indol-3-yl)-1-phenylethyl) -4-methylbenzenesulfonamide","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C60 H56 N4 O4 S2 -","2","2","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.0418","0.0378","","","0.092","0.0933","","","","","","1.022","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4514342","12.1582","0.0004","19.1469","0.0006","23.6521","0.0008","80.268","0.001","80.837","0.002","84.148","0.002","5341.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H39 O4.5 S0.5 Se -","- C27 H39 O4.5 S0.5 Se -","- C216 H312 O36 S4 Se8 -","8","8","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","1.54178","CuKα","","0.0438","0.039","","","0.0944","0.0974","","","","","","1.03","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514462","4.7869","0.0003","10.7951","0.0008","12.763","0.0009","109.571","0.003","91.067","0.003","91.47","0.003","620.96","0.08","100","2","100","","","","","","","","","4","P 1","P 1","1","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","2","","Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu","Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information.","ACS applied materials & interfaces","2019","11","37","34526","34531","10.1021/acsami.9b14474","","","0.71073","MoKα","","0.0934","0.0692","","","0.1661","0.1803","","","","","","1.036","","","","has coordinates","219651","2020-10-21","18:00:00",""
"4514611","6.264","0.002","9.621","0.004","11.639","0.004","91.385","0.006","96.47","0.006","100.453","0.006","684.7","0.4","150.15","","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","1","1","","Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen","Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes","ACS Catalysis","2019","9","10","9110","","10.1021/acscatal.9b02623","","","0.71073","MoKα","","0.0716","0.0564","","","0.1388","0.1493","","","","","","1.014","","","","has coordinates","219796","2020-10-21","18:00:00",""
"4514662","5.7084","0.0001","14.6112","0.0002","15.7856","0.0002","72.801","0.001","87.877","0.001","87.344","0.001","1256.02","0.03","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","","","","- C24.5 H0.5 Cl1.5 N2 O2 S3 -","- C24.5 H24.5 Cl1.5 N2 O2 S3 -","- C49 H49 Cl3 N4 O4 S6 -","2","2","","Liang, Yaoyu; Zhao, Xiaodan","Enantioselective Construction of Chiral Sulfides via Catalytic Electrophilic Azidothiolation and Oxythiolation of N-Allyl Sulfonamides","ACS Catalysis","2019","9","8","6896","","10.1021/acscatal.9b01900","","x-ray","1.54184","CuKα","","0.0576","0.0548","","","0.152","0.1558","","","","","","1.083","","","","has coordinates","219841","2020-10-21","18:00:00",""
"4514689","9.0328","0.0003","9.506","0.0003","13.9771","0.0003","90.165","0.002","95.249","0.002","115.51","0.003","1077.42","0.06","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F3 N O5 S -","- C21 H20 F3 N O5 S -","- C42 H40 F6 N2 O10 S2 -","2","2","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0659","0.064","","","0.1717","0.1746","","","","","","1.04","","","","has coordinates","219866","2020-10-21","18:00:00",""
"4514760","8.5586","0.0002","8.9303","0.0002","9.6822","0.0002","76.723","0.001","86.703","0.001","85.126","0.001","717.08","0.03","170","2","169.99","","","","","","","","","6","P 1","P 1","1","","","","- C12.5 H16 Cl2 Co N1.5 O -","- C12 H16 Cl2 Co N2 O -","- C24 H32 Cl4 Co2 N4 O2 -","2","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0408","0.0369","","","0.0995","0.105","","","","","","0.81","","","","has coordinates","219920","2020-10-21","18:00:00",""
"4514781","7.0791","0.0002","7.2172","0.0002","16.4881","0.0006","85.775","0.003","87.502","0.003","64.437","0.003","757.81","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C17 H11 Cr F O5 -","- C17 H11 Cr F O5 -","- C34 H22 Cr2 F2 O10 -","2","2","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1277","0.1284","","","","","","1.04","","","","has coordinates,has disorder","219941","2020-10-21","18:00:00",""
"4514833","7.0841","0.0002","14.1779","0.0005","15.2277","0.0007","98.32","0.003","100.672","0.003","103.356","0.003","1433.94","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H47 N3 O6 S -","- C29 H47 N3 O6 S -","- C58 H94 N6 O12 S2 -","2","2","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.7107","MoKα","","0.0555","0.0437","","","0.1018","0.1047","","","","","","0.97","","","","has coordinates","219994","2020-10-21","18:00:00",""
"4514861","8.6566","0.0005","11.3426","0.0005","16.584","0.0009","89.235","0.003","77.991","0.002","89.031","0.002","1592.41","0.14","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","4","","Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua","Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C‒N Coupling","ACS Catalysis","2019","9","3","2286","","10.1021/acscatal.8b04789","","","0.71073","MoKα","","0.0583","0.0445","","","0.086","0.0932","","","","","","1.022","","","","has coordinates,has disorder","220022","2020-10-21","18:00:00",""
"4514903","13.559","0.002","15.38","0.002","15.989","0.003","63.668","0.005","88.605","0.007","74.638","0.006","2864.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H35 Cl2 Co N6 O7.5 -","- C22 H35 Cl2 Co N6 O7.5 -","- C88 H140 Cl8 Co4 N24 O30 -","4","4","","Dolui, Dependu; Khandelwal, Shikha; Shaik, Althaf; Gaat, Deepika; Thiruvenkatam, Vijay; Dutta, Arnab","Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H2 Production Electrocatalysts","ACS Catalysis","2019","","","10115","","10.1021/acscatal.9b02953","","","0.71073","MoKα","","0.0566","0.0466","","","0.1156","0.1214","","","","","","1.035","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4515484","9.0036","0.0009","10.9036","0.0011","11.9944","0.0012","103.063","0.005","98.741","0.005","91.068","0.005","1132","0.2","293","","298","","","","","","","","","5","P 1","P 1","1","","YSB-!","","- C23 H22 N2 O4 S2 -","- C23 H22 N2 O4 S2 -","- C46 H44 N4 O8 S4 -","2","2","","Yang, Shengbiao; Wang, Lihong; Zhang, Hongwei; Liu, Chunyang; Zhang, Linli; Wang, Xiaomin; Zhang, Ge; Li, Yan; Zhang, Qian","Copper-Catalyzed Asymmetric Aminocyanation of Arylcyclopropanes for Synthesis of γ-Amino Nitriles","ACS Catalysis","2018","9","1","716","","10.1021/acscatal.8b03768","","","1.54184","CuKα","","0.0519","0.0391","","","0.0886","0.0966","","","","","","1.044","","","","has coordinates","225639","2020-10-21","18:00:00",""
"4515546","10.1611","0.0008","10.3192","0.0009","12.2146","0.001","73.14","0.0016","71.609","0.0015","61.296","0.002","1051.13","0.15","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.0873","0.0667","","","0.1643","0.1805","","","","","","1.023","","","","has coordinates,has disorder","225703","2020-10-21","18:00:00",""
"4515547","10.082","0.0006","10.316","0.0007","12.247","0.0008","73.57","0.004","71.546","0.004","61.603","0.004","1049.43","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.156","0.1083","","","0.2803","0.3236","","","","","","1.048","","","","has coordinates,has disorder","225704","2020-10-21","18:00:00",""
"4515629","9.0823","0.0006","10.0446","0.0006","16.7815","0.0011","72.627","0.001","75.846","0.001","89.976","0.001","1412.38","0.16","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C13 H15 B F3 K -","- C13 H15 B F3 K -","- C52 H60 B4 F12 K4 -","4","4","","Gao, De-Wei; Xiao, Yiyang; Liu, Mingyu; Liu, Zhen; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Catalytic, Enantioselective Synthesis of Allenyl Boronates.","ACS catalysis","2018","8","4","3650","3654","10.1021/acscatal.8b00626","","x-ray","0.71073","MoKα","","0.0331","0.0289","","","0.0715","0.0738","","","","","","1.044","","","","has coordinates","225773","2020-10-21","18:00:00",""
"4515794","5.6607","0.0011","8.2437","0.0016","10.596","0.002","96.24","0.03","99.41","0.03","96.49","0.03","480.59","0.17","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","1","1","","Tong, Hua-Rong; Zheng, Sujuan; Li, Xinghua; Deng, Zhiqiang; Wang, Hao; He, Gang; Peng, Qian; Chen, Gong","Pd(0)-Catalyzed Bidentate Auxiliary Directed Enantioselective Benzylic C‒H Arylation of 3-Arylpropanamides Using the BINOL Phosphoramidite Ligand","ACS Catalysis","2018","8","12","11502","","10.1021/acscatal.8b03654","","","0.71073","MoKα","","0.0557","0.0352","","","0.0574","0.0612","","","","","","0.799","","","","has coordinates","225910","2020-10-21","18:00:00",""
"4515964","10.867","0.0014","10.9382","0.0014","22.644","0.003","90.95","0.003","103.366","0.003","116.98","0.003","2310.7","0.5","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H66 B Cl Co N6 O7 -","- C48 H66 B Cl Co N6 O7 -","- C96 H132 B2 Cl2 Co2 N12 O14 -","2","2","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.113","0.0616","","","0.1161","0.1356","","","","","","1.002","","","","has coordinates","226028","2020-10-21","18:00:00",""
"4516029","8.3874","0.0003","10.6644","0.0006","13.5952","0.0007","69.268","0.005","89.374","0.004","71.779","0.004","1073.44","0.1","150","","150","","","","","","","","local","4","P 1","P 1","1","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.047","0.0465","","0.1294","0.1287","0.1294","","","","","","1.0188","","","","has coordinates","226065","2020-10-21","18:00:00",""
"4516059","10.612","0.005","17.232","0.008","21.162","0.01","88.192","0.007","87.296","0.007","79.182","0.007","3796","3","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Val-Val-Aib)4-OMe.3MeOH","","- C63.5 H118 N12 O16.5 -","- C63.5 H118 N12 O16.5 -","- C127 H236 N24 O33 -","2","2","","Tsuji, Genichiro; Misawa, Takashi; Doi, Mitsunobu; Demizu, Yosuke","Extent of Helical Induction Caused by Introducing α-Aminoisobutyric Acid into an Oligovaline Sequence.","ACS omega","2018","3","6","6395","6399","10.1021/acsomega.8b01030","","","0.71073","MoKα","","0.145","0.0922","","","0.2264","0.2515","","","","","","1.007","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516121","14.1735","0.0005","14.6182","0.0005","17.4983","0.0005","110.609","0.001","92.046","0.002","100.845","0.002","3312.32","0.19","100","2","100","2","","","","","","","","10","P 1","P 1","1","A-rxn1 - 2016AN001ANP01","","","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C110 H108 B2 Br2 Cl18 F8 N10 O18 P4 Pd2 -","2","2","","Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana","N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity.","ACS omega","2018","3","11","15653","15656","10.1021/acsomega.8b02387","","","0.71073","MoKα","","0.0759","0.0485","","","0.1092","0.1211","","","","","","1.029","","","","has coordinates,has disorder","226127","2020-10-21","18:00:00",""
"4516309","3.811","0.001","10.342","0.003","10.844","0.003","65.84","0.03","85.83","0.03","89.45","0.03","388.8","0.2","298","2","298","2","","","","","","","","4","P 1","P 1","1","","1,2-bis(4-pyridyl)ethene-2,4-dihydroxybenzoic acid complex","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","1","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0531","0.0451","","","0.104","0.1088","","","","","","1.178","","","","has coordinates","231237","2020-10-21","18:00:00",""
"4516384","15.183","0.007","15.207","0.008","15.218","0.008","89.263","0.019","78.254","0.015","66.414","0.01","3143","3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C112 H132 Eu2 N12 O28 Sm4 -","- C112 H132 Eu2 N12 O28 Sm4 -","- C112 H132 Eu2 N12 O28 Sm4 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.0608","0.0575","","","0.148","0.1523","","","","","","1.035","","","","has coordinates","231283","2020-10-21","18:00:00",""
"4516385","15.1243","0.0005","15.1725","0.0006","15.1882","0.0007","78.901","0.004","66.852","0.004","89.556","0.003","3135.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C112 H132 Eu2 N12 O28 Tb4 -","- C112 H132 Eu2 N12 O28 Tb4 -","- C112 H132 Eu2 N12 O28 Tb4 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.1024","0.09","","","0.2248","0.2408","","","","","","1.043","","","","has coordinates","231284","2020-10-21","18:00:00",""
"4516386","15.246","0.004","15.252","0.004","15.28","0.004","66.002","0.005","89.09","0.007","78.068","0.007","3166.6","1.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C112 H132 Eu6 N12 O28 -","- C112 H132 Eu6 N12 O28 -","- C112 H132 Eu6 N12 O28 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.0698","0.0672","","","0.1672","0.1699","","","","","","1.048","","","","has coordinates","231285","2020-10-21","18:00:00",""
"4516727","6.1366","0.0002","11.2261","0.0004","11.6894","0.0004","67.3845","0.001","81.2585","0.001","88.6059","0.0011","734.21","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H40 O7 -","- C33 H40 O7 -","- C33 H40 O7 -","1","1","","Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Carbohydrate Oxidations: A Nuclear Magnetic Resonance (NMR) Study on Selectivity, Rate, and Side-Product Formation.","ACS catalysis","2017","7","2","1438","1445","10.1021/acscatal.6b03459","","","0.71073","MoKα","","0.0346","0.0331","","","0.082","0.0831","","","","","","1.068","","","","has coordinates","239489","2020-10-21","18:00:00",""
"4516781","8.2491","0.0002","10.4883","0.0002","11.6077","0.0003","82.052","0.001","77.374","0.002","88.501","0.001","970.58","0.04","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","1","1","","Chu, Hang; Smith, Joel M.; Felding, Jakob; Baran, Phil S.","Scalable Synthesis of (-)-Thapsigargin.","ACS central science","2017","3","1","47","51","10.1021/acscentsci.6b00313","","x-ray","1.54178","CuKα","","0.0427","0.0425","","","0.1295","0.1299","","","","","","1.205","","","","has coordinates","239533","2020-10-21","18:00:00",""
"4516826","15.3656","0.0001","33.7803","0.0002","34.0423","0.0002","87.988","0.001","84.885","0.001","78.244","0.001","17227.7","0.19","150","0.1","150","0.1","","","","","","","","4","P 1","P 1","1","","","","- C168 H216 Au8 O16 -","- C168 H216 Au8 O16 -","- C672 H864 Au32 O64 -","4","4","","Jia, Tong-Tong; Yang, Guang; Mo, Sai-Jun; Wang, Zhao-Yang; Li, Bing-Jie; Ma, Wang; Guo, Yue-Xin; Chen, Xiaoyuan; Zhao, Xueli; Liu, Jun-Qi; Zang, Shuang-Quan","Atomically Precise Gold-Levonorgestrel Nanocluster as a Radiosensitizer for Enhanced Cancer Therapy.","ACS nano","2019","13","7","8320","8328","10.1021/acsnano.9b03767","","x-ray","0.71073","MoKα","","0.0599","0.0436","","","0.0928","0.0964","","","","","","1.128","","","","has coordinates","239570","2020-10-21","18:00:00",""
"4516893","8.095","0.002","14.812","0.004","15.641","0.004","66.874","0.012","76.588","0.014","77.346","0.014","1660.4","0.8","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H50 Br2 N6 Pd -","- C28 H50 Br2 N6 Pd -","- C56 H100 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.033","0.0258","","","0.0529","0.055","","","","","","0.892","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516894","7.715","0.004","7.865","0.004","14.299","0.007","101.479","0.008","95.384","0.005","90.079","0.007","846.4","0.7","273","","273","","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","","0.0553","","","","0.1204","","","","","","1.151","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516895","7.706","0.0015","7.8581","0.0016","14.256","0.003","101.44","0.03","95.42","0.03","90.11","0.03","842.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71073","MoKα","","0.0491","0.0373","","","0.067","0.073","","","","","","0.929","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516896","11.565","0.003","13.039","0.003","13.719","0.003","98.396","0.004","95.925","0.004","101.192","0.003","1989.1","0.8","150","2","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Br2 N6 Pd -","- C38 H54 Br2 N6 Pd -","- C76 H108 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0564","0.0369","","","0.0823","0.0994","","","","","","1.086","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516932","9.1837","0.0017","9.7176","0.0018","10.067","0.002","101.961","0.005","97.001","0.005","90.11","0.004","872","0.3","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0408","0.0351","","","0.0804","0.0853","","","","","","1.093","","","","has coordinates","239638","2020-10-21","18:00:00",""
"4516934","8.724","0.004","9.467","0.005","11.201","0.005","98.149","0.015","102.16","0.009","116.678","0.011","777.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0149","0.0149","","","0.0381","0.0381","","","","","","1.169","","","","has coordinates","239640","2020-10-21","18:00:00",""
"4517061","7.3823","0.0003","8.4674","0.0003","10.4894","0.0004","77.886","0.001","86.838","0.002","87.937","0.002","639.9","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0975","0.0466","","","0.0755","0.0899","","","","","","0.928","","","","has coordinates","239718","2020-10-21","18:00:00",""
"4517062","7.519","0.0007","8.8836","0.0008","10.1342","0.0009","76.071","0.003","86.803","0.003","83.784","0.003","652.84","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1229","0.0467","","","0.0756","0.0951","","","","","","0.949","","","","has coordinates,has disorder","239719","2020-10-21","18:00:00",""
"4517063","7.4063","0.0004","8.5132","0.0005","10.4515","0.0006","77.693","0.002","86.876","0.002","87.493","0.002","642.53","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0598","0.0434","","","0.1072","0.1191","","","","","","1.049","","","","has coordinates,has disorder","239720","2020-10-21","18:00:00",""
"4517064","7.4235","0.0004","8.5698","0.0005","10.393","0.0005","77.478","0.002","86.938","0.002","86.79","0.002","643.86","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0827","0.0504","","","0.1212","0.1403","","","","","","1.015","","","","has coordinates,has disorder","239721","2020-10-21","18:00:00",""
"4517065","7.5049","0.0004","8.8598","0.0004","10.1573","0.0006","76.199","0.002","86.886","0.003","83.941","0.002","651.92","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1378","0.0486","","","0.0723","0.0922","","","","","","0.939","","","","has coordinates,has disorder","239722","2020-10-21","18:00:00",""
"4517066","7.5175","0.0003","8.8851","0.0003","10.1345","0.0004","76.054","0.002","86.817","0.002","83.763","0.002","652.78","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1015","0.051","","","0.113","0.1362","","","","","","1.015","","","","has coordinates,has disorder","239723","2020-10-21","18:00:00",""
"4517067","7.4793","0.0002","8.7829","0.0003","10.2316","0.0003","76.593","0.002","86.968","0.002","84.781","0.002","650.74","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0907","0.0466","","","0.1034","0.1225","","","","","","1.013","","","","has coordinates,has disorder","239724","2020-10-21","18:00:00",""
"4517068","7.5206","0.0004","8.8938","0.0004","10.1311","0.0006","76.016","0.002","86.818","0.003","83.775","0.002","653.37","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1287","0.0527","","","0.0932","0.1167","","","","","","1.003","","","","has coordinates,has disorder","239725","2020-10-21","18:00:00",""
"4517069","7.4924","0.0003","8.8522","0.0004","10.1725","0.0005","76.232","0.002","86.916","0.002","84.121","0.001","651.55","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0815","0.0601","","","0.0916","0.1018","","","","","","1.085","","","","has coordinates,has disorder","239726","2020-10-21","18:00:00",""
"4517070","7.4171","0.0002","8.5537","0.0003","10.4144","0.0003","77.547","0.001","86.928","0.001","87.005","0.001","643.69","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0634","0.0452","","","0.1088","0.121","","","","","","1.019","","","","has coordinates,has disorder","239727","2020-10-21","18:00:00",""
"4517071","7.4528","0.0003","8.6771","0.0003","10.316","0.0004","77.061","0.002","86.974","0.002","85.713","0.002","647.92","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0997","0.0458","","","0.0952","0.1166","","","","","","1.009","","","","has coordinates,has disorder","239728","2020-10-21","18:00:00",""
"4517072","7.4994","0.0004","8.8416","0.0004","10.1705","0.0005","76.24","0.002","86.882","0.002","84.146","0.002","651.29","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1448","0.0487","","","0.0773","0.0984","","","","","","0.934","","","","has coordinates,has disorder","239729","2020-10-21","18:00:00",""
"4517073","7.5078","0.0002","8.888","0.0003","10.1325","0.0003","76.029","0.001","86.784","0.001","83.779","0.001","651.96","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0853","0.0509","","","0.1075","0.1256","","","","","","1.051","","","","has coordinates,has disorder","239730","2020-10-21","18:00:00",""
"4517075","7.519","0.005","8.898","0.005","10.122","0.005","76.022","0.005","86.781","0.005","83.761","0.005","652.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71069","MoKα","","0.1155","0.0557","","","0.0965","0.1208","","","","","","1.104","","","","has coordinates,has disorder","239732","2020-10-21","18:00:00",""
"4517147","6.326","0.0003","10.0783","0.0004","12.7658","0.0005","69.309","0.002","86.674","0.002","77.439","0.002","743.01","0.06","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","2","","Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R.","Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts","ACS Catalysis","2019","","","51","","10.1021/acscatal.9b03874","","","1.54178","CuKα","","0.0475","0.0461","","","0.1288","0.1308","","","","","","1.054","","","","has coordinates","243786","2020-10-21","18:00:00",""
"4517162","12.2076","0.0007","12.7468","0.0007","16.7154","0.0009","75.2715","0.0007","69.3507","0.0007","63.0204","0.0006","2155.2","0.2","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C53 H44 Cl Fe N O3 S -","- C53 H44 Cl Fe N O3 S -","- C106 H88 Cl2 Fe2 N2 O6 S2 -","2","2","","Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi","Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis","ACS Catalysis","2019","","","292","","10.1021/acscatal.9b04438","","","0.71073","MoKα","","0.0479","0.043","","","0.1107","0.1148","","","","","","1.034","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4517201","5.7858","0.0003","8.6281","0.0004","15.0315","0.0007","102.014","0.002","92.9","0.002","92.926","0.002","731.55","0.06","173","2","173.15","","","","","","","","","5","P 1","P 1","1","","","","- C37 H26 N2 O4 S2 -","- C37 H26 N2 O4 S2 -","- C37 H26 N2 O4 S2 -","1","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0396","0.0347","","","0.0869","0.0921","","","","","","1.001","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517244","7.7759","0.0018","11.885","0.003","12.078","0.003","63.389","0.007","79.307","0.007","73.274","0.007","953.7","0.4","","","","","","","","","","","","4","P 1","P 1","1","","","","- C48 H46 N2 O -","- C48 H46 N2 O -","- C48 H46 N2 O -","1","1","","Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian","Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17545","","","","","","0.204","","","","","","","","","","","","","","","has coordinates","245452","2020-10-21","18:00:00",""
"4517340","5.7494","0.0006","9.6543","0.001","10.4417","0.0011","100.704","0.002","91.306","0.002","94.062","0.002","567.68","0.1","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H22 N O7 P -","- C25 H22 N O7 P -","- C25 H22 N O7 P -","1","1","","Trost, Barry M.; Shinde, Anand H.; Wang, Youliang; Zuo, Zhijun; Min, Chang","Palladium-Catalyzed Regio-, Enantio-, and Diastereoselective Asymmetric [3 + 2] Cycloaddition Reactions: Synthesis of Chiral Cyclopentyl Phosphonates","ACS Catalysis","2020","","","1969","1975","10.1021/acscatal.9b05073","","","1.54178","CuKα","","0.0772","0.0649","","","0.1898","0.2359","","","","","","1.221","","","","has coordinates","257053","2020-10-21","18:00:00",""
"4517395","10.9657","0.0008","14.7551","0.0012","16.165","0.0012","102.59","0.0017","97.3713","0.0016","101.976","0.002","2455.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","1","1","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.08","0.0611","","","0.1464","0.1567","","","","","","1.063","","","","has coordinates,has disorder","247995","2020-10-21","18:00:00",""
"4517407","7.9413","0.0013","7.9555","0.0013","8.0755","0.0013","81.685","0.006","63.54","0.005","72.764","0.005","436.18","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","1","1","","Chiou, Wen-Hua; Hsu, Kuo-Hsun; Huang, Wen-Wei","Rh-Catalyzed Hydroformylation-Initiated Bicyclization: Construction of Azabicyclic Systems.","ACS omega","2020","5","7","3717","3724","10.1021/acsomega.9b04400","","x-ray","0.71073","MoKα","","0.074","0.056","","","0.117","0.1313","","","","","","0.946","","","","has coordinates","248696","2020-10-21","18:00:00",""
"4517465","6.8163","0.0001","9.5313","0.0002","15.3468","0.0002","73.148","0.002","77.834","0.001","89.575","0.002","931.27","0.03","90","2","90","2","","","","","","","","5","P 1","P 1","1","8","8","","- C38 H55 Cl N4 O5 -","- C38 H55 Cl N4 O5 -","- C38 H55 Cl N4 O5 -","1","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54184","CuKα","","0.0429","0.042","","","0.1122","0.1136","","","","","","1.053","","","","has coordinates","249129","2020-10-21","18:00:00",""
"4517598","7.7639","0.0011","9.7745","0.0015","16.044","0.003","90.123","0.007","96.248","0.006","112.826","0.006","1114.2","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","1375_diff_tol","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C46 H56 N4 O4 S2 -","2","2","","Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José","Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation","ACS Catalysis","2020","10","9","5335","5346","10.1021/acscatal.0c01413","","","0.71073","MoKα","","0.1243","0.0517","","","0.1085","0.143","","","","","","1.017","","","","has coordinates","257011","2020-10-21","18:00:00",""
"4517675","3.9941","0.0003","6.9994","0.0005","7.9791","0.0006","76.766","0.002","76.857","0.003","79.825","0.003","209.62","0.03","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C3 H6 N10 O3 -","- C3 H6 N10 O3 -","- C3 H6 N10 O3 -","1","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0616","0.0417","","","0.0856","0.0956","","","","","","1.02","","","","has coordinates","252133","2020-10-21","18:00:00",""
"4517753","8.3394","0.0003","9.2251","0.0003","10.2483","0.0003","112.584","0.003","102.063","0.003","99.352","0.003","685.68","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C13 H14 Cl2 N2 O2 -","- C13 H14 Cl2 N2 O2 -","- C26 H28 Cl4 N4 O4 -","2","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0866","0.0873","","","","","","1.048","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517774","5.2215","0.0013","7.9597","0.0019","23.385","0.006","87.72","0.008","86.471","0.008","89.947","0.007","969.3","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C21 H17 Br2 N O2 S -","- C21 H17 Br2 N O2 S -","- C42 H34 Br4 N2 O4 S2 -","2","2","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","","0.71073","MoKα","","0.1","0.0875","","","0.2155","0.228","","","","","","1.032","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4518020","9.6954","0.0002","10.1078","0.0004","22.4793","0.0008","97.438","0.003","97.121","0.002","90.238","0.002","2167.11","0.13","100","0.5","100","0.5","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 Br O2 -","- C27 H25 Br O2 -","- C108 H100 Br4 O8 -","4","4","","McLeod, David; Izzo, Joseph A.; Jørgensen, Danny K. B.; Lauridsen, Rune F.; Jørgensen, Karl Anker","Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition","ACS Catalysis","2020","","","10784","","10.1021/acscatal.0c03378","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1109","0.1128","","","","","","1.051","","","","has coordinates","256256","2020-10-21","18:00:00",""
"4518045","5.6074","0.0002","10.999","0.0004","11.5162","0.0004","70.359","0.003","87.896","0.003","80.916","0.003","660.45","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","1","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","","0.0345","0.0343","","","0.0943","0.0945","","","","","","1.029","","","","has coordinates","257074","2020-10-21","18:00:00",""
"4518048","10.4971","0.0003","16.3367","0.0005","19.0994","0.0005","84.845","0.001","76.776","0.001","86.857","0.001","3173.59","0.16","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","1","1","","Guo, Meng-Yue; Li, Peng; Yang, Shuai-Liang; Bu, Ran; Piao, Xian-Qing; Gao, En-Qing","Distinct and Selective Amine- and Anion-Responsive Behaviors of an Electron-Deficient and Anion-Exchangeable Metal-Organic Framework.","ACS applied materials & interfaces","2020","12","39","43958","43966","10.1021/acsami.0c14648","","","1.54178","CuKα","","0.0398","0.0377","","","0.0988","0.1006","","","","","","1.021","","","","has coordinates","256981","2020-10-21","18:00:00",""
"4518131","9.9179","0.0003","11.9722","0.0003","13.8685","0.0004","93.109","0.001","92.712","0.001","91.78","0.001","1641.53","0.08","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H32 N2 Pt S2 -","- C42 H32 N2 Pt S2 -","- C84 H64 N4 Pt2 S4 -","2","2","","Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M.","Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties.","ACS omega","2020","5","41","26855","26863","10.1021/acsomega.0c03993","","","0.71073","MoKα","","0.0366","0.0322","","","0.0733","0.076","","","","","","1.035","","","","has coordinates","258698","2020-11-04","01:16:22",""
"4518176","12.8158","0.0002","12.8715","0.0002","17.2525","0.0003","80.155","0.001","89.504","0.001","66.413","0.001","2564.14","0.08","150","","150","","","","","","","","","9","P 1","P 1","1","","","","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","1","1","","Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.","Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability","ACS Catalysis","2020","","","13019","13030","10.1021/acscatal.0c03784","","","1.5418","CuKα","","0.0869","0.0865","","0.2306","0.2298","0.2306","","","","","","1.1545","","","","has coordinates,has disorder","258584","2020-10-23","21:25:04",""
"4518189","6.5484","0.0006","7.2693","0.0006","21.261","0.002","85.041","0.003","84.946","0.003","89.943","0.003","1004.34","0.16","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H24 F16 -","- C56 H24 F16 -","- C56 H24 F16 -","1","1","","Huang, Yinjuan; Gong, Qiuyu; Ge, Jing; Tang, Pengpeng; Yu, Fei; Xiao, Lian; Wang, Zongrui; Sun, Handong; Yu, Jing; Li, Dong-Sheng; Xiong, Qihua; Zhang, Qichun","Green Grinding-Coassembly Engineering toward Intrinsically Luminescent Tetracene in Cocrystals.","ACS nano","2020","","","","","10.1021/acsnano.0c07416","","","0.71073","MoKα","","0.152","0.0704","","","0.1345","0.1754","","","","","","1.025","","","","has coordinates","258626","2020-10-29","22:50:56",""
"4518330","5.9005","0.0009","11.2726","0.0017","19.109","0.003","81.591","0.004","83.727","0.004","89.962","0.004","1249.7","0.3","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C20 H32 Cd Cl4 N2 -","- C20 H32 Cd Cl4 N2 -","- C40 H64 Cd2 Cl8 N4 -","2","2","","Li, Lin-Sui; Tan, Yu-Hui; Wei, Wen-Juan; Gao, Hong-Qiang; Tang, Yun-Zhi; Han, Xiao-Bo","Chiral Switchable Low-Dimensional Perovskite Ferroelectrics","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c19507","","","0.71073","MoKα","","0.0708","0.0563","","","0.1327","0.1467","","","","","","1.052","","","","has coordinates","260061","2020-12-21","22:13:01",""
"4518347","10.4116","0.0004","15.2831","0.0003","16.3622","0.0005","71.608","0.0013","89.077","0.0014","85.189","0.003","2461.74","0.13","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","1","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","","0.0726","0.0496","","","0.1037","0.1146","","","","","","1.017","","","","has coordinates","260177","2020-12-28","22:20:10",""
"4518537","8.317","0.0017","12.218","0.002","15.239","0.003","77.72","0.03","87.35","0.03","86.42","0.03","1509.3","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H25 Cl F2 N2 O4 -","- C40.4455 H24.891 Cl0.891 F2 N2 O4 -","- C80.891 H49.782 Cl1.782 F4 N4 O8 -","2","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.0785","0.0709","","","0.2042","0.2113","","","","","","1.097","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518551","7.3043","0.0005","11.8154","0.0008","12.0064","0.0006","67.444","0.006","87.953","0.005","88.503","0.005","956.23","0.11","293","","293","","","","","","","","","4","P 1","P 1","1","-Epicatechin","(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","","- C38 H42 N4 O21 -","- C38 H42 N4 O21 -","- C38 H42 N4 O21 -","1","1","","Budziak-Wieczorek, Iwona; Maciołek, Urszula","Synthesis and Characterization of a (−)-Epicatechin and Barbituric Acid Cocrystal: Single-Crystal X-ray Diffraction and Vibrational Spectroscopic Studies","ACS Omega","2021","6","12","8199","8209","10.1021/acsomega.0c06239","","","1.54184","CuKα","","0.067","0.0593","","","0.1554","0.1779","","","","","","1.08","","","","has coordinates","263589","2021-04-04","09:59:46",""
"4518668","9.7726","0.0009","12.1642","0.0011","16.4042","0.0015","94.461","0.003","102.259","0.004","105.75","0.003","1814.9","0.3","153","","153","","","","","","","","","5","P 1","P 1","1","","","","- C24 H16.5 Br N O1.25 -","- C24 H16.5 Br N O1.25 -","- C96 H66 Br4 N4 O5 -","4","4","","Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei","Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles","ACS Catalysis","2021","","","4929","4935","10.1021/acscatal.1c01052","","","1.54178","CuKα","","0.0884","0.0766","","","0.2335","0.241","","","","","","1.04","","","","has coordinates","264786","2021-05-03","19:20:43",""
"4518766","6.9069","0.0002","7.5708","0.0002","15.0339","0.0004","89.354","0.001","84.929","0.001","87.912","0.001","782.51","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H20 O -","- C21 H20 O -","- C42 H40 O2 -","2","2","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","1.54178","CuKα","","0.041","0.0388","","","0.103","0.1058","","","","","","1.053","","","","has coordinates","265726","2021-06-03","19:12:23",""
"4518855","6.3512","0.0005","15.7186","0.0013","17.6114","0.0017","95.974","0.007","99.576","0.007","94.985","0.007","1714.5","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H15 F3 N0 O0 -","- C22 H15 F3 -","- C88 H60 F12 -","4","4","","Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe","Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes","ACS Catalysis","2021","","","8527","8537","10.1021/acscatal.1c01483","","","0.71073","MoKα","","0.1254","0.0544","","","0.116","0.1529","","","","","","1.005","","","","has coordinates","266938","2021-07-03","19:32:54",""
"4518970","7.2482","0.0003","9.4977","0.0004","16.211","0.0007","81.234","0.004","84.074","0.003","68.141","0.004","1022.33","0.08","113.15","","113.15","","","","","","","","","6","P 1","P 1","1","","","","- C20 H28 N O2 P Si -","- C20 H28 N O2 P Si -","- C40 H56 N2 O4 P2 Si2 -","2","2","","Zhang, Hongpeng; Zhao, Dongbing","Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold","ACS Catalysis","2021","","","10748","10753","10.1021/acscatal.1c03112","","x-ray","0.71073","MoKα","","0.0353","0.0333","","","0.0834","0.0852","","","","","","1.051","","","","has coordinates","268402","2021-09-03","19:34:16",""
"4519056","8.852","0.0008","12.885","0.0011","13.9065","0.0012","77.061","0.003","87.047","0.003","72.519","0.003","1474.3","0.2","200","2","200","","","","","","","","","5","P 1","P 1","1","","","","- C64 H64 Cl3 N3 O9 -","- C64 H64 Cl3 N3 O9 -","- C64 H64 Cl3 N3 O9 -","1","1","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","1.54178","CuKα","","0.0489","0.0478","","","0.1286","0.1301","","","","","","1.035","","","","has coordinates,has disorder","269478","2021-10-03","19:49:11",""
"4519137","6.8606","0.0002","10.2852","0.0003","12.7298","0.0004","85.7031","0.0008","87.599","0.0008","71.4424","0.0008","848.99","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H18.12 N2 O6.06 -","- C20 H18.119 N2 O6.0595 -","- C40 H36.238 N4 O12.119 -","2","2","","Kafle, Prapti; Sanghavi, Rishabh; Khasbaatar, Azzaya; Punjani, Samdisha; Davies, Daniel W.; Diao, Ying","Drastic Modulation of Molecular Packing and Intrinsic Dissolution Rates by Meniscus-Guided Coating of Extremely Confined Pharmaceutical Thin Films.","ACS applied materials & interfaces","2021","13","47","56519","56529","10.1021/acsami.1c08398","","","0.71073","MoKα","","0.035","0.0326","","","0.0845","0.0864","","","","","","1.048","","","","has coordinates","271018","2021-12-03","20:09:12",""
"4519241","7.8207","0.0004","8.7434","0.0005","12.0792","0.0007","103.452","0.001","90.191","0.002","108.144","0.001","760.8","0.07","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","2","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0297","0.0296","","","0.0802","0.0804","","","","","","1.07","","","","has coordinates","271737","2022-01-03","20:57:51",""
"4519251","11.2477","0.0007","11.2911","0.0007","11.5245","0.0007","85.163","0.004","69.406","0.003","65.577","0.003","1244.26","0.14","233","2","233","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","2","","Hirose, Jumpei; Wakikawa, Takumi; Satake, Shun; Kojima, Masahiro; Hatano, Manabu; Ishihara, Kazuaki; Yoshino, Tatsuhiko; Matsunaga, Shigeki","Cp*RhIII/Chiral Disulfonate/CuOAc Catalyst System for the Enantioselective Intramolecular Oxyamination of Alkenes","ACS Catalysis","2021","11","24","15187","15193","10.1021/acscatal.1c04699","","","1.5418","CuKα","","0.0396","0.0377","","","0.1048","0.1062","","","","","","1.062","","","","has coordinates","271746","2022-01-03","21:02:16",""
"4519288","9.1912","0.0007","12.9247","0.0008","18.6126","0.0005","97.232","0.004","97.041","0.005","109.612","0.006","2033.8","0.2","274","30","274","30","","","","","","","","6","P 1","P 1","1","","","","- C20 H21 F2 N O3 Si -","- C20 H21 F2 N O3 Si -","- C80 H84 F8 N4 O12 Si4 -","4","4","","Fang, Xiaowu; Wen, Songwei; Jin, Peishen; Bao, Wenjing; Liu, Shanshan; Cong, Hengjiang; Shen, Xiao","Synthesis of Enantioenriched Fluorinated Enol Silanes Enabled by Asymmetric Reductive Coupling of Fluoroalkylacylsilanes and 1,3-Enynes and Brook Rearrangement","ACS Catalysis","2022","","","2150","2157","10.1021/acscatal.2c00100","","x-ray","1.54184","CuKα","","0.2528","0.1285","","","0.3256","0.4322","","","","","","1.138","","","","has coordinates","272458","2022-02-03","20:36:56",""
"5000111","14.172","0.007","34.209","0.018","10.481","0.005","94.64","0.04","90.67","0.04","96.32","0.04","5032.77","","","","","","","","","","","","","3","P 1","P 1","1","","","","- C27 H46 O -","- C27 O -","- C216 O8 -","8","8","","Shieh, H.-S.; Hoard, L. G.; Nordman, C. E.","The structure of cholesterol","Acta Crystallographica Section B","1981","37","8","1538","1543","10.1107/S0567740881006523","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000257","8.79","0.04","9.02","0.04","9.51","0.04","106.85","0.25","88.02","0.25","96.38","0.25","717.16","","","","","","","","","","","","","5","P 1","P 1","1","","","","- C11 H18 Br N3 O8 -","- C11 Br N3 O8 -","- C22 Br2 N6 O16 -","2","2","","Furusaki, Akio; Tomiie, Yujiro; Nitta, Isamu","The Crystal and Molecular Structure of Tetrodotoxin Hydrobromide","Bulletin of the Chemical Society of Japan","1970","43","11","3332","3341","10.1246/bcsj.43.3332","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000176","9.134","","10.085","","12.691","","73.52","","86.05","","76.43","","1089.72","","","","","","","","","","","","","4","P 1","","","","","","- Cd Mn3 Sn Te4 -","","","","","","Zheng, C.; Wang, R. J.","Synthesis of the one dimensional telluride: [Mn(en)(3)]CdSnTe4(I) and its semiconductor characteristics","Chinese Journal of Inorganic Chemistry","1999","15","","661","666","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000267","34.33","","7.8","","7.25","","103.69","","89.86","","94.12","","1881.12","","","","","","","","","","","","","5","P 1","","","","","","- C68 H144 Cr2 N2 O7 -","","","","","","Fosse, N.; Brohan, L.","Thermal and structural investigations of the bis-dihexadecyldimethylammonium dichromate","Journal of Solid State Chemistry","1999","145","","655","667","10.1006/jssc.1999.8277","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000468","5.393","","9.813","","19.285","","80.67","","88.78","","89.86","","1006.86","","","","","","","","","","","","","7","P 1","","","","","","- C24 H60 F4 Ga4 N4 O16 P4 -","","","","","","Sassoye, C.; Loiseau, T.; Ferey, G.","Hydrothermal synthesis and crystal structure of a novel layered fluorinated gallium phosphate intercalating 1,12-diaminododecane Ga-4(PO4)(4)F-4.N4C24H60 (MIL-35)","Journal of Fluorine Chemistry","2001","107","","187","192","10.1016/S0022-1139(00)00357-2","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000774","6.251","","6.258","","8.065","","112.85","","112.86","","89.93","","263.71","","","","","","","","","","","","","6","P 1","","","","","","- H8 Mg0.72 O14 P2 V2 Zn0.28 -","","","","","","Le, Fur E; Pivan, J. Y.","Synthesis and crystal structure of the new zinc-magnesium vanadium(IV) phosphate hydrate Mg((1-x))Znx(VOPO4)(2) .4H(2)O (x similar to 0.28)","Materials Research Bulletin","1999","34","","1117","1127","10.1016/S0025-5408(99)00096-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000115","7.715","0.004","8.887","0.006","9.361","0.006","83.77","0.03","88.29","0.02","75.93","0.03","618.9","0.7","158.2","","","","","","","","","","","6","P 1","P 1","1","","","","- C28 H29 Cl Cu N3 O4 -","- C28 H29 Cl Cu N3 O4 -","- C28 H29 Cl Cu N3 O4 -","1","1","","Osako, Takao; Terada, Shohei; Tosha, Takehiko; Nagatomo, Shigenori; Furutachi, Hideki; Fujinami, Shuhei; Kitagawa, Teizo; Suzuki, Masatatsu; Itoh, Shinobu","Structure and dioxygen-reactivity of copper(I) complexes supported by bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3514","3521","10.1039/b500202h","","","0.7107","MoKα","","","0.058","","","","0.063","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000138","9.1219","0.0003","9.5962","0.0003","11.469","0.0005","77.4552","0.0014","66.6665","0.0016","70.856","0.002","866.44","0.06","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2 -","- C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2 -","- C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2 -","1","1","","Boldron, Christophe; Ozalp-Yaman, Seniz; Gamez, Patrick; Tooke, Duncan M.; Spek, Anthony L.; Reedijk, Jan","Selective copper(II)-mediated oxidative coupling of a nucleophilic reagent to the para-methyl group of 2,4,6-trimethylphenol.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3535","3541","10.1039/b507199b","","","0.71073","MoKα","","0.0759","0.0508","","","0.1212","0.1332","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000914","10.654","0.002","16.644","0.004","8.954","0.0011","94.66","0.02","101.42","0.02","78.65","0.02","1524.4","0.5","295","2","295","2","","","","","","","","6","P 1","P 1","1","Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''- terpyridine) cobalt(ii) bis(thiocyanate)","Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine] cobalt(II) bis(thiocyanate)","","- C62 H62 Co N8 O12 S2 -","- C62 H62 Co N8 O12 S2 -","- C62 H62 Co N8 O12 S2 -","1","1","","Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine","Dalton Transactions","2009","","14","2482","2489","10.1039/b819805e","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.3442","","","","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000916","12.674","0.002","12.833","0.002","13.256","0.003","67.047","0.011","62.366","0.011","87.686","0.012","1732.6","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","((4'-(4'''-Benzo-15-crown-5-sodium thiocyanate)-methyloxy- 2,2':6',2''-terpyridine) (4'-(4'''-benzo-15-crown-5-sodium dithiocyanate)-methyloxy-2,2':6',2''-terpyridine)) copper(ii) thiocyanate acetonitrile","{[4'-(4'''-Benzo-15-crown-5-sodium thiocyanate)- methyloxy-2,2':6',2''-terpyridine] [4'-(4'''-benzo-15-crown-5-sodium dithiocyanate)-methyloxy-2,2':6',2''- terpyridine]} copper(II) thiocyanate acetonitrile","","- C66 H65 Cu N11 Na2 O12 S4 -","- C66 H65 Cu N11 Na2 O12 S4 -","- C66 H65 Cu N11 Na2 O12 S4 -","1","1","","Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine","Dalton Transactions","2009","","14","2482","2489","10.1039/b819805e","","","0.71073","MoKα","","0.2783","0.1571","","","0.3578","0.4319","","","","","","1.043","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001105","9.3421","0.0014","10.3691","0.0015","15.427","0.002","77.133","0.002","89.628","0.002","80.524","0.002","1436.3","0.4","186","2","186","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H56 F12 N8 P2 Ru -","- C62 H56 F12 N8 P2 Ru -","- C62 H56 F12 N8 P2 Ru -","1","1","","Qiu, Dongfang; Cheng, Yanxiang; Wang, Lixiang","Oligoaniline-Functionalized terpyridine ligands and their ruthenium(II) complexes: synthesis, spectroscopic property and redox behavior","Dalton Transactions","2009","","17","3247","3261","10.1039/b820392j","","","0.71073","MoKα","","0.0697","0.0593","","","0.1047","0.11","","","","","","1.008","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001242","9.4036","0.0002","10.1503","0.0002","11.0179","0.0003","102.777","0.001","104.675","0.001","91.046","0.001","989.07","0.04","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H28 Fe O3 Si -","- C19 H28 Fe O3 Si -","- C38 H56 Fe2 O6 Si2 -","2","2","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0486","0.039","","","0.0919","0.0979","","","","","","1.019","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001314","13.356","0.003","13.718","0.003","15.206","0.003","63.6","0.03","65.94","0.03","70.16","0.03","2235.7","1.1","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C70 H58 Ag5 Al N14 O41 W12 -","- C70 H56 Ag5 Al N14 O40 W12 -","- C70 H56 Ag5 Al N14 O40 W12 -","1","1","","Yuan, Ling; Qin, Chao; Wang, Xinlong; Li, Yangguang; Wang, Enbo","A series of novel organic‒inorganic hybrids based on α-[AlW12O40]5− polyoxoanions and transition-metal organoamine complexes","Dalton Transactions","2009","","21","4169","4175","10.1039/b818535b","","","0.71073","MoKα","","0.051","0.0479","","","0.1176","0.1191","","","","","","1.106","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001320","7.0419","0.0015","7.612","0.002","7.6259","0.0015","111.166","0.01","112.45","0.01","98.639","0.015","332.04","0.14","120","2","120","2","","","","","","","","5","P 1","P 1","1","","tetrabromo(1,2-bis(methylthio)ethane-S,S')tellurium(IV)","","- C4 H10 Br4 S2 Te -","- C4 H10 Br4 S2 Te -","- C4 H10 Br4 S2 Te -","1","1","","Gurnani, Chitra; Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Preparation and structures of tellurium(iv) halide complexes with thioether coordination","Dalton Transactions","2009","","21","4122","4128","10.1039/b902771h","","","0.71073","MoKα","","0.0285","0.0283","","","0.072","0.0723","","","","","","0.968","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001511","8.7961","0.0002","15.7706","0.0003","16.0927","0.0003","86.266","0.002","87.872","0.002","80.465","0.002","2196.07","0.08","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H56 F4 Fe2 N2 S6 -","- C40 H56 F4 Fe2 N2 S6 -","- C80 H112 F8 Fe4 N4 S12 -","2","2","","Ballmann, Joachim; Sun, Xianru; Dechert, Sebastian; Schneider, Benjamin; Meyer, Franc","A convenient ligand exchange pathway to [2Fe‒2S] ferredoxin analogues","Dalton Transactions","2009","","25","4908","4917","10.1039/b901242g","","","0.71073","MoKα","","0.0277","0.0252","","","0.0587","0.0593","","","","","","1.005","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001515","7.065","0.0015","11.775","0.003","12.662","0.004","75.809","0.002","87.723","0.002","75.301","0.002","987.5","0.5","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H22 Cu N4 O10 -","- C17 H16 Cu N4 O10 -","- C34 H32 Cu2 N8 O20 -","2","2","","Biswas, Chaitali; Drew, Michael G. B.; Estrader, Marta; Ghosh, Ashutosh","Copper(II) complexes of mono-anionic glutamate: anionic influence in the variations of molecular and supramolecular structures","Dalton Transactions","2009","","25","5015","5022","10.1039/b906015d","","","0.71073","MoKα","","0.0858","0.0793","","","0.2157","0.2201","","","","","","1.056","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001837","9.354","0.002","9.495","0.002","11.39","0.002","69.85","0.017","68.533","0.016","76.593","0.019","877.3","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H51 N3 P2 Pd S -","- C31 H51 N3 P2 Pd S -","- C31 H51 N3 P2 Pd S -","1","1","","Lee, Kyung-Eun; Jeon, Hyeong-Tak; Han, Sam-Yong; Ham, Jungyeob; Kim, Yong-Joo; Lee, Soon W.","Cyclopalladated azido complexes containing C,N-donor (HCσim N = 2-(2′-thienyl)pyridine, azobenzene, 3,3′-dimethyl azobenzene, N,N′-dimethylbenzylamine, 2-phenylpyridine) ligands: reactivity towards organic unsaturated compounds and catalytic properties","Dalton Transactions","2009","","33","6578","6592","10.1039/b907324h","","","0.71073","MoKα","","0.0288","0.0277","","","0.0693","0.0703","","","","","","1.042","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7002146","5.9474","0.0004","7.1604","0.0004","9.0734","0.0005","100.959","0.001","107.771","0.001","107.143","0.001","334.54","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H13 N O6 Zn -","- C11 H13 N O6 Zn -","- C11 H13 N O6 Zn -","1","1","","Anselmo, Daniele; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Kleij, Arjan W.","Assembly of unusual Zn-cluster compounds based on pyridinealcohol platforms","Dalton Transactions","2009","","36","7368","7373","10.1039/b901394f","","","0.71073","MoKα","","0.0284","0.0284","","","0.0727","0.0728","","","","","","1.049","","","","has coordinates","288243","2023-12-12","09:57:14",""
"7002165","6.6903","0.0001","7.6776","0.0002","8.7851","0.0002","84.411","0.002","88.645","0.002","79.218","0.001","441.17","0.017","173","2","173","2","","","","","","","synthesis as described","6","P 1","P 1","1","MM-69 (tol/hexano) en P-1","","","- C16 H6 Au Cu F10 N2 -","- C16 H6 Au Cu F10 N2 -","- C16 H6 Au Cu F10 N2 -","1","1","","Fernández, Eduardo J.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María","Unsupported Au(i)⋯Cu(i) interactions: influence of nitrile ligands and aurophilicity on the structure and luminescence","Dalton Transactions","2009","","36","7509","7518","10.1039/b900768g","","x-ray","0.71073","MoKα","","0.0425","0.0389","","","0.0891","0.092","","","","","","1.05","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002442","10.2385","0.0004","10.2705","0.0004","17.2053","0.0007","84.804","0.002","82.038","0.002","61.151","0.001","1568.82","0.11","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H94 Cl6 N4 O2 Pd2 S4 -","- C51 H94 Cl6 N4 O2 Pd2 S4 -","- C51 H94 Cl6 N4 O2 Pd2 S4 -","1","1","","Iglesias-Sigüenza, Javier; Ros, Abel; Díez, Elena; Magriz, Antonio; Vázquez, Arcadio; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","C2-Symmetric S/C/S ligands based on N-heterocyclic carbenes: a new ligand architecture for asymmetric catalysis","Dalton Transactions","2009","","40","8485","8488","10.1039/b910846g","","","0.71073","MoKα","","0.0473","0.0414","","","0.0937","0.0977","","","","","","1.027","","","","has coordinates","209610","2020-10-21","18:00:00",""
"7002573","11.2074","0.0012","13.4571","0.0014","13.6547","0.0015","63.139","0.002","83.317","0.002","83.465","0.002","1820.3","0.3","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H55 Al O3 S2 -","- C38 H55 Al O3 S2 -","- C76 H110 Al2 O6 S4 -","2","2","","Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun","Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity","Dalton Transactions","2009","","41","9033","9042","10.1039/b909287k","","","0.71073","MoKα","","0.0559","0.052","","","0.1272","0.1306","","","","","","1.052","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002574","11.5414","0.0014","13.1745","0.0017","14.3165","0.0018","101.682","0.002","105.577","0.002","115.481","0.002","1761.8","0.4","130","2","130","2","","","","","","","","8","P 1","P 1","1","","","","- C63 H73 Al B Cl4 F15 O4 S2 -","- C63 H73 Al B Cl4 F15 O4 S2 -","- C63 H73 Al B Cl4 F15 O4 S2 -","1","1","","Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun","Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity","Dalton Transactions","2009","","41","9033","9042","10.1039/b909287k","","","0.71073","MoKα","","0.1757","0.0958","","","0.2222","0.2723","","","","","","1.001","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002899","9.5068","0.0019","14.029","0.003","17.803","0.004","83.56","0.03","89.28","0.04","84.18","0.03","2347.3","0.9","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C99 H96 Eu2 F6 N12 O19 S2 -","- C99 H96 Eu2 F6 N12 O19 S2 -","- C99 H96 Eu2 F6 N12 O19 S2 -","1","1","","Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Wong, Wai-Kwok","Syntheses, structures, and photoluminescence of 1-D lanthanide coordination polymers","Dalton Transactions","2009","","47","10505","10510","10.1039/b910588c","","","0.71073","MoKα","","0.1153","0.0727","","","0.1848","0.2242","","","","","","1.109","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002900","9.5105","0.0019","14.286","0.003","17.87","0.004","82.99","0.03","89.68","0.04","83.67","0.03","2395","0.9","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C99 H96 F6 N12 Nd2 O19 S2 -","- C99 H96 F6 N12 Nd2 O19 S2 -","- C99 H96 F6 N12 Nd2 O19 S2 -","1","1","","Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Wong, Wai-Kwok","Syntheses, structures, and photoluminescence of 1-D lanthanide coordination polymers","Dalton Transactions","2009","","47","10505","10510","10.1039/b910588c","","","0.71073","MoKα","","0.1185","0.0737","","","0.1771","0.2076","","","","","","1.114","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7002901","9.3209","0.0019","14","0.003","17.577","0.004","84.07","0.03","89.09","0.04","84.48","0.03","2270.8","0.9","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C99 H96 Er2 F6 N12 O19 S2 -","- C99 H96 Er2 F6 N12 O19 S2 -","- C99 H96 Er2 F6 N12 O19 S2 -","1","1","","Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Wong, Wai-Kwok","Syntheses, structures, and photoluminescence of 1-D lanthanide coordination polymers","Dalton Transactions","2009","","47","10505","10510","10.1039/b910588c","","","0.71073","MoKα","","0.1117","0.0681","","","0.1594","0.1853","","","","","","1.1","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7003629","10.1219","0.0018","10.4665","0.0019","10.5068","0.0019","115.346","0.003","115.601","0.003","94.383","0.003","859.3","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H34 Co3 O6 P3 -","- C31 H34 Co3 O6 P3 -","- C31 H34 Co3 O6 P3 -","1","1","","Moberg, Viktor; Mottalib, M. Abdul; Sauer, Désirée; Poplavskaya, Yulia; Craig, Donald C.; Colbran, Stephen B.; Deeming, Antony J.; Nordlander, Ebbe","Chiral and achiral phosphine derivatives of alkylidyne tricobalt carbonyl clusters as catalyst precursors for (asymmetric) inter- and intramolecular Pauson‒Khand reactions","Dalton Transactions","2008","","18","2442","2453","10.1039/b717698h","","","0.71073","MoKα","","0.0572","0.044","","","0.0802","0.0884","","","","","","0.986","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7004214","10.656","0.0009","11.098","0.001","11.793","0.001","115.967","0.008","107.976","0.011","94.79","0.007","1153","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H74 N6 Ni O10 -","- C42 H74 N6 Ni O10 -","- C42 H74 N6 Ni O10 -","1","1","","Rüffer, Tobias; Bräuer, Björn; Meva, François Eya'ane; Walfort, Bernhard","Transition metal induced derivatisations resulting in novel coordination behaviour of bis(oxamato) ligands","Dalton Transactions","2008","","37","5089","5098","10.1039/b804382e","","","0.71073","MoKα","","0.0548","0.0481","","","0.1217","0.1267","","","","","","1.018","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004746","7.5006","0.0006","10.1555","0.0007","11.3793","0.0009","72.374","0.006","88.638","0.006","90.841","0.005","825.64","0.11","295","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H36 N2 O12 -","- C38 H36 N2 O12 -","- C38 H36 N2 O12 -","1","1","","Chollet-Krugler, Marylène; Tomasi, Sophie; Uriac, Philippe; Toupet, Loic; van de Weghe, Pierre","Preparation and characterization of copper(ii) and nickel(ii) complexes of a new chiral salen ligand derived from (+)-usnic acid","Dalton Transactions","2008","","46","6524","6526","10.1039/b811589c","","","0.71069","MoKα","","0.0749","0.0361","","","0.0815","0.0883","","","","","","0.833","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005266","9.6645","0.0008","9.7425","0.0008","10.1365","0.0008","65.4","0.001","68.462","0.001","72.742","0.001","795.43","0.11","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C24 H35 F12 Ir N2 O2 Sb2 -","- C24 H35 F12 Ir N2 O2 Sb2 -","- C24 H35 F12 Ir N2 O2 Sb2 -","1","1","","Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Fernando J. Lahoz; Isabel T. Dobrinovitch; Luis A. Oro","Pentamethylcyclopentadienyl-iridium(iii) complexes with pyridylamino ligands: synthesis and applications as asymmetric catalysts for Diels?Alder reactions","Dalton Transactions","2007","","19","1911","","10.1039/b618720j","","","0.71073","MoKα","","0.0351","0.0338","","","0.0768","0.0776","","","","","","1.032","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005571","8.3231","0.0003","9.7685","0.0003","9.9897","0.0003","68.85","0.002","78.751","0.002","83.055","0.002","741.81","0.04","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H39 Cl2 N5 O2 -","- C25 H39 Cl2 N5 O2 -","- C25 H39 Cl2 N5 O2 -","1","1","","Houghton, Jennifer; Dyson, Gavin; Douthwaite, Richard E.; Whitwood, Adrian C.; Kariuki, Benson M.","Structural variation, dynamics, and catalytic application of palladium(II) complexes of di-N-heterocyclic carbene-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","28","3065","3073","10.1039/b703248j","","","1.54178","CuKα","","0.0814","0.0781","","","0.1751","0.1796","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005757","7.2132","0.0002","8.9996","0.0003","10.936","0.0004","71.2063","0.0016","81.2558","0.0017","81.4946","0.0018","660.54","0.04","293","","293","","","","","","","","synthesis as described","5","P 1","P 1","1","(Co(N-acetyl-(-)-ephedrine)!2$).2H!2$O","[Co(N-acetyl-(-)-ephedrine)~2~].2H~2~O","","- C24 H36 Co N2 O8 -","- C24 H36 Co N2 O8 -","- C24 H36 Co N2 O8 -","1","1","","Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols","Dalton Transactions","2007","","37","4185","","10.1039/b705195f","","x-ray","0.71073","MoKα","","0.0346","0.0306","","0.0446","0.0369","0.0369","","","","","","1.0848","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005759","7.3617","0.0002","7.3785","0.0002","11.3521","0.0003","84.928","0.0013","75.9946","0.0014","84.7652","0.0012","594.4","0.03","293","","293","","","","","","","","synthesis as described","5","P 1","P 1","1","(Co(N-(-)-acetyl-phenylephrine)!2$).2H!2$O","[Co(N-(-)-acetyl-phenylephrine)~2~].2H~2~O","","- C22 H32 Co N2 O10 -","- C22 H32 Co N2 O10 -","- C22 H32 Co N2 O10 -","1","1","","Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols","Dalton Transactions","2007","","37","4185","","10.1039/b705195f","","x-ray","0.7107","MoKα","","0.0539","0.0361","","0.0596","0.0402","0.0402","","","","","","1.0054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005761","7.251","0.0002","8.9808","0.0003","10.9121","0.0004","70.355","0.0015","81.6001","0.0014","81.6535","0.0014","658.53","0.04","293","","293","","","","","","","","synthesis as described","5","P 1","P 1","1","(Ni(N-acetyl-(+)-ephedrine)!2$).2H!2$O","[Ni(N-acetyl-(+)-ephedrine)~2~].2H~2~O","","- C24 H36 N2 Ni O8 -","- C24 H36 N2 Ni O8 -","- C24 H36 N2 Ni O8 -","1","1","","Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols","Dalton Transactions","2007","","37","4185","","10.1039/b705195f","","x-ray","0.71073","MoKα","","0.0527","0.0462","","0.0672","0.0562","0.0562","","","","","","1.0838","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005762","7.2261","0.0003","8.9289","0.0003","10.9475","0.0004","70.6653","0.0016","81.6681","0.0014","82.4279","0.0017","656.81","0.04","293","","293","","","","","","","","synthesis as described","5","P 1","P 1","1","(Ni(N-acetyl-(-)-ephedrine)!2$).2H!2$O","[Ni(N-acetyl-(-)-ephedrine)~2~].2H~2~O","","- C24 H36 N2 Ni O8 -","- C24 H36 N2 Ni O8 -","- C24 H36 N2 Ni O8 -","1","1","","Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols","Dalton Transactions","2007","","37","4185","","10.1039/b705195f","","x-ray","0.7107","MoKα","","0.051","0.0367","","0.07","0.0414","0.0414","","","","","","1.0612","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005764","7.369","0.002","7.37","0.0019","11.279","0.003","76.023","0.014","85.64","0.02","84.945","0.018","591.2","0.3","293","","293","","","","","","","","","5","P 1","P 1","1","","[Ni(N-(-)-acetyl-phenylephrine)~2~].2H~2~O","","- C22 H32 N2 Ni O10 -","- C22 H32 N2 Ni O10 -","- C22 H32 N2 Ni O10 -","1","1","","Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols","Dalton Transactions","2007","","37","4185","","10.1039/b705195f","","","0.7107","MoKα","","0.0312","0.0304","","0.0429","0.0413","0.0413","","","","","","1.0076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005896","6.1225","0.0007","7.656","0.001","15.582","0.002","90.676","0.005","91.539","0.005","98.235","0.005","722.51","0.16","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C7 H18 Cl O7 P2 Rh -","- C7 H18 Cl O7 P2 Rh -","- C14 H36 Cl2 O14 P4 Rh2 -","2","2","","Lorenzini, Fabio; Patrick, Brian O.; James, Brian R.","Synthesis and X-ray structures of water-soluble tris(hydroxymethyl)phosphine complexes of rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2007","","30","3224","3226","10.1039/b706691k","","","0.71073","MoKα","","0.0454","0.0408","","","0.1145","0.1222","","","","","","1.04","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7006162","13.045","0.003","13.45","0.003","14.109","0.003","116.747","0.014","91.053","0.012","115.182","0.015","1931.9","0.9","203","2","203","2","","","","","","","","5","P 1","P 1","1","","AL-3-190 cyclohexanediamine bis(8-iPr-quinoline-1-CHO imine)","","- C33 H38 Cl6 N4 Zn2 -","- C33 H38 Cl6 N4 Zn2 -","- C66 H76 Cl12 N8 Zn4 -","2","2","","Prema, Dipesh; Wiznycia, Alexander V.; Scott, Benjamin M. T.; Hilborn, Jessica; Desper, John; Levy, Christopher J.","Dinuclear zinc(II) complexes of symmetric Schiff-base ligands with extended quinoline sidearms.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4788","4796","10.1039/b709454j","","","0.71073","MoKα","","0.3086","0.0985","","","0.1988","0.2738","","","","","","0.917","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006513","9.094","0.003","10.836","0.003","12.111","0.004","91.259","0.005","109.767","0.005","109.143","0.004","1049.1","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Mo N3 O6 -","- C18 H21 Mo N3 O6 -","- C36 H42 Mo2 N6 O12 -","2","2","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.0699","0.0509","","","0.1289","0.1427","","","","","","1.038","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006587","11.6777","0.001","15.3081","0.0014","15.8171","0.0014","103.645","0.01","109.925","0.01","110.641","0.01","2274.8","0.5","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C76.75 H82.75 Cl14.25 F12 Fe N6 P2 -","- C76.75 H82.75 Cl14.25 F12 Fe N6 P2 -","- C76.75 H82.75 Cl14.25 F12 Fe N6 P2 -","1","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.0792","0.0606","","","0.1474","0.1569","","","","","","0.961","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006588","11.8288","0.0011","15.465","0.0014","15.8323","0.0014","117.65","0.009","93.33","0.011","110.796","0.01","2309.9","0.5","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C77 H83 Cl15 F12 N6 P2 Ru -","- C77 H83 Cl15 F12 N6 P2 Ru -","- C77 H83 Cl15 F12 N6 P2 Ru -","1","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.0634","0.0612","","","0.165","0.167","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006590","11.5876","0.0007","15.649","0.0011","15.6557","0.0012","119.681","0.008","90.714","0.008","111.307","0.008","2232","0.4","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C72 H84 F12 N6 Os P2 -","- C72 H84 F12 N6 Os P2 -","- C72 H84 F12 N6 Os P2 -","1","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.0811","0.0724","","","0.1798","0.1862","","","","","","1.059","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006658","8.3011","0.0002","9.7422","0.0003","10.7146","0.0003","87.201","0.001","76.277","0.001","68.507","0.001","782.54","0.04","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H36 As Cl N O4 Rh -","- C32 H36 As Cl N O4 Rh -","- C32 H36 As Cl N O4 Rh -","1","1","","Meyer, Christian; Scherer, Markus; Schönberg, Hartmut; Rüegger, Heinz; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Coordination chemistry of phosphanyl amino acids: solid state and solution structures of neutral and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","137","148","10.1039/b512653c","","","0.71073","MoKα","","0.0486","0.0423","","","0.1046","0.1076","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007053","7.5269","0.0001","10.4241","0.0001","11.0236","0.0001","68.994","0.001","71.029","0.001","89.92","0.001","757.065","0.016","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H6 Ag N3 O3 -","- C5 H6 Ag N3 O3 -","- C20 H24 Ag4 N12 O12 -","4","4","","Abu-Youssef, Morsy A M; Langer, Vratislav; Ohrström, Lars","Synthesis, a case of isostructural packing, and antimicrobial activity of silver(I)quinoxaline nitrate, silver(I)(2,5-dimethylpyrazine) nitrate and two related silver aminopyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2542","2550","10.1039/b516723j","","","0.71073","MoKα","","0.0249","0.0233","","","0.0566","0.058","","","","","","1.024","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007127","9.9405","0.0003","10.2453","0.0003","11.2043","0.0003","96.56","0.002","101.49","0.001","100.415","0.001","1086.35","0.05","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H50 Cl2 Mn N2 P4 S4 -","- C37 H50 Cl2 Mn N2 P4 S4 -","- C37 H50 Cl2 Mn N2 P4 S4 -","1","1","","Maganas, Dimitrios; Staniland, Sarah S.; Grigoropoulos, Alexios; White, Fraser; Parsons, Simon; Robertson, Neil; Kyritsis, Panayotis; Pneumatikakis, Georgios","Structural, spectroscopic and magnetic properties of M[R2P(E)NP(E)R'2]2 complexes, M = Co, Mn, E = S, Se and R, R' = Ph or iPr. Covalency of M-S bonds from experimental data and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2301","2315","10.1039/b517938f","","","0.71073","MoKα","","0.0455","0.0421","","","0.1012","0.1035","","","","","","1.094","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007447","6.0773","0.0008","7.3465","0.001","9.7829","0.0016","102.253","0.008","91.961","0.009","109.728","0.008","399.1","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","1","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.0474","0.0435","","","0.1063","0.1084","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007500","8.0925","0.0005","12.2513","0.0011","14.9817","0.0011","91.958","0.004","98.528","0.003","96.609","0.004","1457.17","0.19","153.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","1","1","","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","","","0.0448","","","","0.107","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007502","6.612","0.004","12.23","0.006","14.089","0.007","77.465","0.01","82.337","0.014","88.386","0.016","1102.2","1","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C21 H32 Cu N2 O6 -","- C21 H32 Cu N2 O6 -","- C42 H64 Cu2 N4 O12 -","2","2","","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","","","0.0728","","","","0.1926","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007508","10.285","0.001","11.104","0.002","15.772","0.002","90.096","0.002","100.647","0.002","100.187","0.002","1741.2","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C66.8 H87.6 Cu2 N4 O10.2 -","- C66.8 H87.6 Cu2 N4 O10.2 -","- C66.8 H87.6 Cu2 N4 O10.2 -","1","1","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.0912","0.067","","","0.177","0.1971","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008087","7.648","0.004","13.115","0.006","20.574","0.01","97.69","0.007","97.919","0.008","94.406","0.008","2016","1.7","293","2","293","2","","","","","","","","7","P 1","P 1","1","","(2,2'-bipyridyl)(aqueo)(L-methioninato)copper(II)monoperchlorate","","- C15 H21 Cl Cu N3 O7.5 S -","- C15 H18 Cl Cu N3 O7.5 S -","- C60 H72 Cl4 Cu4 N12 O30 S4 -","4","4","","Patra, Ashis K.; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","Metal-assisted red light-induced DNA cleavage by ternary L-methionine copper(II) complexes of planar heterocyclic bases.","Dalton transactions (Cambridge, England : 2003)","2005","","5","896","902","10.1039/b416711b","","","0.71073","MoKα","","0.0492","0.0423","","","0.1068","0.1106","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008282","5.0564","0.0015","5.6297","0.0018","16.199","0.005","87.396","0.005","83.943","0.005","84.685","0.006","456.3","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","1","1","","Pope, Simon J. A.; Coe, Benjamin J.; Faulkner, Stephen; Laye, Rebecca H.","Metal-to-ligand charge-transfer sensitisation of near-infrared emitting lanthanides in trimetallic arrays M2Ln (M=Ru, Re or Os; Ln=Nd, Er or Yb).","Dalton transactions (Cambridge, England : 2003)","2005","","8","1482","1490","10.1039/b500849b","","","0.71073","MoKα","","0.0895","0.0716","","","0.1804","0.2006","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008768","10.398","0.002","10.654","0.002","14.201","0.003","102.53","0.03","108.39","0.03","105.77","0.03","1355.4","0.7","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C58 H87 N4 Tl -","- C58 H87 N4 Tl -","- C58 H87 N4 Tl -","1","1","","Jones, Cameron; Junk, Peter C.; Platts, Jamie A.; Rathmann, Daniel; Stasch, Andreas","Synthesis, characterisation and theoretical studies of amidinato-indium(I) and thallium(I) complexes: isomers of neutral group 13 metal(I) carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2497","2499","10.1039/b507242e","","","0.71073","MoKα","","0.0544","0.0525","","","0.1353","0.1377","","","","","","1.047","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008769","10.436","0.002","10.67","0.002","14.277","0.003","102.258","0.01","109.421","0.01","105.79","0.01","1360.1","0.5","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C58 H87 In N4 -","- C58 H87 In N4 -","- C58 H87 In N4 -","1","1","","Jones, Cameron; Junk, Peter C.; Platts, Jamie A.; Rathmann, Daniel; Stasch, Andreas","Synthesis, characterisation and theoretical studies of amidinato-indium(I) and thallium(I) complexes: isomers of neutral group 13 metal(I) carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2497","2499","10.1039/b507242e","","","0.71073","MoKα","","0.0681","0.0529","","","0.1175","0.1261","","","","","","1.033","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7009225","6.293","0.003","6.294","0.003","6.844","0.005","107.04","0.05","92.34","0.05","90.13","0.05","258.9","0.3","298","","","","","","","","","","","5","P 1","P 1","1","","","","- H8 Na O14 P2 V2 -","- Na O14 P2 V2 -","- Na O14 P2 V2 -","1","1","","Yamase, Toshihiro; Makino, Haruyo","Crystal and electronic structures and magnetic susceptibility of the photochemically prepared layered vanadyl phosphate Na(VO)2(PO4)2·4H2O †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1143","","10.1039/a909452k","","","0.7107","MoKα","","","0.056","","","","0.055","","","","","","1.56","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009322","9.1822","0.0002","13.5268","0.0002","21.47","0.0005","74.1341","0.0013","86.9295","0.0011","74.3192","0.0013","2469.05","0.09","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H50 N2 O12 Re2 -","- C51 H50 N2 O12 Re2 -","- C102 H100 N4 O24 Re4 -","2","2","","Guillevic, Marie-Andrée; Light, Mark E.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Bruce, Duncan W.","Synthesis of dinuclear complexes of rhenium(I) as potential metallomesogens","Journal of the Chemical Society, Dalton Transactions","2000","","9","1437","","10.1039/a910273f","","","0.71073","MoKα","","0.0424","0.0372","","","0.086","0.0895","","","","","","0.942","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009715","14.374","0.001","16.115","0.001","16.641","0.001","98.12","0.01","98.35","0.01","101.83","0.01","3674.1","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C75.5 H77 Ag2 O11 P3 Re2 -","- C75.5 H77 Ag2 O11 P3 Re2 -","- C151 H154 Ag4 O22 P6 Re4 -","2","2","","Haupt, Hans-Jürgen; Seewald, Oliver; Flörke, Ulrich; Buß, Volker; Weyhermüller, Thomas","Diastereomeric metallatetrahedron complexes of the type Re2(AgPR3)2(μ-PCy2)(CO)7Z (R = Et and Ph; Z = (−)- and (+)-camphanate): synthesis, structure and CD data","Journal of the Chemical Society, Dalton Transactions","2000","","16","2837","","10.1039/b003013i","","","0.71073","MoKα","","0.0997","0.0478","","","0.0909","0.1001","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010275","12.983","0.003","14.179","0.003","14.632","0.004","86.1","0.03","89.83","0.03","66.06","0.03","2455.2","1.2","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C95 H124 O23 Rh4 -","- C95 H124 O23 Rh4 -","- C95 H124 O23 Rh4 -","1","1","","Bonar-Law, Richard P.; Bickley, Jamie F.; Femoni, Cristina; Steiner, Alexander","Dirhodium(II) carboxylates as building blocks. Macrocyclic dimers with vertically stacked Rh24+ units","Journal of the Chemical Society, Dalton Transactions","2000","","23","4244","","10.1039/b007625m","","","0.71073","MoKα","","0.0579","0.0406","","","0.1034","0.109","","","","","","0.932","","","","has coordinates,has disorder","179806","2020-10-21","18:00:00",""
"7010897","10.2709","0.0014","11.1981","0.0015","14.226","0.002","95.844","0.003","101.305","0.002","93.949","0.003","1589.5","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C68 H80 Fe2 P2 Pt S4 -","- C68 H80 Fe2 P2 Pt S4 -","- C68 H80 Fe2 P2 Pt S4 -","1","1","","Wong, Wai-Yeung; Lu, Guo-Liang; Ng, Ka-Fai; Choi, Ka-Ho; Lin, Zhenyang","Synthesis, structures and properties of platinum(ii) complexes of oligothiophene-functionalized ferrocenylacetylene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3250","","10.1039/b105016h","","","0.71073","MoK\α","","0.101","0.0563","","","0.1253","0.1544","","","","","","0.915","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010953","6.222","0.003","7.838","0.003","18.622","0.009","84.981","0.013","83.699","0.013","73.128","0.012","862.3","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","(MeNEt3)[Pd(dmit)2]2","","","- C19 H18 N Pd2 S20 -","- C19 H18 N Pd2 S20 -","- C19 H18 N Pd2 S20 -","1","1","","Fang Qi; Thomas C. W. Mak; Zhou Zhong-Yuan; Yang Qing-Chuan; Liu Zhi; Yu Wen-Tao; Zhu Dao-Ben; Jiang Min-Hua","Syntheses and crystal structures of the molecular conductors Z[Pd(dmit)2]2{Z = (Me3NEt)+, (MeNEt3)+, (NEt4)+} and their precursors Z2[Pd(dmit)2]","J. Chem. Soc., Dalton Trans.","2002","","7","1377","1385","10.1039/b105854c","","","0.71073","MoKα","","0.1465","0.0945","","","0.2229","0.2426","","","","","","1.334","","","","has coordinates","210234","2020-10-21","18:00:00",""
"7010977","8.895","0.004","10.339","0.004","10.809","0.004","74.5","0.02","80.92","0.02","79.66","0.02","936","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C42 H42 Ag Cl N P3 -","- C42 H42 Ag Cl N P3 -","- C42 H42 Ag Cl N P3 -","1","1","","José A. Montes; Susana Rodríguez; Damián Fernández; M. Inés García-Seijo; Robert O. Gould; M. Esther García-Fernández","Comparative structural studies on silver(I) complexes with tripodal polyphosphines. Crystallographic characterisation of the first infinite chain structures in 2 ∶ 1 adducts of silver(I) halides with 1,1,1-tris(diphenylphosphinomethyl)ethane","J. Chem. Soc., Dalton Trans.","2002","","6","1110","1118","10.1039/b106021j","","","0.71073","MoKα","","0.0178","0.0174","","","0.0454","0.0456","","","","","","1.025","","","","has coordinates","179813","2020-10-21","18:00:00",""
"7011003","12.543","0.003","13.16","0.004","9.969","0.003","101.7","0.03","100.97","0.03","73.06","0.03","1526.2","0.8","296.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C56 H56 Br2 O2 P2 S8 W3 -","- C56 H56 Br2 O2 P2 S8 W3 -","- C56 H56 Br2 O2 P2 S8 W3 -","1","1","","Lang, Jian-Ping; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Reactions of tetrathiotungstate and tetrathiomolybdate with substituted haloalkanes","Journal of the Chemical Society, Dalton Transactions","2002","","12","2573","","10.1039/b106572f","","","0.7107","MoKα","","","0.0302","","","","0.0465","","","","","","1.195","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011044","8.331","0.003","9.722","0.003","8.317","0.002","95.87","0.02","99.12","0.02","74.53","0.03","639.7","0.4","198.2","","198.2","","","","","","","","","7","P 1","P 1","1","","","","- C25 H32 F6 N O2 P Ru -","- C25 H32 F6 N O2 P Ru -","- C25 H32 F6 N O2 P Ru -","1","1","","Mari Yamamoto; Kiyotaka Onitsuka; Mitsunari Uno; Shigetoshi Takahashi","Synthesis of enantiopure planar-chiral cyclopentadienyl-ruthenium binuclear complexes bridged by aromatic systems","J. Chem. Soc., Dalton Trans.","2002","","7","1473","1478","10.1039/b107051g","","","0.7107","MoKα","","","0.0158","","","0.0213","0.0213","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011046","10.576","0.002","11.833","0.003","8.557","0.003","92.9","0.03","112.03","0.02","76.36","0.02","963.8","0.5","198.2","","198.2","","","","","","","","","7","P 1","P 1","1","","","","- C34 H42 F12 N2 O2 P2 Ru2 -","- C34 H42 F12 N2 O2 P2 Ru2 -","- C34 H42 F12 N2 O2 P2 Ru2 -","1","1","","Mari Yamamoto; Kiyotaka Onitsuka; Mitsunari Uno; Shigetoshi Takahashi","Synthesis of enantiopure planar-chiral cyclopentadienyl-ruthenium binuclear complexes bridged by aromatic systems","J. Chem. Soc., Dalton Trans.","2002","","7","1473","1478","10.1039/b107051g","","","0.7107","MoKα","","","0.0304","","","0.0346","0.0346","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011650","8.211","0.007","8.327","0.007","9.356","0.006","95.96","0.03","107.6","0.02","116.67","0.02","522.9","0.7","168","2","168","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H17 B Cu F4 N6 O2.5 -","- C18 H17 B Cu F4 N6 O2.5 -","- C18 H17 B Cu F4 N6 O2.5 -","1","1","","McMorran, David A.; Steel, Peter J.","New U- and Y-shaped components for metallosupramolecular assemblies: synthesis and coordination chemistry of 2,6-bis(3-pyridyloxy)pyrazine","Journal of the Chemical Society, Dalton Transactions","2002","","17","3321","","10.1039/b202593k","","","0.71073","MoKα","","0.0815","0.0636","","","0.1512","0.1612","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011709","11.296","0.001","12.335","0.001","16.357","0.001","70.279","0.005","77.976","0.005","76.047","0.006","2061.9","0.3","200","","","","","","","","","","","6","P 1","P 1","1","","Bis[(S,S)-1,2-bis (1H-benzimidazol-2-yl) -1,2- ethanediol] copper(II) diperchlorate","","- C73 H70 Cl6 Cu2 N20 O24 -","- C73 H50 Cl6 Cu2 N20 O24 -","- C73 H50 Cl6 Cu2 N20 O24 -","1","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","","","1.54183","CuKα","","","0.044","","","","0.056","","","","","","2.7","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012177","9.4932","0.0006","9.9247","0.0008","9.9474","0.0008","97.9","0.02","92.8","0.02","115.51","0.02","831.68","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C43 H39 B Co N O -","- C43 H39 B Co N O -","- C43 H39 B Co N O -","1","1","","van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils","Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides","Dalton Transactions","2003","","2","210","","10.1039/b208363a","","","0.71073","MoKα","","0.056","0.0434","","0.0942","0.0895","","","","1.014","1.055","1.055","","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012230","9.0549","0.0018","10.873","0.002","15.972","0.003","109.06","0.03","90.56","0.03","101.02","0.03","1454.5","0.6","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H36 P2 Pd S2 -","- C32 H36 P2 Pd S2 -","- C64 H72 P4 Pd2 S4 -","2","2","","Dervisi, Athanasia; Jenkins, Robert L.; Malik, K. M. Abdul; Hursthouse, Michael B.; Coles, Simon","Synthesis of Ni(ii), Pd(ii) and Pt(ii) complexes containing chiral phosphino-thiol and -thioether ligands","Dalton Transactions","2003","","6","1133","","10.1039/b209142a","","","0.71073","MoKα","","0.0876","0.0682","","","0.1645","0.1779","","","","","","1.01","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012348","6.966","0.0014","10.574","0.002","12.026","0.002","72.84","0.03","85.48","0.03","78.49","0.03","829.2","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H22 Cu N8 O4 S4 -","- C32 H22 Cu N8 O4 S4 -","- C32 H22 Cu N8 O4 S4 -","1","1","","Ren, Xiaoming; Ma, Jing; Lu, Changsheng; Yang, Senzu; Meng, Qingjin; Wu, Peiheng","Syntheses, crystal structures, ferroelectrics and magnetic properties of [R-BzPy]2[Cu(mnt)2] complexes ([R-BzPy]+ = 1-(4'-R-benzyl)pyridinium, R = NO2 or Br; mnt2‒ = maleonitriledithiolate)","Dalton Transactions","2003","","7","1345","","10.1039/b210314a","","","0.71073","MoKα","","0.0414","0.0343","","","0.0929","0.0977","","","","","","1.092","","","","has coordinates","179827","2020-10-21","18:00:00",""
"7012511","7.8926","0.0005","10.1888","0.0007","14.0856","0.0009","96.655","0.001","97.344","0.002","90.346","0.001","1115.6","0.13","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H21.25 Cl Cu N3 O7.625 -","- C22 H21 Cl Cu N3 O7.625 -","- C44 H42 Cl2 Cu2 N6 O15.25 -","2","2","","Yang, Chang-Tong; Moubaraki, Boujemaa; Murray, Keith S.; Vittal, Jagadese J.","Synthesis, characterization and properties of ternary copper(ii) complexes containing reduced Schiff base N-(2-hydroxybenzyl)-α-amino acids and 1,10-phenanthrolineElectronic supplementary information (ESI) available: ESI-MS and UV titration data. See http://www.rsc.org/suppdata/dt/b2/b211496h/","Dalton Transactions","2003","","5","880","","10.1039/b211496h","","","0.71073","MoKα","","0.0523","0.0435","","","0.0869","0.0945","","","","","","0.997","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012596","10.4238","0.0018","11.404","0.0019","14.704","0.002","101.117","0.003","108.382","0.003","90.023","0.003","1624.1","0.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H60 N9 P3 -","- C24 H60 N9 P3 -","- C48 H120 N18 P6 -","2","2","","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","","0.0603","0.0462","","","0.1001","0.1038","","","","","","0.925","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012600","13.424","0.007","14.344","0.008","24.639","0.013","89.324","0.01","87.424","0.011","65.306","0.009","4306","4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H60 N9 P3 -","- C24 H60 N9 P3 -","- C120 H300 N45 P15 -","5","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","","0.1793","0.0927","","","0.1966","0.231","","","","","","1.037","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012805","11.8958","0.0001","12.033","0.0001","15.7894","0.0002","99.42","","108.451","0.001","90.123","0.001","2111.52","0.04","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H88 N2 Na2 O55 S8 -","- C62 H38 N2 Na2 O55 S8 -","- C62 H38 N2 Na2 O55 S8 -","1","1","","Nichols, Peter J.; Raston, Colin L.","Confinement of (S)-serine in tetra-p-sulfonatocalix[4]arene bilayers","Dalton Transactions","2003","","14","2923","","10.1039/b301316b","","","0.71073","MoKα","","0.0862","0.0684","","","0.174","0.186","","","","","","1.028","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012806","11.7834","0.0001","12.3597","0.0002","15.4799","0.0002","83.076","0.001","67.84","0.001","89.712","0.001","2070.72","0.05","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H87 N2 Na5 O53 S8 -","- C62 H38 N2 Na5 O53 S8 -","- C62 H38 N2 Na5 O53 S8 -","1","1","","Nichols, Peter J.; Raston, Colin L.","Confinement of (S)-serine in tetra-p-sulfonatocalix[4]arene bilayers","Dalton Transactions","2003","","14","2923","","10.1039/b301316b","","","0.71073","MoKα","","0.102","0.0659","","","0.1573","0.1761","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012807","11.6093","0.0001","12.3864","0.0001","15.6609","0.0002","69.58","","73.75","","89.843","0.001","2014.87","0.04","123","2","123","2","","","","","","","","8","P 1","P 1","1","","","","- C62 H81 Cl Cs2 N2 Na2 O49 S8 -","- C62 H38 Cl Cs2 N2 Na2 O49 S8 -","- C62 H38 Cl Cs2 N2 Na2 O49 S8 -","1","1","","Nichols, Peter J.; Raston, Colin L.","Confinement of (S)-serine in tetra-p-sulfonatocalix[4]arene bilayers","Dalton Transactions","2003","","14","2923","","10.1039/b301316b","","","0.71073","MoKα","","0.0686","0.0584","","","0.1518","0.1596","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012833","9.233","0.0018","9.5526","0.0018","11.657","0.002","109.932","0.003","108.346","0.003","96.835","0.004","887.4","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C41 H34 Cl O5 P2 Rh -","- C41 H34 Cl O5 P2 Rh -","- C41 H34 Cl O5 P2 Rh -","1","1","","Dutta, Dipak K.; Woollins, J. Derek; Slawin, Alexandra M. Z.; Konwar, Dilip; Das, Pankaj; Sharma, Manab; Bhattacharyya, Pravat; Aucott, Stephen M.","An alternative strategy to an electron rich phosphine based carbonylation catalyst","Dalton Transactions","2003","","13","2674","2679","10.1039/b301674a","","","0.71073","MoKα","","0.0721","0.0466","","","0.0925","0.1012","","","","","","0.893","","","","has coordinates","179832","2020-10-21","18:00:00",""
"7013041","10.488","0.001","12.677","0.001","14.761","0.001","110.07","0.01","102.19","0.01","91.21","0.01","1792.4","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H40 Br2 Cu2 N2 O14 -","- C32 H40 Br2 Cu2 N2 O14 -","- C64 H80 Br4 Cu4 N4 O28 -","2","2","","Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow","Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations","Dalton Trans.","2003","","15","3126","3135","10.1039/b303729k","","","0.71073","MoKα","","0.0322","0.0294","","","0.0697","0.0711","","","","","","1.031","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013043","13.23","0.001","13.242","0.001","13.426","0.001","104.83","0.01","105.4","0.01","104.06","0.01","2066.6","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H42 Br2 Cu2 N4 O12 -","- C40 H42 Br2 Cu2 N4 O12 -","- C80 H84 Br4 Cu4 N8 O24 -","2","2","","Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow","Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations","Dalton Trans.","2003","","15","3126","3135","10.1039/b303729k","","","0.71073","MoKα","","0.0717","0.0621","","","0.1488","0.1545","","","","","","1.047","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013046","9.74","0.003","11.316","0.003","12.034","0.004","96.248","0.005","107.684","0.005","113.876","0.004","1113.9","0.6","293","2","293","2","","","","","","","see text","5","P 1","P 1","1","","","","- C44 H52 Cu2 N4 O14 -","- C44 H52 Cu2 N4 O14 -","- C44 H52 Cu2 N4 O14 -","1","1","","Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow","Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations","Dalton Trans.","2003","","15","3126","3135","10.1039/b303729k","","","0.71073","MoKa","","0.046","0.038","","","0.086","0.09","","","","","","0.96","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013775","10.434","0.001","11.383","0.001","11.741","0.001","96.29","0.01","99.85","0.01","117.96","0.01","1184.4","0.2","198","2","198","2","","","","","","","","7","P 1","P 1","1","","","","- C42 H72 Cl3 F6 Mo2 O P -","- C42 H72 Cl3 F6 Mo2 O P -","- C42 H72 Cl3 F6 Mo2 O P -","1","1","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0516","0.0439","","","0.1059","0.1111","","","","","","1.005","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7014073","13.135","0.007","13.475","0.007","15.345","0.008","107.012","0.009","105.86","0.009","90.125","0.009","2488","2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C96 H140 Cl2 Li4 N8 O12 P2 -","- C96 H140 Cl2 Li4 N8 O12 P2 -","- C96 H140 Cl2 Li4 N8 O12 P2 -","1","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.1332","0.0939","","","0.2457","0.2791","","","","","","1.03","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014198","12.123","0.003","12.614","0.003","12.944","0.003","61.43","0.02","65.86","0.02","69.39","0.02","1555.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","Fe5Bta","","","- C45 H60.6 Cl5 Fe5 N18 O11.8 -","- C45 H58 Cl5 Fe5 N18 O11.8 -","- C45 H58 Cl5 Fe5 N18 O11.8 -","1","1","","Tabernor, James; Jones, Leigh F.; Heath, Sarah L.; Muryn, Chris; Aromi, Guillem; Ribas, Joan; Brechin, Euan K.; Collison, David","A centred, elongated ""ferric tetrahedron"" with an S= 15/2 spin ground state.","Dalton transactions (Cambridge, England : 2003)","2004","","7","975","976","10.1039/b403041a","","","0.71073","MoKα","","0.0728","0.0574","","","0.1314","0.137","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014394","9.8816","0.0011","10.9635","0.0012","11.8619","0.001","111.53","0.003","90.034","0.003","99.352","0.004","1177","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H30 F6 N6 P Rh -","- C20 H30 F6 N6 P Rh -","- C40 H60 F12 N12 P2 Rh2 -","2","2","","Riederer, Stephanie K. U.; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E","Chiral N-heterocyclic biscarbenes based on 1,2,4-triazole as ligands for metal-catalyzed asymmetric synthesis.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","41","43","10.1039/c0dt00724b","","","0.71073","MoKα","","0.0348","0.0313","","","0.0762","0.0786","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014472","12.99","0.003","13.619","0.003","19.278","0.004","101.81","0.03","96.14","0.03","93.73","0.03","3305.9","1.3","250","2","250","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H73 Al Mn2 Mo6 N8 O46 -","- C38 H41 Al Mn2 Mo6 N8 O41 -","- C76 H82 Al2 Mn4 Mo12 N16 O82 -","2","2","","Wu, Qiong; Chen, Wei-Lin; Liu, Ding; Liang, Chang; Li, Yang-Guang; Lin, Shi-Wei; Wang, Enbo","New class of organic-inorganic hybrid aggregates based on polyoxometalates and metal-Schiff-base.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","56","61","10.1039/c0dt00884b","","","0.71073","MoKα","","0.0706","0.0514","","","0.1255","0.145","","","","","","1.095","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014473","12.99","0.003","13.619","0.003","19.278","0.004","101.81","0.03","96.14","0.03","93.73","0.03","3305.9","1.3","250","2","250","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H60 Cr Mn2 Mo6 N8 O41 -","- C38 H41 Cr Mn2 Mo6 N8 O40.5 -","- C76 H82 Cr2 Mn4 Mo12 N16 O81 -","2","2","","Wu, Qiong; Chen, Wei-Lin; Liu, Ding; Liang, Chang; Li, Yang-Guang; Lin, Shi-Wei; Wang, Enbo","New class of organic-inorganic hybrid aggregates based on polyoxometalates and metal-Schiff-base.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","56","61","10.1039/c0dt00884b","","","0.71073","MoKα","","0.1213","0.0743","","","0.1726","0.1959","","","","","","1.069","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014707","10.747","0.005","11.762","0.005","12.896","0.005","75.128","0.005","70.329","0.005","86.267","0.005","1483.2","1.1","113","","113","","","","","","","","","7","P 1","P 1","1","","","","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","1","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.052","","","","0.1426","","","","","","1.037","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014752","11.3833","0.0006","11.465","0.0005","16.2264","0.0008","75.6619","0.0017","83.2147","0.0015","89.1992","0.0014","2037.11","0.17","173.1","","173.1","","","","","","","","","7","P 1","P 1","1","","","","- C72 H82 Cu2 F24 N8 O P4 -","- C72 H80 Cu2 F24 N8 O P4 -","- C72 H80 Cu2 F24 N8 O P4 -","1","1","","Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2268","2274","10.1039/c0dt01129k","","","0.71075","MoKα","","","0.0583","","","","0.1014","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014868","9.388","0.016","9.44","0.02","9.484","0.017","88.28","0.09","81.19","0.05","89.14","0.09","830","3","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","2","","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","","","1.54178","CuKα","","0.0457","0.042","","","0.1115","0.128","","","","","","1.123","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014873","11.0271","0.0011","11.4224","0.0012","14.9238","0.0016","85.963","0.009","85.289","0.011","83.182","0.009","1856.6","0.3","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H50 N4 O2 V -","- C40 H50 N4 O2 V -","- C80 H100 N8 O4 V2 -","2","2","","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","","","0.71075","MoKα","","0.0524","0.0371","","","0.0766","0.0825","","","","","","0.929","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014875","9.55","0.001","10.9436","0.0012","11.4253","0.0014","97.974","0.006","93.029","0.014","99.572","0.009","1162.5","0.2","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C55 H64 N5 Nb O2 -","- C55 H64 N5 Nb O2 -","- C55 H64 N5 Nb O2 -","1","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","","","0.71075","MoKα","","0.0442","0.0373","","","0.0769","0.0804","","","","","","1.01","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7015189","9.6472","0.0004","11.744","0.0005","11.9908","0.0005","101.132","0.002","93.506","0.002","106.257","0.001","1270.05","0.09","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H40 Cl6 Mo O6 P2 Re -","- C50 H40 Cl6 Mo O6 P2 Re -","- C50 H40 Cl6 Mo O6 P2 Re -","1","1","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan","Synthesis, crystal structure and magnetic properties of an oxalato-bridged Re(IV)Mo(VI) heterobimetallic complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4818","4820","10.1039/c0dt01323d","","","0.71073","MoKα","","0.0886","0.0822","","","0.2128","0.2193","","","","","","1.082","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015267","8.32","0.0004","13.9529","0.0008","14.0274","0.0008","112.341","0.001","100.392","0.002","94.466","0.002","1462.16","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H42 N2 Ni O7 -","- C30 H42 N2 Ni O7 -","- C60 H84 N4 Ni2 O14 -","2","2","","Haak, Robert M.; Castilla, Ana M.; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Access to multinuclear salen complexes using olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3352","3364","10.1039/c0dt01411g","","","0.71073","MoKα","","0.0416","0.0358","","","0.1018","0.1063","","","","","","1.065","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015435","7.7586","0.0006","11.1224","0.0015","17.327","0.002","96.667","0.002","102.141","0.003","95.722","0.002","1440","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C52 H76 N4 O10 Zn2 -","- C52 H76 N4 O10 Zn2 -","- C52 H76 N4 O10 Zn2 -","1","1","","Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi","Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5271","5277","10.1039/c0dt01590c","","","0.71073","MoKα","","0.1339","0.0762","","","0.1732","0.2072","","","","","","1.005","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015568","8.86","0.0005","11.289","0.0005","14.651","0.0007","80.751","0.003","86.603","0.002","69.248","0.003","1352.51","0.12","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C20.7 H22.8 Cu F6 N4 O6.7 S2 -","- C20.7 H22.8 Cu F6 N4 O6.7 S2 -","- C41.4 H45.6 Cu2 F12 N8 O13.4 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0815","0.0533","","","0.1296","0.1481","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015569","8.842","0.0003","11.652","0.0004","14.843","0.0005","98.123","0.002","93.505","0.002","111.186","0.002","1401.1","0.09","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C21.7 H25.1 Cu F6 N4 O6.85 S2 -","- C21.7 H25.1 Cu F6 N4 O6.85 S2 -","- C43.4 H50.2 Cu2 F12 N8 O13.7 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0725","0.0575","","","0.134","0.1449","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015570","9.5699","0.0003","11.4168","0.0003","13.9033","0.0004","76.376","0.002","82.061","0.001","88.308","0.001","1462.14","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H28 Cu F6 N4 O7 S2 -","- C23 H28 Cu F6 N4 O7 S2 -","- C46 H56 Cu2 F12 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0754","0.0528","","","0.1213","0.1343","","","","","","1.029","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015571","8.89","0.0002","11.479","0.0003","15.482","0.0005","111.62","0.001","101.199","0.001","93.665","0.001","1424.81","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C21 H22.5 Cu F6 N4 O6.5 S2 -","- C21 H22.5 Cu F6 N4 O6.5 S2 -","- C42 H45 Cu2 F12 N8 O13 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0922","0.0585","","","0.1375","0.1559","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015572","9.545","0.0008","11.426","0.001","13.698","0.0012","78.636","0.006","83.184","0.005","88.992","0.005","1454.3","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C22 H21 Cu F9 N4 O7 S2 -","- C22 H21 Cu F9 N4 O7 S2 -","- C44 H42 Cu2 F18 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0869","0.0548","","","0.1137","0.1313","","","","","","1.048","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015574","8.859","0.0002","11.253","0.0003","14.779","0.0005","80.18","0.001","86.856","0.001","68.96","0.001","1354.92","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C21 H24 Cu F6 N4 O7 S2 -","- C21 H24 Cu F6 N4 O7 S2 -","- C42 H48 Cu2 F12 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.049","0.0416","","","0.1024","0.108","","","","","","1.023","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015576","9.629","0.0003","11.788","0.0005","13.824","0.0005","99.918","0.002","105.773","0.002","96.22","0.001","1467.4","0.1","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H28 Cu F6 N4 O7 S2 -","- C23 H28 Cu F6 N4 O7 S2 -","- C46 H56 Cu2 F12 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0438","0.0341","","","0.0774","0.083","","","","","","1.042","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015769","11.7004","0.0003","12.1366","0.0003","16.3796","0.0005","103.209","0.002","90.7","0.002","92.796","0.002","2261.07","0.11","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H76 K Mg N5 Si6 -","- C28 H76 K Mg N5 Si6 -","- C56 H152 K2 Mg2 N10 Si12 -","2","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.051","0.0346","","","0.0671","0.0699","","","","","","0.889","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7016056","10.231","0.001","11.168","0.001","13.729","0.001","72.34","0.002","75.249","0.002","80.614","0.002","1439.2","0.2","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C55 H45 B F24 N2 O3 Pd -","- C55 H45 B F24 N2 O3 Pd -","- C55 H45 B F24 N2 O3 Pd -","1","1","","Carfagna, Carla; Gatti, Giuseppe; Mosca, Luca; Natanti, Paolo; Paoli, Paola; Rossi, Patrizia; Gabriele, Bartolo; Salerno, Giuseppe","Carbonylation of styrenes catalyzed by bioxazoline Pd(ii) complexes: mechanism of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6792","6801","10.1039/c1dt10101c","","","1.54184","CuKα","","0.0735","0.0734","","","0.1911","0.1912","","","","","","1.034","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016057","10.193","0.001","11.051","0.001","13.743","0.001","72.314","0.003","78.093","0.003","81.707","0.003","1437.6","0.2","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C55 H45 B F24 N2 O3 Pd -","- C55 H37 B F24 N2 O3 Pd -","- C55 H37 B F24 N2 O3 Pd -","1","1","","Carfagna, Carla; Gatti, Giuseppe; Mosca, Luca; Natanti, Paolo; Paoli, Paola; Rossi, Patrizia; Gabriele, Bartolo; Salerno, Giuseppe","Carbonylation of styrenes catalyzed by bioxazoline Pd(ii) complexes: mechanism of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6792","6801","10.1039/c1dt10101c","","","1.54184","CuKα","","0.0863","0.0829","","","0.2122","0.2172","","","","","","1.041","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016091","11.4316","0.0011","12.3814","0.0011","14.7724","0.0014","79.927","0.004","71.311","0.004","79.022","0.004","1929.7","0.3","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C41 H36 Cl2 N2 O P2 Ru S3 -","- C41 H36 Cl2 N2 O P2 Ru S3 -","- C82 H72 Cl4 N4 O2 P4 Ru2 S6 -","2","2","","Kuchison, Angela M.; Wolf, Michael O.; Patrick, Brian O.","Photophysical and electrochemical properties of Ru(ii) complexes containing tridentate bisphosphino-oligothiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6912","6921","10.1039/c1dt10217f","","","0.71073","MoKα","","0.0361","0.0316","","","0.0735","0.0757","","","","","","1.066","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016759","10.6752","0.0004","12.6029","0.0004","18.4402","0.0007","91.644","0.003","97.18","0.003","114.573","0.003","2229.57","0.15","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H52 K N O Si -","- C55 H52 K N O Si -","- C110 H104 K2 N2 O2 Si2 -","2","2","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0537","0.0485","","","0.1238","0.1288","","","","","","1.047","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016941","7.6131","0.0011","8.3587","0.0011","10.6771","0.0015","68.734","0.003","73.159","0.003","66.537","0.003","572.37","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 I2 N5 Rh -","- C19 H30 I2 N5 Rh -","- C19 H30 I2 N5 Rh -","1","1","","Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin","Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9911","9920","10.1039/c1dt11116g","","","0.71073","MoKα","","0.0478","0.0436","","","0.0904","0.0918","","","","","","1.072","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017190","10.3702","0.0016","10.6201","0.0018","12.6948","0.0019","96.434","0.008","98.583","0.008","116.065","0.007","1216.8","0.3","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H53 B2 F8 N11 Zn2 -","- C51 H53 B2 F8 N11 Zn2 -","- C51 H53 B2 F8 N11 Zn2 -","1","1","","Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally","Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12277","12287","10.1039/c1dt10730e","","","0.71073","MoKα","","0.1156","0.0819","","","0.2008","0.2265","","","","","","1.04","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7018366","12.3347","0.0012","12.8896","0.0013","17.0469","0.0017","86.508","0.001","73.82","0.001","62.964","0.001","2311.6","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","DP-3-1-1 [1-(benzoquinoline imine)-2-amino-cyclohexane]2 Ni (OTf)2 (MeOH)","","- C44 H44 F6 N6 Ni O7 S2 -","- C44.002 H44.006 F6 N6 Ni O7.001 S2 -","- C88.004 H88.012 F12 N12 Ni2 O14.002 S4 -","2","2","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.0948","0.0895","","","0.253","0.2594","","","","","","1.501","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7019174","10.273","0.007","13.374","0.008","13.816","0.009","110.346","0.013","103.275","0.012","94.979","0.013","1703.1","1.9","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H58 Cs F28 N0 O9 Yb -","- C56 H53 Cs F28 O9 Yb -","- C56 H53 Cs F28 O9 Yb -","1","1","","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","","0.1058","0.0699","","","0.1601","0.1767","","","","","","0.885","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019197","12.8515","0.0004","12.9728","0.0005","13.2306","0.0004","91.9","0.002","117.275","0.002","112.938","0.002","1744.07","0.12","120","","120","","","","","","","","","8","P 1","P 1","1","","","","- C69 H100 Co N6 Na Nb O5 P3 -","- C69 H100 Co N6 Na Nb O5 P3 -","- C69 H100 Co N6 Na Nb O5 P3 -","1","1","","Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.","Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8111","8115","10.1039/c2dt00034b","","","0.71073","MoKα","","0.0416","0.0347","","0.0884","0.0804","0.0884","","","","","","0.9935","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019198","12.8488","0.0003","12.9768","0.0003","13.2265","0.0003","91.961","0.001","117.278","0.001","112.849","0.001","1744.62","0.08","120","","120","","","","","","","","","8","P 1","P 1","1","","","","- C69 H100 Co N6 Na O5 P3 Ta -","- C69 H100 Co N6 Na O5 P3 Ta -","- C69 H100 Co N6 Na O5 P3 Ta -","1","1","","Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.","Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8111","8115","10.1039/c2dt00034b","","","0.71073","MoKα","","0.0341","0.0324","","0.0723","0.0714","0.0723","","","","","","0.9713","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019599","8.2973","0.0003","9.0007","0.0004","12.7365","0.0005","98.535","0.003","98.527","0.002","97.221","0.002","919.58","0.06","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H38 Cl N11 O7 S3 -","- C30 H38 Cl N11 O7 S3 -","- C30 H38 Cl N11 O7 S3 -","1","1","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.0555","0.0481","","","0.1146","0.1201","","","","","","0.972","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019621","13.5343","0.0002","14.9731","0.0002","24.5351","0.0004","85.968","0.001","83.148","0.001","87.986","0.001","4922.52","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C170 H259 Au4 Cl7 O62 P4 -","- C170 H259 Au4 Cl7 O62 P4 -","- C170 H259 Au4 Cl7 O62 P4 -","1","1","","Gramage-Doria, Rafael; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Non-conventional coordination of cavity-confined metal centres.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8786","8796","10.1039/c2dt30751k","","","0.71073","MoKα","","0.098","0.0536","","","0.1113","0.1239","","","","","","0.895","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019821","8.3125","0.0007","11.4102","0.0008","13.5629","0.0016","78.074","0.008","77.335","0.008","89.873","0.006","1226.8","0.2","173","2","173","","","","","","","","","4","P 1","P 1","1","1-amino-3,5-dinitro-1,2,4-triazole","1-amino-3,5-dinitro-1,2,4-triazole","","- C2 H2 N6 O4 -","- C2 H2 N6 O4 -","- C16 H16 N48 O32 -","8","8","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0442","0.0344","","","0.0709","0.0769","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019986","8.5553","0.001","8.8213","0.0011","20.35","0.003","95.18","0.002","96.444","0.002","117.107","0.002","1341","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H56 Cu2 N8 O20 -","- C54 H55 Cu2 N8 O20 -","- C54 H55 Cu2 N8 O20 -","1","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.096","0.0575","","","0.1088","0.1243","","","","","","0.993","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7020037","5.4162","0.0003","7.9373","0.0004","9.3034","0.0004","84.198","0.003","73.305","0.003","71.229","0.003","362.7","0.03","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- Cs2 Cu3 F4 O12 P4 -","- Cs2 Cu3 F4 O12 P4 -","- Cs2 Cu3 F4 O12 P4 -","1","1","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0944","0.0685","","","0.1353","0.1539","","","","","","1.141","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020046","6.352","0.003","10.146","0.005","11.602","0.005","71.9","0.02","78.96","0.03","77.06","0.02","686.6","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C4 H12 Cu2 F5 N2 O8 P3 -","- C4 H12 Cu2 F5 N2 O8 P3 -","- C8 H24 Cu4 F10 N4 O16 P6 -","2","2","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71075","MoKα","","0.1463","0.09","","","0.1976","0.2581","","","","","","0.921","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020163","7.779","0.003","7.864","0.003","8.045","0.003","100.627","0.006","106.855","0.006","102.071","0.006","444.5","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C11 H29 Cl2 Co N4 O4 -","- C11 H25 Cl2 Co N4 O4 -","- C11 H25 Cl2 Co N4 O4 -","1","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0558","0.0557","","","0.1505","0.1505","","","","","","1.054","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020409","11.9727","0.0005","13.6776","0.0006","13.8349","0.0005","86.162","0.002","75.759","0.002","74.124","0.002","2112.19","0.15","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H47 F6 N2 P3 -","- C47 H47 F6 N2 P3 -","- C94 H94 F12 N4 P6 -","2","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","","0.1009","0.0631","","","0.1297","0.15","","","","","","1.047","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020821","14.1333","0.0004","14.2073","0.0004","14.4339","0.0004","69.875","0.001","76.646","0.001","65.391","0.001","2461.05","0.12","150","1","150","1","","","","","","","synthesized by the authors","6","P 1","P 1","1","","","","- C23 H70 Cu2 N16 O23 P4 -","- C23 H70 Cu2 N16 O23 P4 -","- C46 H140 Cu4 N32 O46 P8 -","2","2","","David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan","Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2414","2422","10.1039/c2dt32045b","","","0.71073","MoKα","","0.0262","0.0237","","","0.0604","0.0618","","","","","","1.027","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7021147","10.754","0.002","11.776","0.002","12.101","0.002","66.21","0.03","77.67","0.03","89.24","0.03","1365.3","0.6","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H34 Cl2 N2 O2 Pd -","- C28 H34 Cl2 N2 O2 Pd -","- C56 H68 Cl4 N4 O4 Pd2 -","2","2","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0391","0.038","","","0.0855","0.0867","","","","","","1.068","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021148","10.839","0.002","12.056","0.002","12.66","0.003","62.3","0.03","78.85","0.03","89.82","0.03","1429.9","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H42 Cl2 N2 O2 Pd -","- C28 H42 Cl2 N2 O2 Pd -","- C56 H84 Cl4 N4 O4 Pd2 -","2","2","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0861","0.0847","","","0.2123","0.2143","","","","","","1.435","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021233","17.9229","0.0014","17.9432","0.0014","19.3913","0.0016","97.024","0.001","114.874","0.001","107.011","0.001","5189.3","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","U16L8P4","","","- C16 K10 O152 P20 U16 -","- C16 K10 O152 P20 U16 -","- C16 K10 O152 P20 U16 -","1","1","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.0638","0.0491","","","0.1399","0.1517","","","","","","1.12","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021419","9.155","0.0006","9.4191","0.0005","11.4639","0.0009","66.266","0.005","79.64","0.005","63.335","0.004","808.7","0.1","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C36 H39 Cl N2 O Si Sn -","- C36 H39 Cl N2 O Si Sn -","- C36 H39 Cl N2 O Si Sn -","1","1","","Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš","Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7660","7671","10.1039/c3dt50278c","","","0.71073","MoKα","","0.0337","0.0329","","","0.0802","0.081","","","","","","1.055","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021464","10.3903","0.001","12.1363","0.0009","12.9158","0.0013","103.591","0.008","111.663","0.009","108.65","0.008","1313.9","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H35 N3 O6 Ru S3 -","- C22 H35 N3 O6 Ru S3 -","- C44 H70 N6 O12 Ru2 S6 -","2","2","","Reiner, Thomas; Jantke, Dominik; Miao, Xiao-He; Marziale, Alexander N.; Kiefer, Florian J.; Eppinger, Jörg","Phenylalanine - a biogenic ligand with flexible η(6)- and η(6):κ(1)-coordination at ruthenium(ii) centres.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8692","8703","10.1039/c3dt50589h","","","0.71073","MoKα","","0.0517","0.0403","","","0.0899","0.096","","","","","","1.005","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021982","10.2878","0.0003","13.7254","0.0005","14.8599","0.0005","107.893","0.003","103.008","0.003","94.397","0.003","1921.34","0.12","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C64 H86 Cu2 N20 O33 -","- C60 H64 Cu2 N20 O26 -","- C60 H64 Cu2 N20 O26 -","1","1","","Ghosh, Sushobhan; Silber, Georg T.; White, Andrew J. P.; Robertson, Neil; Vilar, Ramon","Synthesis of a self-assembled copper(ii) metallo-rectangle with a guanosine-substituted terpyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13813","13816","10.1039/c3dt51845k","","","1.54184","CuKα","","0.0559","0.0495","","","0.1327","0.1395","","","","","","1.04","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7022037","10.5117","0.0003","13.7159","0.0004","17.3224","0.0004","78.113","0.001","76.911","0.001","89.739","0.001","2378.12","0.11","100","1","100","1","","","","","","","","6","P 1","P 1","1","","","","- C44 H71 N2 O2 Si3 Y -","- C44 H71 N2 O2 Si3 Y -","- C88 H142 N4 O4 Si6 Y2 -","2","2","","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","","0.0566","0.046","","","0.1187","0.1247","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022080","4.694","0.005","6.003","0.006","7.771","0.008","102.444","0.015","99.751","0.004","107.71","0.02","197.1","0.4","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- F3 Mn Na2 O7 P2 -","- F3 Mn Na2 O7 P2 -","- F3 Mn Na2 O7 P2 -","1","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71075","Molybdenum","","0.0422","0.0367","","","0.0843","0.0887","","","","","","1.235","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022472","10.983","0.002","11.61","0.002","12.528","0.003","102.42","0.03","95.4","0.03","109.96","0.03","1441.8","0.7","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C46 H50 F12 Hg2 N6 O14 S4 -","- C46 H48 F12 Hg2 N6 O14 S4 -","- C46 H48 F12 Hg2 N6 O14 S4 -","1","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","","0.0269","0.0247","","","0.0565","0.0571","","","","","","1.026","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022798","10.5355","0.0003","11.8539","0.0004","15.7927","0.0005","94.235","0.002","100.106","0.001","112.49","0.002","1772.35","0.1","173","2","173","2","","","","","","","synthesis as described","8","P 1","P 1","1","","","","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","1","1","","Bobin, Mariusz; Day, Iain J.; Roe, Stephen M.; Viseux, Eddy M. E.","Insights into the mechanism for gold catalysis: behaviour of gold(I) amide complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6592","6602","10.1039/c3dt33039g","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0675","0.0706","","","","","","1.048","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7023334","12.049","0.008","12.43","0.007","23.884","0.018","75.14","0.03","77.48","0.03","66.54","0.03","3145","4","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H65 F6 Fe2 N O0.5 P5 -","- C66 H65 F6 Fe2 N O0.5 P5 -","- C132 H130 F12 Fe4 N2 O P10 -","2","2","","Ma, Xiao; Lin, Chen-Sheng; Zhang, Hui; Lin, Yi-Ji; Hu, Sheng-Min; Sheng, Tian-Lu; Wu, Xin-Tao","Synthesis, spectral and redox switchable cubic NLO properties of chiral dinuclear iron cyanide/isocyanide-bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12452","12459","10.1039/c3dt51197a","","","0.71073","MoKα","","0.1068","0.0782","","","0.1548","0.1746","","","","","","0.982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023335","12.061","0.015","12.35","0.013","23.73","0.03","74.95","0.05","77.34","0.05","66.64","0.04","3107","7","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C68 H70 F6 Fe2 N O P5 -","- C68 H70 F6 Fe2 N O P5 -","- C136 H140 F12 Fe4 N2 O2 P10 -","2","2","","Ma, Xiao; Lin, Chen-Sheng; Zhang, Hui; Lin, Yi-Ji; Hu, Sheng-Min; Sheng, Tian-Lu; Wu, Xin-Tao","Synthesis, spectral and redox switchable cubic NLO properties of chiral dinuclear iron cyanide/isocyanide-bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12452","12459","10.1039/c3dt51197a","","","0.71073","MoKα","","0.1079","0.0785","","","0.1685","0.19","","","","","","0.891","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023408","10.9216","0.0011","11.5633","0.0011","13.5707","0.0013","71.247","0.002","69.31","0.002","85.255","0.002","1517.3","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H54 Cl4 Cu N10 O14 S2 -","- C37 H54 Cl4 Cu N10 O14 S2 -","- C37 H54 Cl4 Cu N10 O14 S2 -","1","1","","Bhattacharyya, Sudipta; Sarkar, Amrita; Dey, Suman Kr; Jose, Gregor P.; Mukherjee, Arindam; Sengupta, Tapas K.","Copper(II) complex of methionine conjugated bis-pyrazole based ligand promotes dual pathway for DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11709","11719","10.1039/c3dt51296g","","","0.71073","MoKα","","0.057","0.0524","","","0.1463","0.1495","","","","","","1.066","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023869","15.2933","0.0009","15.5985","0.0008","18.1942","0.0006","64.685","0.004","77.986","0.004","61.077","0.006","3434.1","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C103 H67 Cl3 Cr4 Mn8 N8 O66 -","- C102.5 H67 Cl3 Cr4 Mn8 N8 O66 -","- C102.5 H67 Cl3 Cr4 Mn8 N8 O66 -","1","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.0766","0.0539","","","0.1342","0.1415","","","","","","0.943","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023871","15.278","0.0008","15.56","0.0007","18.174","0.001","64.665","0.005","78.123","0.005","61.048","0.005","3416.9","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C103 H91 Cl3 Cr4 Mn8 N8 O66 -","- C103 H91 Cl3 Cr4 Mn8 N8 O66 -","- C103 H91 Cl3 Cr4 Mn8 N8 O66 -","1","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.1206","0.0777","","","0.1964","0.2415","","","","","","1.031","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023922","11.196","0.003","13.02","0.003","16.52","0.004","84.072","0.003","85.182","0.003","79.138","0.003","2347.2","1","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C99 H81 Co4 N17 O24 S4 -","- C96 H74 Co4 N16 O21 S4 -","- C96 H74 Co4 N16 O21 S4 -","1","1","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0291","0.0281","","","0.0896","0.0922","","","","","","1.084","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024056","7.822","0.0013","13.9842","0.0016","15.372","0.002","71.281","0.008","88.558","0.01","76.806","0.008","1548.4","0.4","113.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C60 H70 F12 Mn2 N4 O10 P2 -","- C60 H50 F12 Mn2 N4 O10 P2 -","- C60 H50 F12 Mn2 N4 O10 P2 -","1","1","","Hirotsu, Masakazu; Ohno, Naoki; Nakajima, Takashi; Kushibe, Chie; Ueno, Keiji; Kinoshita, Isamu","Synthesis and characterization of xanthene-bridged Schiff-base dimanganese(III) complexes: bimetallic catalysts for asymmetric oxidation of sulfides.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","139","148","10.1039/b909491a","","","0.7107","MoKα","","","0.0545","","","","0.1507","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024087","8.337","0.0004","9.6409","0.0005","9.7024","0.0004","61.815","0.004","78.623","0.004","73.435","0.005","657.03","0.06","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H48 N3 Na Zn -","- C21 H48 N3 Na Zn -","- C21 H48 N3 Na Zn -","1","1","","Campbell, Ross; Conway, Ben; Fairweather, Graham S.; García-Alvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Gemma M.","cis-2,6-Dimethylpiperidide: a structural mimic for TMP (2,2,6,6-tetramethylpiperidide) or DA (diisopropylamide)?","Dalton transactions (Cambridge, England : 2003)","2010","39","2","511","519","10.1039/b910801g","","","1.5418","CuKα","","0.0658","0.0658","","","0.1841","0.1841","","","","","","1.061","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024668","8.411","0.002","9.72","0.002","13.536","0.003","76.463","0.004","78.265","0.004","67.402","0.004","985.3","0.4","202","2","202","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H47 Ga I2 N3 -","- C43 H47 Ga I2 N3 -","- C43 H47 Ga I2 N3 -","1","1","","Jurca, Titel; Dawson, Karl; Mallov, Ian; Burchell, Tara; Yap, Glenn P. A.; Richeson, Darrin S.","Disproportionation and radical formation in the coordination of ""GaI"" with bis(imino)pyridines.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1266","1272","10.1039/b920047a","","","0.71073","MoKα","","0.1283","0.0738","","","0.1589","0.1836","","","","","","1.032","","","","has coordinates","179951","2020-10-21","18:00:00",""
"7024931","15.4033","0.0002","16.4211","0.0003","17.0705","0.0002","77.2833","0.0008","66.7103","0.0009","63.252","0.0008","3536.91","0.1","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C154 H142 Au6 Cu2 F12 N6 O2 P8 -","- C154 H142 Au6 Cu2 F12 N6 O2 P8 -","- C154 H142 Au6 Cu2 F12 N6 O2 P8 -","1","1","","Koshevoy, Igor O.; Karttunen, Antti J.; Tunik, Sergey P.; Jänis, Janne; Haukka, Matti; Melnikov, Alexei S.; Serdobintsev, Pavel Yu; Pakkanen, Tapani A.","Reversible protonation of amine-functionalized luminescent Au-Cu clusters: characterization, photophysical and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2676","2683","10.1039/b922803a","","","0.71073","MoKα","","0.0316","0.0267","","","0.0552","0.0566","","","","","","1.071","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7024977","10.8712","0.0005","12.8003","0.0006","39.1692","0.0019","81.502","0.001","87.164","0.001","87.783","0.001","5381.4","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C82.67 H93.33 Fe K O9.67 -","- C82.6667 H93.3333 Fe K O9.66667 -","- C248 H280 Fe3 K3 O29 -","3","3","","Wolf, Robert; Ghavtadze, Nugzar; Weber, Katharina; Schnöckelborg, Eva-Maria; de Bruin, Bas; Ehlers, Andreas W.; Lammertsma, Koop","P-C dichotomy: divergent iron(-I)-mediated alkyne and phosphaalkyne cycloligomerisations.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1453","1456","10.1039/b923663p","","","0.71073","MoKα","","0.0873","0.0586","","","0.1244","0.14","","","","","","1.021","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7025032","9.0804","0.0005","9.1106","0.0009","9.3713","0.0005","100.727","0.004","110.589","0.003","98.244","0.004","694.44","0.09","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H28 As I2 P Pd -","- C27 H28 As I2 P Pd -","- C27 H28 As I2 P Pd -","1","1","","Ma, Mengtao; Lu, Ruifeng; Pullarkat, Sumod A.; Deng, Weiqiao; Leung, Pak-Hing","Steric effects on the control of endo/exo-selectivity in the asymmetric cycloaddition reaction of 3,4-dimethyl-1-phenylarsole.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5453","5461","10.1039/b924613d","","","0.71073","MoKα","","0.0533","0.0416","","","0.1011","0.1105","","","","","","1.095","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025147","10.3057","0.0017","14.806","0.002","15.877","0.003","107.701","0.002","107.261","0.002","99.251","0.002","2118.4","0.6","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C87 H96 Cl6 N12 Ni3 O3 -","- C87 H96 Cl6 N12 Ni3 O3 -","- C87 H96 Cl6 N12 Ni3 O3 -","1","1","","Shiga, Takuya; Newton, Graham N.; Mathieson, Jennifer S.; Tetsuka, Tamaki; Nihei, Masayuki; Cronin, Leroy; Oshio, Hiroki","Ferromagnetically coupled chiral cyanide-bridged {Ni6Fe4} cages","Dalton Transactions","2010","39","20","4730","","10.1039/b925399h","","","0.71073","MoKα","","0.0276","0.0269","","","0.0704","0.0709","","","","","","1.016","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025148","10.322","0.0017","14.819","0.003","15.883","0.003","107.65","0.003","107.289","0.002","99.278","0.003","2124.5","0.7","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C87 H96 Cl6 N12 Ni3 O3 -","- C87 H96 Cl6 N12 Ni3 O3 -","- C87 H96 Cl6 N12 Ni3 O3 -","1","1","","Shiga, Takuya; Newton, Graham N.; Mathieson, Jennifer S.; Tetsuka, Tamaki; Nihei, Masayuki; Cronin, Leroy; Oshio, Hiroki","Ferromagnetically coupled chiral cyanide-bridged {Ni6Fe4} cages","Dalton Transactions","2010","39","20","4730","","10.1039/b925399h","","","0.71073","MoKα","","0.0417","0.0385","","","0.0908","0.0923","","","","","","1.001","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025205","10.301","0.009","13.723","0.012","14.96","0.013","89.045","0.015","81.827","0.015","88.721","0.015","2093","3","133","2","133","2","","","","","","","","5","P 1","P 1","1","Phosphazene 2 with Benzene inclusion","Phosphazene 2 with Benzene inclusion","","- C15 H30 N6 O3 P3 -","- C15 H30 N6 O3 P3 -","- C60 H120 N24 O12 P12 -","4","4","","Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.","Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5341","5348","10.1039/b925734a","","","0.71073","MoKα","","0.1272","0.0877","","","0.1964","0.2173","","","","","","1.036","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025301","11.271","0.005","12.335","0.005","12.863","0.005","101.799","0.005","110.596","0.005","108.659","0.005","1481.2","1.1","298","2","298","2","","","","","","","","8","P 1","P 1","1","","","","- C12 H62 Cu3 N12 Na O46 P W11 -","- C12 H48 Cu3 N12 Na O46 P W11 -","- C12 H48 Cu3 N12 Na O46 P W11 -","1","1","","Zhang, Yi; Zhang, Ling; Hao, Zhaomin; Luo, Fang","Controlling the synthesis of novel chiral polyoxometalate-based compounds and racemic compounds from the same system.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7012","7016","10.1039/b926777h","","","0.71069","MoKα","","0.0418","0.0402","","","0.1007","0.1017","","","","","","1.045","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025303","11.2502","0.0009","12.3024","0.0009","12.8371","0.0017","101.784","0.001","110.573","0.001","108.701","0.001","1471.6","0.3","296","2","296","2","","","","","","","","8","P 1","P 1","1","","","","- C12 H62 Cu3 N12 Na O46 P W11 -","- C12 H48 Cu3 N12 Na O46 P W11 -","- C12 H48 Cu3 N12 Na O46 P W11 -","1","1","","Zhang, Yi; Zhang, Ling; Hao, Zhaomin; Luo, Fang","Controlling the synthesis of novel chiral polyoxometalate-based compounds and racemic compounds from the same system.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7012","7016","10.1039/b926777h","","","0.71073","MoKα","","0.0456","0.043","","","0.1131","0.116","","","","","","1.044","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025330","9.6936","0.0008","11.011","0.001","11.4489","0.001","66.414","0.004","89.999","0.004","89.894","0.004","1119.92","0.17","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C27 H22 O8 -","- C27 H22 O8 -","- C54 H44 O16 -","2","2","","Vetter, Cornelia; Pornsuriyasak, Papapida; Schmidt, Jürgen; Rath, Nigam P.; Rüffer, Tobias; Demchenko, Alexei V.; Steinborn, Dirk","Synthesis, characterization and reactivity of carbohydrate platinum(IV) complexes with thioglycoside ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6327","6338","10.1039/b927058b","","","0.71073","MoKα","","0.081","0.0602","","","0.1447","0.1593","","","","","","1.003","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025331","9.0867","0.0002","9.4434","0.0003","9.7789","0.0003","73.734","0.002","74.748","0.001","62.056","0.002","702.96","0.04","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C4 H16 B5 N O11 -","- C4 H16 B5 N O11 -","- C8 H32 B10 N2 O22 -","2","2","","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","","0.0525","0.0481","","","0.1183","0.123","","","","","","1.04","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025333","9.0614","0.0002","9.3967","0.0002","9.8368","0.0002","73.555","0.002","74.621","0.001","62.093","0.001","701.14","0.03","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C4 H16.33 B5 N O12.16 -","- C3.998 H16.324 B5 N0.9995 O12.164 -","- C7.996 H32.648 B10 N1.999 O24.328 -","2","2","","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","","0.0461","0.0409","","","0.0994","0.1046","","","","","","1.068","","","","has coordinates,has disorder","179959","2020-10-21","18:00:00",""
"7026722","9.4126","0.0019","9.941","0.002","12.019","0.002","66.53","0.03","76.86","0.03","86.97","0.03","1003.7","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H36 I8 N4 O4 Pb3 -","- C16 H36 I8 N4 O4 Pb3 -","- C16 H36 I8 N4 O4 Pb3 -","1","1","","Li, Hao-Hong; Chen, Zhi-Rong; Cheng, Li-Chuan; Wang, Yun-Jie; Feng, Miao; Wang, Min","Hybrid polymeric iodoplumbates constructed from morpholine and its derivatives: structures and properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11000","11007","10.1039/c0dt00622j","","","0.71073","MoKα","","0.0647","0.0505","","","0.1329","0.1489","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026757","9.6376","0.0003","9.8817","0.0003","10.2276","0.0003","80.05","0.001","74.53","0.001","87.55","0.001","924.62","0.05","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H38 Cu2 N2 O20 P6 -","- C28 H38 Cu2 N2 O20 P6 -","- C28 H38 Cu2 N2 O20 P6 -","1","1","","Zoń, Jerzy; Kong, Deyuan; Gagnon, Kevin; Perry, Houston; Holliness, LeAnthony; Clearfield, Abraham","Supramolecular networks of polymethylphosphonic acid groups bonded to aromatic platforms: biphenyldiyl-2,2'-bis(methylphosphonic acid) and benzenetriyl-1,3,5-tris(methylphosphonic acid).","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11008","11018","10.1039/c0dt00676a","","","0.71073","MoKα","","0.0343","0.0324","","","0.0766","0.0779","","","","","","1.033","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026758","9.7005","0.0011","9.8815","0.0011","10.2554","0.0018","80.103","0.008","74.147","0.005","87.824","0.006","931.5","0.2","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H38 Cu2 N2 O20 P6 -","- C28 H34 Cu2 N2 O20 P6 -","- C28 H34 Cu2 N2 O20 P6 -","1","1","","Zoń, Jerzy; Kong, Deyuan; Gagnon, Kevin; Perry, Houston; Holliness, LeAnthony; Clearfield, Abraham","Supramolecular networks of polymethylphosphonic acid groups bonded to aromatic platforms: biphenyldiyl-2,2'-bis(methylphosphonic acid) and benzenetriyl-1,3,5-tris(methylphosphonic acid).","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11008","11018","10.1039/c0dt00676a","","","0.71073","MoKα","","0.0463","0.04","","","0.0993","0.1027","","","","","","1.069","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026882","9.1257","0.0003","11.5661","0.0004","13.5882","0.0005","65.765","0.002","74.173","0.002","87.031","0.002","1255.28","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","(S,Δ,R,R)-(Tol2Bob)Ti(Taddol)","(S,Δ)-(2,2'-Biphenyl-bis(4-p-tolyl-2,4-butanedionato))titanium(IV)- (R,R-Taddol)","","- C65 H56 O8 Ti -","- C65 H56 O8 Ti -","- C65 H56 O8 Ti -","1","1","","Kongprakaiwoot, Natcharee; Armstrong, Jack B.; Noll, Bruce C.; Brown, Seth N.","Optically active bis(β-diketonate) complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10105","10115","10.1039/c0dt00828a","","","0.71073","MoKα","","0.0307","0.0283","","","0.0731","0.0744","","","","","","1.034","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7027135","12.171","0.002","13.098","0.002","14.221","0.003","100.74","0.01","104.32","0.02","115.38","0.01","1870.7","0.7","293","2","293","2","","","","","","","prepared as reported in the manuscript","6","P 1","P 1","1","CUTERADP","dihydrogenadenosin-5'-diphosphate(adenosin-5'-diphosphate)(terpyridine) rameate(II)of diaqua(terpyridine)copper(II) hexadeca hydrate.","","- C50 H84 Cu2 N16 O38 P4 -","- C50 H48 Cu2 N16 O38 P4 -","- C50 H48 Cu2 N16 O38 P4 -","1","1","","Cini, Renzo; Pifferi, Claudia","Supramolecular networks via hydrogen bonding and stacking interactions for adenosine 5′-diphosphate. Synthesis and crystal structure of diaqua(2,2′∶6′,2″-terpyridine)copper(II) [adenosine 5′-diphosphato(3−)](2,2′∶6′,2″-terpyridine)cuprate(II) adenosine 5′-diphosphate(1−) hexadecahydrate and density functional geometry optimization analysis of copper(II)- and zinc(II)-pyrophosphate complexes","Journal of the Chemical Society, Dalton Transactions","1999","","5","699","","10.1039/a807793b","","","0.71073","MoKα","","0.0909","0.0628","","0.2062","0.1429","","","","1.108","0.992","0.992","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027485","13.607","0.002","14.732","0.002","14.933","0.002","63.95","0.02","87.14","0.02","71.12","0.02","2529.6","0.9","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C100 H87 Cl2 N8 O6.5 Y2 -","- C100 H80 Cl2 N8 O7 Y2 -","- C100 H80 Cl2 N8 O7 Y2 -","1","1","","Wong, Wai-Kwok; Zhang, Lilu; Xue, Feng; Mak, Thomas C. W.","Synthesis, characterization and crystal structures of neutral mono- and di-nuclear lanthanide(III) porphyrinate complexes","Journal of the Chemical Society, Dalton Transactions","1999","","17","3053","","10.1039/a903127h","","","0.71073","MoKα","","0.1361","0.0779","","","0.1027","0.1863","","","","","","1.33","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027534","10.127","0.001","13.846","0.001","14.428","0.001","68.4","0.02","83.32","0.02","87.45","0.02","1868.2","0.4","298.2","","298.2","","","","","","","","","5","P 1","P 1","1","","","","- C37.5 H55.5 Mn N3 O2 -","- C39 H59 Mn N3 O2 -","- C78 H118 Mn2 N6 O4 -","2","2","","Ho, Chi-Ming; Lau, Tai-Chu; Kwong, Hoi-Lun; Wong, Wing-Tak","Activation of manganese nitrido complexes by Brønsted and Lewis acids. Crystal structure and asymmetric alkene aziridination of a chiral salen manganese nitrido complex","Journal of the Chemical Society, Dalton Transactions","1999","","15","2411","","10.1039/a903605i","","","0.7107","MoKalpha","","","0.0868","","","0.1006","","","","","2.325","2.325","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027664","7.6191","0.0015","12.213","0.002","18.533","0.004","70.909","0.002","85.774","0.002","83.702","0.002","1618.5","0.5","158","2","158","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 Co3 O19 -","- C25 H21 Co3 O19 -","- C50 H42 Co6 O38 -","2","2","","Kerr, Joy L.; Robinson, Brian H.; Simpson, Jim","Carbohydrates tagged with the CCo3(CO)9 cluster †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4165","","10.1039/a905300j","","","0.71073","MoKα","","0.0943","0.0734","","","0.1807","0.1896","","","","","","0.978","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027896","12.138","0.002","13.909","0.003","10.066","0.002","91.75","0.03","97.35","0.03","104.22","0.03","1630.4","0.6","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H49 Cl N O P Pd -","- C36 H39 Cl N O P Pd -","- C72 H78 Cl2 N2 O2 P2 Pd2 -","2","2","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Optically active cyclopalladated derivatives of arylimines. Crystal structures of (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)CHCH2CH2CHC(Me)2CHCH2](μ-X)}2] (X = Cl or Br), (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S )-CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2]Cl}2{Fe(δ5-C5H4PPh2)2}]","Journal of the Chemical Society, Dalton Transactions","1998","","7","1241","","10.1039/a708407b","","","0.71073","MoKα","","0.0494","0.0316","","0.0878","0.0788","","","","1.021","1.051","1.051","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027986","12.167","0.004","14.644","0.002","8.746","0.002","105.17","0.01","108.4","0.02","70.95","0.02","1375.6","0.6","294","2","294","2","","","","","","","synthesis","6","P 1","P 1","1","","","","- C14 H31.54 Cl2 N8 O14.77 Pt -","- C14 H18 Cl2 N8 O14.77 Pt -","- C28 H36 Cl4 N16 O29.54 Pt2 -","2","2","","Arpalahti, Jorma; Klika, Karel D.; Sillanpää, Reijo; Kivekäs, Raikko","Dynamic processes in platinum(II)‒adenosine complexes. Preparation, NMR spectroscopic characterisation and crystal structure of isomeric PtII(dien)‒adenosine complexes","Journal of the Chemical Society, Dalton Transactions","1998","","8","1397","","10.1039/a708955d","","","0.71069","MoKα","","0.0668","0.0438","","0.116","0.1057","","","","1.04","1.055","1.055","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7028458","10.42","0.0003","11.6201","0.0003","14.6854","0.0003","108.477","0.002","90.483","0.002","116.294","0.001","1488.64","0.07","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H40 F6 Ir N4 P -","- C30 H40 F6 Ir N4 P -","- C60 H80 F12 Ir2 N8 P2 -","2","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2971","2978","10.1039/c3dt52841c","","","0.71073","MoKα","","0.0341","0.0308","","","0.0722","0.0741","","","","","","1.024","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028459","10.3682","0.0002","10.7035","0.0002","14.4653","0.0002","106.24","0.001","96.264","0.001","90.771","0.001","1530.42","0.05","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H40 F6 Ir N4 P -","- C30 H40 F6 Ir N4 P -","- C60 H80 F12 Ir2 N8 P2 -","2","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2971","2978","10.1039/c3dt52841c","","","0.71073","MoKα","","0.0273","0.0258","","","0.0604","0.0614","","","","","","1.046","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028505","9.6561","0.0016","11.621","0.002","15.632","0.003","105.756","0.003","99.89","0.003","99","0.003","1624.5","0.5","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H28 F6 Ir N6 O4 P -","- C31 H24 F6 Ir N6 O2 P -","- C62 H48 F12 Ir2 N12 O4 P2 -","2","2","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0453","0.039","","","0.0785","0.0802","","","","","","0.942","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028640","13.8389","0.0014","18.353","0.0018","20.043","0.002","63.805","0.002","86.522","0.003","78.098","0.002","4466.9","0.8","291","2","291","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C152 H128 Cl8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Wu, Tao; Yao, Min-Xia; Li, Yi-Zhi; Zuo, Jing-Lin","Enantiopure heterobimetallic single-chain magnets from the chiral Ru(III) building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","933","936","10.1039/c3dt52951g","","","0.71073","MoKα","","0.0563","0.054","","","0.139","0.1398","","","","","","1.038","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028641","14.04","0.002","18.233","0.0019","20.1182","0.0013","65.524","0.002","87.796","0.003","78.23","0.003","4582.6","0.9","291","2","291","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C152 H128 Cl8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Wu, Tao; Yao, Min-Xia; Li, Yi-Zhi; Zuo, Jing-Lin","Enantiopure heterobimetallic single-chain magnets from the chiral Ru(III) building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","933","936","10.1039/c3dt52951g","","","0.71073","MoKα","","0.0491","0.0497","","","0.1185","0.1184","","","","","","1.027","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028653","12.485","0.0006","12.6993","0.0006","13.517","0.0007","83.416","0.001","75.649","0.001","86.307","0.001","2061.12","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H56 Al N3 O7 -","- C43 H56 Al N3 O7 -","- C86 H112 Al2 N6 O14 -","2","2","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0414","0.0373","","","0.0868","0.0897","","","","","","1.017","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028836","6.4908","0.0002","14.5434","0.0005","15.0317","0.0005","66.668","0.002","82.427","0.002","80.98","0.002","1283.01","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H36 Cl4 Cu F12 N4 O8 -","- C46 H36 Cl4 Cu F12 N4 O8 -","- C46 H36 Cl4 Cu F12 N4 O8 -","1","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","","0.0645","0.049","","","0.1359","0.1509","","","","","","1.058","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028837","8.2342","0.0005","19.7423","0.001","19.9269","0.0012","65.344","0.001","89.542","0.002","86.931","0.002","2939.4","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H42 Cl12 Cu2 N4 O12 -","- C44 H42 Cl12 Cu2 N4 O12 -","- C88 H84 Cl24 Cu4 N8 O24 -","2","2","","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","","0.116","0.0632","","","0.1394","0.1626","","","","","","1.031","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7029065","10.4041","0.0008","12.3307","0.0009","13.4434","0.0011","89.643","0.004","83.777","0.004","74.684","0.004","1653.1","0.2","203","2","203","2","","","","","","","","5","P 1","P 1","1","","Δ-Λ-rac-Bis{(R)-N-1-(3-methoxyphenyl)ethyl-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C40 H36 Cu N2 O4 -","- C40 H36 Cu N2 O4 -","- C80 H72 Cu2 N4 O8 -","2","2","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0784","0.0431","","","0.0788","0.0907","","","","","","0.961","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029066","10.3705","0.0013","12.2802","0.0016","13.3595","0.0016","88.882","0.009","83.365","0.009","74.444","0.008","1627.9","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Δ-Λ-rac-Bis{(R)-N-1-(3-methoxyphenyl)ethyl-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C40 H36 Cu N2 O4 -","- C40 H36 Cu N2 O4 -","- C80 H72 Cu2 N4 O8 -","2","2","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0638","0.0477","","","0.0926","0.0996","","","","","","1.01","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029215","5.0861","0.0002","14.8867","0.0008","22.8798","0.0011","98.776","0.004","94.498","0.003","96.439","0.002","1693.2","0.14","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H74 Cl10 Hg2 N4 O4 -","- C62 H74 Cl10 Hg2 N4 O4 -","- C62 H74 Cl10 Hg2 N4 O4 -","1","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","","0.0845","0.0558","","","0.12","0.1306","","","","","","1.013","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029480","9.0288","0.0005","9.0787","0.0004","11.5349","0.0006","71.459","0.004","80.307","0.004","65.603","0.005","815.64","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H48 Ge N2 -","- C37 H48 Ge N2 -","- C37 H48 Ge N2 -","1","1","","Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias","Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6006","6011","10.1039/c3dt53321b","","","0.71073","MoKα","","0.0224","0.0224","","","0.0582","0.0583","","","","","","1.049","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029607","6.8899","0.0001","7.4891","0.0001","9.0561","0.0001","113.723","0.0008","92.0237","0.0007","107.184","0.0006","402.305","0.01","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H18 Cl2 Fe N4 O -","- C13 H18 Cl2 Fe N4 O -","- C13 H18 Cl2 Fe N4 O -","1","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0229","0.0215","","","0.0488","0.0496","","","","","","1.084","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7030080","7.63","0.0004","10.8699","0.0007","11.767","0.0007","81.286","0.001","84.177","0.001","75.626","0.001","932.38","0.1","103","2","103","2","","","","","","","","5","P 1","P 1","1","","L-aqua(1,10-phenanthroline)(5-methyloxazolidine)copper(II) nitrate hydrate","","- C17 H19.25 Cu N4 O7.63 -","- C17 H19.25 Cu N4 O7.625 -","- C34 H38.5 Cu2 N8 O15.25 -","2","2","","Ng, Chew-Hee; Wang, Wai-San; Chong, Kok-Vei; Win, Yip-Foo; Neo, Kian-Eang; Lee, Hong-Boon; San, Swee-Lan; Raja Abd Rahman, Raja Noor Zaliha; Leong, Weng Kee","Ternary copper(II)-polypyridyl enantiomers: aldol-type condensation, characterization, DNA-binding recognition, BSA-binding and anticancer property.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10233","10243","10.1039/c3dt50884f","","","0.71073","MoKα","","0.029","0.0272","","","0.0703","0.0714","","","","","","1.043","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030081","7.6383","0.0003","10.8787","0.0004","11.775","0.0004","81.25","0.002","84.085","0.002","75.541","0.002","934.26","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","D-aqua(1,10-phenanthroline)(5-Methyloxazolidine)copper(II) nitrate","","- C17 H19.25 Cu N4 O7.63 -","- C17 H19.25 Cu N4 O7.625 -","- C34 H38.5 Cu2 N8 O15.25 -","2","2","","Ng, Chew-Hee; Wang, Wai-San; Chong, Kok-Vei; Win, Yip-Foo; Neo, Kian-Eang; Lee, Hong-Boon; San, Swee-Lan; Raja Abd Rahman, Raja Noor Zaliha; Leong, Weng Kee","Ternary copper(II)-polypyridyl enantiomers: aldol-type condensation, characterization, DNA-binding recognition, BSA-binding and anticancer property.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10233","10243","10.1039/c3dt50884f","","","0.71073","MoKα","","0.0367","0.0337","","","0.0873","0.0938","","","","","","1.074","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7031261","9.3436","0.0006","10.3905","0.0007","16.706","0.0013","93.176","0.001","104.556","0.001","91.995","0.001","1565.43","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","1,3-Di-<i>tert</i>-butyl-2,4-bis-<i>tert</i>-butylamino- 2-methyl-4-selenoxo-4λ^5^-[1,3,2,4]diazadiphosphetidin- 2-ium iodide toluene solvate","","- C24 H49 I N4 P2 Se -","- C24 H49 I N4 P2 Se -","- C48 H98 I2 N8 P4 Se2 -","2","2","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0295","0.0272","","","0.0554","0.056","","","","","","0.979","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031488","8.4814","0.0003","9.3314","0.0004","11.7613","0.0003","81.072","0.003","78.321","0.003","76.097","0.004","879.28","0.06","150","1","150","1","","","","","","","","6","P 1","P 1","1","","bis(μ-Bromo)-bis(N-(L-leucine)-N'-(pyridin-2-ylmethyl)oxalamidato-N,N'',O)- di-copper(II)","","- C30 H40 Br2 Cu2 N6 O8 -","- C30 H40 Br2 Cu2 N6 O8 -","- C30 H40 Br2 Cu2 N6 O8 -","1","1","","Zilić, Dijana; Rakvin, Boris; Milić, Dalibor; Pajić, Damir; Dilović, Ivica; Cametti, Massimo; Džolić, Zoran","Crystal structures and magnetic properties of a set of dihalo-bridged oxalamidato copper(ii) dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11877","11887","10.1039/c4dt00925h","","","0.71073","MoKα","","0.0211","0.0196","","","0.0502","0.0508","","","","","","1.039","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031834","15.245","0.003","16.34","0.003","16.867","0.003","116.77","0.03","105.89","0.03","95.67","0.03","3485.2","1.9","213","2","213","2","","","","","","","","7","P 1","P 1","1","[Ni2LMe(mu-L-prolinato)]BPh4","","","- C67 H92 B N7 Ni2 O2 S2 -","- C67 H92 B N7 Ni2 O2 S2 -","- C134 H184 B2 N14 Ni4 O4 S4 -","2","2","","Schnitter, Roland; Gallego, Daniel; Kersting, Berthold","Selective complexation of α-amino acids and simple peptides via their carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13637","13648","10.1039/c4dt02007c","","","0.71073","MoKα","","0.0419","0.0347","","","0.1003","0.1026","","","","","","0.991","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031835","14.0485","0.0004","15.2778","0.0004","16.2737","0.0003","113.857","0.002","97.723","0.002","111.779","0.002","2795.05","0.15","130","2","130","2","","","","","","","","7","P 1","P 1","1","[Ni2LMe(mu-L-tyrosinato)]ClO4x2.25MeCN","","","- C51.5 H80.75 Cl N9.25 Ni2 O7 S2 -","- C51.5 H80.75 Cl N9.25 Ni2 O7 S2 -","- C103 H161.5 Cl2 N18.5 Ni4 O14 S4 -","2","2","","Schnitter, Roland; Gallego, Daniel; Kersting, Berthold","Selective complexation of α-amino acids and simple peptides via their carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13637","13648","10.1039/c4dt02007c","","","0.71073","MoKα","","0.0465","0.0347","","","0.0877","0.0943","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031836","14.872","0.003","16.889","0.003","17.068","0.003","97.83","0.03","105.66","0.03","115.48","0.03","3565.9","1.9","213","2","213","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H101 B N10 Ni2 O3 S2 -","- C72 H101 B N10 Ni2 O3 S2 -","- C144 H202 B2 N20 Ni4 O6 S4 -","2","2","","Schnitter, Roland; Gallego, Daniel; Kersting, Berthold","Selective complexation of α-amino acids and simple peptides via their carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13637","13648","10.1039/c4dt02007c","","","0.71073","MoKα","","0.0729","0.0323","","","0.0646","0.0693","","","","","","0.718","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031862","5.7707","0.0002","7.0509","0.0003","19.2841","0.0008","90.775","0.003","93.694","0.003","105.743","0.003","753.25","0.05","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","1","1","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.044","0.0278","","","0.0377","0.0387","","","","","","1.008","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031863","5.7686","0.0005","7.0486","0.0005","19.2564","0.0016","90.725","0.006","93.641","0.007","105.836","0.007","751.37","0.11","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","1","1","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.0885","0.0668","","","0.1594","0.169","","","","","","1.141","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7032143","16.14","0.004","18.083","0.004","18.963","0.004","116.758","0.006","91.907","0.008","99.703","0.008","4833.6","1.9","200","","200","","","","","","","","","6","P 1","P 1","1","","(NEt4)2[MoO{S2C6H2{NHCOC(C6H4-t-Bu)3}2}2]-8(toluene)","","- C212 H268 Mo N6 O5 S4 -","- C212 H268 Mo N6 O5 S4 -","- C212 H268 Mo N6 O5 S4 -","1","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","","0.1227","0.0931","","","0.2515","0.2819","","","","","","1.032","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032724","11.576","0.0002","11.9927","0.0002","12.0811","0.0002","104.793","0.001","115.37","0.001","91.577","0.001","1447.1","0.05","85","2","85","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H76 Cl2 O13 P2 Ru -","- C60 H76 Cl2 O13 P2 Ru -","- C60 H76 Cl2 O13 P2 Ru -","1","1","","Slade, Angela T.; Lensink, Cornelis; Falshaw, Andrew; Clark, George R.; Wright, L. James","Ruthenium and osmium complexes of hemilabile chiral monophosphinite ligands derived from 1D-pinitol or 1D-chiro-inositol as catalysts for asymmetric hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17163","17171","10.1039/c4dt02558j","","","0.71073","mokα","","0.0513","0.0475","","","0.1189","0.1226","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032735","13.2812","0.0013","20.8357","0.0015","20.9023","0.0015","100.14","0.002","104.427","0.003","107.371","0.002","5146.3","0.7","291","2","291","2","","","","","","","","6","P 1","P 1","1","","","","- C92 H72 Mn2 N12 O8 Ru2 -","- C92 H72 Mn2 N12 O8 Ru2 -","- C184 H144 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0596","0.0569","","","0.1411","0.1416","","","","","","1.033","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032736","13.3357","0.0016","20.7715","0.0014","21.0323","0.0014","100.669","0.002","104.517","0.003","106.257","0.002","5206.2","0.8","291","2","291","2","","","","","","","","6","P 1","P 1","1","","","","- C92 H72 Mn2 N12 O8 Ru2 -","- C92 H72 Mn2 N12 O8 Ru2 -","- C184 H144 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0597","0.0562","","","0.1397","0.1403","","","","","","1.028","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032867","9.927","0.009","11.073","0.01","11.197","0.011","90.23","0.03","90.84","0.03","112.89","0.03","1133.7","1.8","123","2","123","2","","","","","","","","8","P 1","P 1","1","","","","- C46 H46 Cl2 Cu F6 N2 O2 P3 -","- C46 H46 Cl2 Cu F6 N2 O2 P3 -","- C46 H46 Cl2 Cu F6 N2 O2 P3 -","1","1","","Nishikawa, Michihiro; Sawamura, Shota; Haraguchi, Aya; Morikubo, Jun; Takao, Koichiro; Tsubomura, Taro","Highly emissive copper(I) complexes bearing diimine and bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","411","418","10.1039/c4dt03176h","","","0.7107","MoKα","","0.0823","0.0558","","","","0.138","","","","","","1.032","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032885","8.3108","0.0002","12.9109","0.0003","12.9173","0.0002","99.86","0.002","98.224","0.002","98.203","0.002","1331.5","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H76 B2 O4 Th -","- C59 H76.25 B2 O4 Th -","- C59 H76.25 B2 O4 Th -","1","1","","McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.","Arene-ligated heteroleptic terphenolate complexes of thorium.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17416","17421","10.1039/c4dt02995j","","","1.54184","CuKα","","0.0274","0.0274","","","0.0635","0.0635","","","","","","1.08","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7033030","10.2956","0.0007","11.69","0.0008","13.6363","0.0009","106.886","0.001","98.239","0.001","94.427","0.001","1541.95","0.18","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Dy N10 O8 S4 -","- C54 H87 Dy N10 O8 S4 -","- C54 H87 Dy N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0533","0.0523","","","0.1322","0.1335","","","","","","1.049","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033031","10.409","0.003","11.756","0.003","13.65","0.004","106.55","0.005","98.526","0.006","94.961","0.006","1568.8","0.8","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C53 H85 Dy N10 O8 S4 -","- C53 H85 Dy N10 O8 S4 -","- C53 H85 Dy N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0931","0.0722","","","0.1737","0.1941","","","","","","1.026","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033032","10.297","0.001","11.6829","0.0011","13.5696","0.0013","106.808","0.002","98.496","0.002","94.203","0.002","1533.9","0.3","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0508","0.0507","","","0.131","0.1313","","","","","","1.034","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033033","10.2833","0.0008","11.6475","0.0008","13.6139","0.001","106.8","0.001","98.131","0.001","94.398","0.001","1533.4","0.2","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0546","0.0534","","","0.1284","0.1298","","","","","","1.03","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033034","10.2722","0.0008","11.6628","0.0009","13.4833","0.0011","106.821","0.001","98.773","0.001","94.062","0.001","1516.8","0.2","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Er N10 O8 S4 -","- C54 H87 Er N10 O8 S4 -","- C54 H87 Er N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.067","0.0649","","","0.165","0.1693","","","","","","1.043","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033035","10.2345","0.0006","11.6666","0.0007","13.5492","0.0008","107.027","0.001","98.881","0.001","94.118","0.001","1516.57","0.16","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C53 H85 Er N10 O8 S4 -","- C53 H85 Er N10 O8 S4 -","- C53 H85 Er N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.06","0.0577","","","0.132","0.1344","","","","","","1.017","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033814","10.2833","0.0016","13.8961","0.0018","18.0725","0.0012","79.813","0.008","85.233","0.008","68.301","0.013","2361.3","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C76 H104 Cu2 Fe2 N26 O7 -","- C76 H90 Cu2 Fe2 N26 O7 -","- C76 H90 Cu2 Fe2 N26 O7 -","1","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.1088","0.0746","","","0.2114","0.2477","","","","","","1.051","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033815","10.2968","0.0006","13.7993","0.0008","17.7819","0.0009","80.207","0.004","84.697","0.004","69.378","0.005","2328.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C76 H112 Cu2 Fe2 N26 O11 -","- C76 H104 Cu2 Fe2 N26 O11 -","- C76 H104 Cu2 Fe2 N26 O11 -","1","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.0888","0.0658","","","0.1646","0.1804","","","","","","1.025","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033983","17.0608","0.0006","18.6696","0.0006","19.2836","0.0008","80.388","0.003","75.485","0.003","88.132","0.003","5862.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C238.05 H334.2 Al6 N6.6 O24 -","- C238.05 H334.2 Al6 N6.6 O24 -","- C238.05 H334.2 Al6 N6.6 O24 -","1","1","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","0.71073","MoKα","","0.1213","0.0865","","","0.2061","0.2415","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034018","10.971","0.003","12.137","0.003","15.696","0.004","89.991","0.002","90.03","0.001","112.009","0.003","1937.7","0.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H88 Cd2 N10 O14 -","- C82 H88 Cd2 N10 O14 -","- C82 H88 Cd2 N10 O14 -","1","1","","Zhang, Ming-Dao; Shi, Zhi-Qiang; Chen, Min-Dong; Zheng, He-Gen","Chiral crystallization and optical properties of three metal complexes based on two non-centrosymmetric tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5818","5825","10.1039/c5dt00292c","","","0.71073","MoKα","","0.0716","0.0706","","","0.1836","0.1853","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034279","17.37579","0.00016","18.2874","0.0002","32.7446","0.0002","77.6702","0.0008","78.5238","0.0007","64.3532","0.001","9096.12","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C300 H345 Cu12 N24 O105 -","- C300 H345 Cu12 N24 O105 -","- C300 H345 Cu12 N24 O105 -","1","1","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0494","0.0449","","","0.1183","0.1226","","","","","","1.045","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034361","9.1164","0.0005","9.1691","0.0005","9.5532","0.0007","75.798","0.005","69.608","0.004","82.611","0.005","724.81","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H17 B5 N O11.5 -","- C5 H17 B5 N O11.5 -","- C10 H34 B10 N2 O23 -","2","2","","Beckett, Michael A.; Coles, Simon J.; Davies, R. Andrew; Horton, Peter N.; Jones, Charlotte L.","Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7032","7040","10.1039/c5dt00248f","","","0.71075","MoKα","","0.036","0.0349","","","0.095","0.096","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034824","7.8115","0.0007","12.5241","0.0011","14.1328","0.0012","93.159","0.002","91.899","0.002","99.247","0.002","1361.4","0.2","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C22 H26 Ce Cu N5 O14 -","- C22 H26 Ce Cu N5 O14 -","- C44 H52 Ce2 Cu2 N10 O28 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0317","0.0305","","","0.0881","0.0891","","","","","","1.047","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034825","7.7396","0.0006","12.5347","0.001","14.1169","0.0011","93.38","0.002","91.777","0.002","99.381","0.002","1347.72","0.18","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C22 H26 Cu N5 Nd O14 -","- C22 H26 Cu N5 Nd O14 -","- C44 H52 Cu2 N10 Nd2 O28 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0322","0.0246","","","0.0492","0.0512","","","","","","1.048","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034827","9.2709","0.0005","12.0444","0.0007","12.2012","0.0007","101.526","0.001","95.207","0.001","90.353","0.001","1329.02","0.13","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu Eu N5 O13 -","- C22 H24 Cu Eu N5 O13 -","- C44 H48 Cu2 Eu2 N10 O26 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0314","0.0239","","","0.0461","0.0479","","","","","","1.038","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034828","9.266","0.0005","12.0433","0.0007","12.1879","0.0007","101.573","0.002","95.303","0.002","90.449","0.002","1326.25","0.13","100","2","99.96","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu Gd N5 O13 -","- C22 H24 Cu Gd N5 O13 -","- C44 H48 Cu2 Gd2 N10 O26 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0582","0.0392","","","0.0793","0.0855","","","","","","1.015","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034830","9.2637","0.0004","12.0257","0.0005","12.1769","0.0005","101.482","0.001","95.407","0.001","90.479","0.001","1322.96","0.1","101","2","101.1","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu N5 O13 Tb -","- C22 H24 Cu N5 O13 Tb -","- C44 H48 Cu2 N10 O26 Tb2 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0347","0.0256","","","0.0474","0.0498","","","","","","1.037","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034831","9.2947","0.0002","12.0714","0.0003","12.1819","0.0003","101.564","0.001","95.715","0.001","90.508","0.001","1331.83","0.05","138","2","138","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu Dy N5 O13 -","- C22 H24 Cu Dy N5 O13 -","- C44 H48 Cu2 Dy2 N10 O26 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0211","0.0189","","","0.0426","0.044","","","","","","1.143","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034916","8.752","0.001","9.3289","0.001","14.889","0.002","72.755","0.01","89.362","0.01","63.372","0.008","1027.2","0.2","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H63 Cl6 N9 O2 Zn3 -","- C28 H63 Cl6 N9 O2 Zn3 -","- C28 H63 Cl6 N9 O2 Zn3 -","1","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.1637","0.1012","","","0.2497","0.2773","","","","","","0.898","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7035032","10.613","0.004","12.785","0.005","23.303","0.009","102.43","0.005","97.226","0.005","106.143","0.005","2907.4","1.9","100","0.2","100","0.2","","","","","","","","7","P 1","P 1","1","[Ru(terpy)(L3)(CH3CN)](PF6)2","[Ru(terpy)(L3)(CH3CN)](PF6)2","","- C56 H68 F12 N6 O2 P2 Ru -","- C56 H68 F12 N6 O2 P2 Ru -","- C112 H136 F24 N12 O4 P4 Ru2 -","2","2","","Koshiyama, Tomomi; Kanda, Nao; Iwata, Koki; Honjo, Masayuki; Asada, Sana; Hatae, Tatsuru; Tsuji, Yasuhiro; Yoshida, Masaki; Okamura, Masaya; Kuga, Reiko; Masaoka, Shigeyuki; Ohba, Masaaki","Regulation of a cerium(iv)-driven O2 evolution reaction using composites of liposome and lipophilic ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15126","15129","10.1039/c5dt00793c","","","0.71073","MoKα","","0.1011","0.0634","","","0.1414","0.1555","","","","","","0.991","","","","has coordinates,has disorder","161713","2020-10-21","18:00:00",""
"7035130","6.783","0.003","8.81","0.002","9.363","0.007","65.79","0.09","87.94","0.12","85.27","0.09","508.6","0.6","297","","297","","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N4 O16 V2 -","- C12 H4 N4 O16 V2 -","- C12 H4 N4 O16 V2 -","1","1","","Lankelma, Marianne; de Boer, Jeroen; Ferbinteanu, Marilena; Dantas Ramos, André Luis; Tanasa, Radu; Rothenberg, Gadi; Tanase, Stefania","A novel one-dimensional chain built of vanadyl ions and pyrazine-2,5-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11380","11387","10.1039/c5dt01628b","","","0.71075","MoKα","","","0.0854","","","","0.2637","","","","","","1.083","","","","has coordinates","143551","2020-10-21","18:00:00",""
"7035258","5.8707","0.0013","9.289","0.002","11.82","0.003","103.04","0.003","92.48","0.003","99.805","0.003","616.5","0.2","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H31 N O2 -","- C34 H31 N O2 -","- C34 H31 N O2 -","1","1","","Kireenko, Marina M.; Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Churakov, Andrei V.; Lermontova, Elmira Kh; Zaitseva, Galina S.; Karlov, Sergey S.","Aluminum complexes based on pyridine substituted alcohols: synthesis, structure, and catalytic application in ROP.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11963","11976","10.1039/c5dt01001b","","","0.71073","MoKα","","0.0759","0.0483","","","0.0962","0.1068","","","","","","1.051","","","","has coordinates","143510","2020-10-21","18:00:00",""
"7035334","12.5581","0.0005","12.6724","0.0004","29.7591","0.0009","89.099","0.002","81.233","0.003","76.182","0.003","4544.1","0.3","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C87 H103.5 Cl4 N16.5 Ni2 O16 -","- C87 H103.5 Cl4 N16.5 Ni2 O16 -","- C174 H207 Cl8 N33 Ni4 O32 -","2","2","","Tsang, Chui-Shan; Chen, Lingjing; Li, Lu-Wei; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun","Metallosupramolecular Ni2L3 and Ni4L6 complexes of bis-bidentate pyridine-containing ligands: X-ray structures and catalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13087","13092","10.1039/c5dt01706h","","","1.54178","CuKα","","0.0529","0.0514","","","0.1479","0.1502","","","","","","1.035","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035416","9.1105","0.0005","10.3931","0.0006","24.1374","0.0014","93.0205","0.0019","93.3464","0.0018","91.2982","0.0019","2277.7","0.2","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C46 H55 Br2 Fe N3 O5 P2 -","- C46 H55 Br2 Fe N3 O5 P2 -","- C92 H110 Br4 Fe2 N6 O10 P4 -","2","2","","Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl","Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13071","13086","10.1039/c5dt00832h","","x-ray","0.71073","MoKα","","0.0553","0.0327","","","0.0347","0.0379","","","","0.93","0.93","0.87","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035426","11.0238","0.0006","11.3839","0.0006","11.6765","0.0006","61.913","0.002","66.372","0.002","65.614","0.002","1137.92","0.11","100","2","100","2","","","","","","","synthetical product","5","P 1","P 1","1","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol dimethylformamide adduct","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol dimethylformamide adduct","","- C51 H61 N O6 Si2 -","- C51 H61 N O6 Si2 -","- C51 H61 N O6 Si2 -","1","1","","Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf","Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12818","12823","10.1039/c5dt01992c","","","0.71073","MoKα","","0.054","0.0456","","","0.1168","0.1237","","","","","","1.023","","","","has coordinates","143705","2020-10-21","18:00:00",""
"7035448","11.3315","0.0004","11.9625","0.0003","18.7698","0.0005","77.888","0.002","74.092","0.003","64.932","0.003","2203.53","0.13","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C50 H71 B F Fe N -","- C50 H71 B F Fe N -","- C100 H142 B2 F2 Fe2 N2 -","2","2","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","1.5418","CuKα","","0.0589","0.0552","","0.1538","0.1493","0.1538","","","","","","0.9838","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035598","9.5162","0.0005","9.5686","0.0005","13.6954","0.0007","108.253","0.002","92.6578","0.0019","112.893","0.002","1070.67","0.1","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H55 Cl2 N3 O Zn -","- C47 H55 Cl2 N3 O Zn -","- C47 H55 Cl2 N3 O Zn -","1","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.038","0.0378","","","0.0975","0.0978","","","","","","1.043","","","","has coordinates,has disorder","181710","2020-10-21","18:00:00",""
"7035718","8.5888","0.0007","9.6908","0.0006","19.6231","0.0015","85.139","0.003","80.198","0.003","85.628","0.003","1600.5","0.2","150","2","150","2","","","","","","","","9","P 1","P 1","1","","","","- C53 H68 Br6 Fe2 Li2 O10 P2 S2 Zn2 -","- C53 H68 Br6 Fe2 Li2 O10 P2 S2 Zn2 -","- C53 H68 Br6 Fe2 Li2 O10 P2 S2 Zn2 -","1","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.054","0.0353","","","0.0634","0.0687","","","","","","1.007","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7036263","11.8012","0.001","15.9766","0.0013","16.0411","0.0013","111.881","0.001","107.739","0.001","94.235","0.001","2612.3","0.4","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C104 H84 Co2 N32 O14 -","- C104 H84 Co2 N32 O14 -","- C104 H84 Co2 N32 O14 -","1","1","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0649","0.0589","","","0.1681","0.1758","","","","","","1.067","","","","has coordinates","171106","2020-10-21","18:00:00",""
"7036420","7.7724","0.00014","9.2706","0.0017","10.851","0.002","105.763","0.002","101.288","0.002","90.422","0.003","736.39","0.19","90","2","90","2","","","","","","","","6","P 1","P 1","1","RM-6","","","- C26 H22 Cu2 N6 O10 S2 -","- C26 H22 Cu2 N6 O10 S2 -","- C26 H22 Cu2 N6 O10 S2 -","1","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.7749","synchrotron","","0.0477","0.0462","","","0.1214","0.1228","","","","","","1.035","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036462","9.8221","0.0004","10.6843","0.0004","12.2336","0.0005","66.396","0.002","80.267","0.002","64.934","0.002","1065.62","0.08","103","2","103","2","","","","","","","","7","P 1","P 1","1","","","","- C22 H23 Au Cl N2 O P -","- C22 H23 Au Cl N2 O P -","- C44 H46 Au2 Cl2 N4 O2 P2 -","2","2","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0379","0.0323","","","0.0716","0.0902","","","","","","0.982","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036591","7.6096","0.0004","8.1378","0.0005","12.6006","0.0007","97.757","0.002","91.847","0.002","101.157","0.002","757.18","0.07","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H22 Br2 N2 Ni S2 -","- C10 H22 Br2 N2 Ni S2 -","- C20 H44 Br4 N4 Ni2 S4 -","2","2","","Warner, D. S.; Limberg, C.; Oldenburg, F. J.; Braun, B.","Reaction of a polydentate cysteine-based ligand and its nickel(ii) complex with electrophilic and nucleophilic methyl-transfer reagents - from S-methylation to acetyl coenzyme A synthase reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18378","18385","10.1039/c5dt02828k","","","0.71073","MoKα","","0.0281","0.028","","","0.0754","0.0755","","","","","","1.048","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7037134","11.9578","0.0008","12.7183","0.0014","13.2817","0.0008","87.521","0.003","88.058","0.003","84.097","0.004","2006.4","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C9 H9 Cu F6 N6 P2 -","- C9 H9 Cu F6 N6 P2 -","- C36 H36 Cu4 F24 N24 P8 -","4","4","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.1133","0.0697","","","0.1768","0.1987","","","","","","1.064","","","","has coordinates,has disorder","176061","2020-10-21","18:00:00",""
"7037216","12.736","0.0007","12.849","0.0008","19.615","0.0012","104.74","0.001","97.67","0.001","95.197","0.001","3050.4","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H132 Ag2 Cl10 Cu12 N16 O81 -","- C57 H132 Ag2 Cl10 Cu12 N16 O81 -","- C57 H132 Ag2 Cl10 Cu12 N16 O81 -","1","1","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.0719","0.055","","","0.1238","0.1352","","","","","","1.034","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7037237","11.8905","0.0014","12.456","0.0016","13.6113","0.0017","72.344","0.005","66.193","0.004","73.679","0.004","1728.2","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","dh3_29","[(DO)2en(ImMe)2CoNa-15crown5][BPh4]2","","- C76 H88 B2 Co N8 Na O7 -","- C76 H88 B2 Co N8 Na O7 -","- C76 H88 B2 Co N8 Na O7 -","1","1","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.1308","0.0677","","","0.1102","0.1303","","","","","","0.994","","","","has coordinates","185385","2020-10-21","18:00:00",""
"7037245","7.031","0.002","10.364","0.003","15.232","0.005","70.75","0.03","82.43","0.02","82.66","0.03","1034.5","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","1","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","0.71073","MoKα","","0.049","0.0448","","","0.124","0.1264","","","","","","1.098","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037246","7.03","0.002","10.327","0.003","15.279","0.006","70.36","0.02","82.48","0.03","82.65","0.03","1031.5","0.6","129","2","129","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","1","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","0.71073","MoKα","","0.0306","0.0267","","","0.0599","0.0621","","","","","","0.996","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037248","9.024","0.003","9.93","0.003","12.671","0.004","78.01","0.03","86.5","0.03","72.57","0.02","1059.7","0.6","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C43 H56 D6 N2 O2 Zn2 -","- C43 H56 D6 N2 O2 Zn2 -","- C43 H56 D6 N2 O2 Zn2 -","1","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","0.71073","MoKα","","0.0577","0.048","","","0.1261","0.1306","","","","","","0.996","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037252","6.7984","0.0002","9.8513","0.0003","20.5988","0.0006","77.494","0.002","82.15","0.002","84.03","0.002","1330.25","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- As2 Cs O9.17 U -","- As2 Cs O9.16667 U -","- As12 Cs6 O55 U6 -","6","6","","Yu, Na; Kegler, Philip; Klepov, Vladislav V.; Dellen, Jakob; Schlenz, Hartmut; Langer, Eike M.; Bosbach, Dirk; Alekseev, Evgeny V.","Influence of extreme conditions on the formation and structures of caesium uranium(vi) arsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20735","20744","10.1039/c5dt03842a","","","0.71073","MoKα","","0.0404","0.0351","","","0.0989","0.1062","","","","","","0.772","","","","has coordinates","171244","2020-10-21","18:00:00",""
"7038115","10.7448","0.0004","13.4413","0.0005","19.2506","0.0008","90.229","0.001","102.887","0.001","94.797","0.001","2699.99","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C66 H64 F84 O20 Sm6 -","- C66 H64 F84 O20 Sm6 -","- C66 H64 F84 O20 Sm6 -","1","1","","Kuzyaev, D. M.; Balashova, T. V.; Burin, M. E.; Fukin, G. K.; Rumyantcev, R. V.; Pushkarev, A. P.; Ilichev, V. A.; Grishin, I. D.; Vorozhtsov, D. L.; Bochkarev, M. N.","Synthesis, structure and luminescent properties of lanthanide fluoroalkoxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3464","3472","10.1039/c5dt04636j","","","0.71073","MoKα","","0.082","0.0603","","","0.1527","0.1647","","","","","","1.044","","","","has coordinates","177846","2020-10-21","18:00:00",""
"7038142","10.843","0.002","12.324","0.002","18.699","0.003","77.714","0.002","81.478","0.002","71.588","0.002","2307.7","0.7","128","2","128","2","","","","","","","","7","P 1","P 1","1","Binolphosphine","","","- C36 H55 N4 O P Si3 Zr -","- C36 H55 N4 O P Si3 Zr -","- C72 H110 N8 O2 P2 Si6 Zr2 -","2","2","","Bange, Christine A.; Ghebreab, Michael B.; Ficks, Arne; Mucha, Neil T.; Higham, Lee; Waterman, Rory","Zirconium-catalyzed intermolecular hydrophosphination using a chiral, air-stable primary phosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1863","1867","10.1039/c5dt03544a","","","0.71073","","","0.0606","0.0485","","","0.1255","0.1327","","","","","","1.056","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7038901","15.6032","0.0015","18.1925","0.0016","27.533","0.003","83.987","0.003","88.579","0.003","71.944","0.002","7389.5","1.3","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C157 H109 N15 O6 Zn3 -","- C157 H109 N15 O6 Zn3 -","- C314 H218 N30 O12 Zn6 -","2","2","","Li, Li; Hu, Chuanjiang; Shi, Bo; Wang, Yong","Rationalization of chirality induction and inversion in a zinc trisporphyrinate by a chiral monoalcohol","Dalton Transactions","2016","45","19","8073","8080","10.1039/c6dt00570e","","","0.71073","MoKα","","0.0829","0.0505","","","0.119","0.1303","","","","","","1.016","","","","has coordinates","209625","2020-10-21","18:00:00",""
"7038914","12.778","0.003","13.713","0.004","14.08","0.004","84.199","0.011","71.851","0.009","85.416","0.011","2329.4","1.1","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C84 H69 B2 F48 Mg N O6 S2 -","- C84 H65 B2 F48 Mg N O6 S2 -","- C84 H65 B2 F48 Mg N O6 S2 -","1","1","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1374","0.0815","","","0.1926","0.2281","","","","","","1.018","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038915","12.792","0.002","13.802","0.002","13.953","0.002","83.273","0.007","73.413","0.006","84.567","0.007","2339.9","0.6","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C84 H69 B2 F48 Mg N O6 Se2 -","- C84 H65 B2 F48 Mg N O6 Se2 -","- C84 H65 B2 F48 Mg N O6 Se2 -","1","1","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1101","0.0782","","","0.1964","0.218","","","","","","0.94","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7039054","10.0461","0.0004","11.1268","0.0004","12.0608","0.0004","87.564","0.002","82.717","0.002","73.014","0.002","1278.93","0.08","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C50 H62 F12 N4 P2 S4 -","- C50 H62 F12 N4 P2 S4 -","- C50 H62 F12 N4 P2 S4 -","1","1","","Cox, Katrina; Kariuki, Benson M.; Smyth, Alexander; Newman, Paul D.","N2S2 and N4S4 precursors to PS2 macrocycles and cyclic amidinium salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8485","8493","10.1039/c6dt00806b","","","0.71073","MoKα","","0.1279","0.0905","","","0.2522","0.2723","","","","","","1.13","","","","has coordinates","185416","2020-10-21","18:00:00",""
"7039105","12.3943","0.0005","13.26","0.0006","14.1991","0.0006","102.772","0.002","104.015","0.002","90.825","0.002","2202.41","0.17","100","2","100","2","","","","","","","","8","P 1","P 1","1","MDRhS","","","- C40 H42 Cl4 F6 N4 P Rh S2 -","- C40 H42 Cl4 F6 N4 P Rh S2 -","- C80 H84 Cl8 F12 N8 P2 Rh2 S4 -","2","2","","Ma, Jiajia; Shen, Xiaodong; Harms, Klaus; Meggers, Eric","Expanding the family of bis-cyclometalated chiral-at-metal rhodium(iii) catalysts with a benzothiazole derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8320","8323","10.1039/c6dt01063f","","","0.71073","MoKα","","0.0401","0.0371","","","0.09","0.0915","","","","","","1.07","","","","has coordinates,has disorder","185415","2020-10-21","18:00:00",""
"7039367","8.7667","0.0015","11.5603","0.0019","12.315","0.002","64.61","0.003","78.219","0.003","88.125","0.003","1101.6","0.3","140","2","140","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H65 Mg N3 O Si2 -","- C45 H65 Mg N3 O Si2 -","- C45 H65 Mg N3 O Si2 -","1","1","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","0.71073","MoKα","","0.0714","0.058","","","0.1528","0.1728","","","","","","1.028","","","","has coordinates","185401","2020-10-21","18:00:00",""
"7039444","10.5901","0.0015","13.2993","0.0019","21.701","0.003","97.5","0.003","93.232","0.002","94.499","0.003","3014","0.7","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H38 Fe Mn N8 O4 S6 -","- C54 H38 Fe Mn N8 O4 S6 -","- C108 H76 Fe2 Mn2 N16 O8 S12 -","2","2","","Cui, Long; Lv, Zhong-Peng; Leong, Chanel F.; Ru, Jing; D'Alessandro, Deanna M; Song, You; Zuo, Jing-Lin","Chiral heterobimetallic chains from a dicyanideferrite building block including a π-conjugated TTF annulated ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16575","16584","10.1039/c6dt01756h","","","0.71073","MoKα","","0.1579","0.1338","","","0.3477","0.3758","","","","","","1.499","","","","has coordinates","188227","2020-10-21","18:00:00",""
"7039629","9.4015","0.0003","9.5499","0.0003","12.9102","0.0004","91.586","0.002","109.357","0.003","93.844","0.003","1089.6","0.06","150","2","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C23 H43 B N2 -","- C23 H43 B N2 -","- C46 H86 B2 N4 -","2","2","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.058","0.048","","","0.1159","0.1254","","","","","","1.0711","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039630","12.4169","0.0013","12.4961","0.0014","15.9381","0.0017","103.359","0.005","99.814","0.005","111.62","0.005","2145.7","0.4","150","2","149.93","","","","","","","","","5","P 1","P 1","1","","","","- C45 H38 B2 F20 N2 -","- C45 H38 B2 F20 N2 -","- C90 H76 B4 F40 N4 -","2","2","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0585","0.0386","","","0.095","0.11","","","","","","1.0425","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039807","12.964","0.001","15.316","0.001","15.8016","0.0008","65.84","0.006","87.478","0.005","71.397","0.005","2699.5","0.3","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C72 H85 Cu5 N10 O57.5 P12 -","- C72 H52 Cu5 N10 O57.5 P12 -","- C72 H52 Cu5 N10 O57.5 P12 -","1","1","","Quiñone, D; Veiga, N.; Torres, J.; Castiglioni, J.; Bazzicalupi, C.; Bianchi, A.; Kremer, C.","Synthesis, solid-state characterization and solution studies of new phytate compounds with Cu(ii) and 1,10-phenanthroline: progress in the structural elucidation of phytate coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12156","12166","10.1039/c6dt01460g","","","1.5418","CuKα","","0.1913","0.1215","","","0.2915","0.3673","","","","","","1.207","","","","has coordinates","185331","2020-10-21","18:00:00",""
"7040059","10.5073","0.0004","12.4401","0.0005","14.0349","0.0006","73.907","0.004","71.633","0.004","87.024","0.003","1671.58","0.13","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C73.09 H84.19 Au F6 N6 O0.77 P3 -","- C73.092 H84.184 Au F6 N6 O0.773 P3 -","- C73.092 H84.184 Au F6 N6 O0.773 P3 -","1","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","0.71073","MoKα","","0.0419","0.0412","","","0.091","0.0923","","","","","","1.026","","","","has coordinates,has disorder","186417","2020-10-21","18:00:00",""
"7040199","9.228","0.0002","9.2901","0.0002","12.6754","0.0003","91.268","0.002","110.4","0.002","113.798","0.002","914.96","0.04","112","2","112","2","","","","","","","","7","P 1","P 1","1","Triphos(Si)[Fe(NO)2]","Triphos(Si)[Fe(NO)2]","","- C40 H39 Fe N2 O2 P3 Si -","- C40 H39 Fe N2 O2 P3 Si -","- C40 H39 Fe N2 O2 P3 Si -","1","1","","Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P.","Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10271","10279","10.1039/c6dt01209d","","","1.54184","CuKα","","0.0239","0.0233","","","0.0608","0.0611","","","","","","1.033","","","","has coordinates","185061","2020-10-21","18:00:00",""
"7040545","11.7059","0.0002","16.9283","0.0003","17.995","0.0004","73.4211","0.0018","73.7906","0.0017","89.1816","0.0015","3273.52","0.12","150","0.2","150","0.2","","","","","","","","7","P 1","P 1","1","","","","- C70 H54 B F4 O6 P2 Rh -","- C70 H54 B F4 O6 P2 Rh -","- C140 H108 B2 F8 O12 P4 Rh2 -","2","2","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","1.54184","CuKα","","0.0539","0.0455","","","0.1105","0.1155","","","","","","1.053","","","","has coordinates,has disorder","188128","2020-10-21","18:00:00",""
"7040614","15.6943","0.0003","17.8805","0.0005","18.0418","0.0004","67.658","0.002","78.0034","0.0017","65.41","0.002","4250.73","0.19","140","0.1","140","0.1","","","","","","","","7","P 1","P 1","1","","","","- C78.25 H68.5 Ag B2 N11.5 O12.75 Zn2 -","- C78.25 H68 Ag B2 N11.5 O12.75 Zn2 -","- C156.5 H136 Ag2 B4 N23 O25.5 Zn4 -","2","2","","Marmier, Mathieu; Cecot, Giacomo; Vologzhanina, Anna V.; Bila, José L; Zivkovic, Ivica; Ronnow, Henrik M.; Nafradi, Balint; Solari, Euro; Pattison, Philip; Scopelliti, Rosario; Severin, Kay","Dinuclear clathrochelate complexes with pendent cyano groups as metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15507","15516","10.1039/c6dt02758j","","","0.71073","MoKα","","0.0716","0.0614","","","0.1513","0.1588","","","","","","1.003","","","","has coordinates,has disorder","188132","2020-10-21","18:00:00",""
"7040894","11.1045","0.0003","11.9991","0.0004","12.7949","0.0004","96.06","0.001","108.545","0.001","111.168","0.001","1459.66","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H21 N17 Si -","- C28 H21 N17 Si -","- C56 H42 N34 Si2 -","2","2","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0377","0.0359","","","0.0977","0.0998","","","","","","1.038","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7041315","6.7462","0.0008","10.0831","0.0011","10.6524","0.0012","87.226","0.005","83.19","0.004","86.503","0.004","717.53","0.14","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H38 Cu N4 O8 -","- C26 H38 Cu N4 O8 -","- C26 H38 Cu N4 O8 -","1","1","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.0776","0.0767","","","0.2057","0.207","","","","","","1.043","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7041511","12.75","0.0016","13.1264","0.0016","13.4477","0.0016","76.352","0.005","77.706","0.005","74.69","0.005","2082","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H60 Ga O6 -","- C42 H60 Ga O6 -","- C84 H120 Ga2 O12 -","2","2","","Das, Chinmoy; Shukla, Pragya; Sorace, Lorenzo; Shanmugam, Maheswaran","Structural and magnetic properties of semiquinonate based Al(iii) and Ga(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1439","1448","10.1039/c6dt04281c","","","0.71073","MoKα","","0.0456","0.042","","","0.097","0.0997","","","","","","1.029","","","","has coordinates","191670","2020-10-21","18:00:00",""
"7041711","6.931","0.0004","11.7421","0.0007","12.5963","0.0008","68.927","0.006","79.453","0.005","88.221","0.005","939.75","0.11","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C11 H21 Au Cl2 N4 O5 -","- C11 H21 Au Cl2 N4 O5 -","- C22 H42 Au2 Cl4 N8 O10 -","2","2","","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","","0.0257","0.0228","","","0.0535","0.0551","","","","","","1.058","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7042036","9.7612","0.001","10.9021","0.0019","13.4544","0.0015","80.71","0.014","69.632","0.011","75.476","0.013","1295","0.3","294","2","294","2","","","","","","","","5","P 1","P 1","1","","S,S-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene.triodide. Insulating phase","","- C14 H18 I3 O2 S8 -","- C14 H18 I3 O2 S8 -","- C28 H36 I6 O4 S16 -","2","2","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.71075","MoKα","","0.0932","0.0471","","","0.0906","0.1122","","","","","","0.963","","","","has coordinates,has disorder","195084","2020-10-21","18:00:00",""
"7042037","9.9238","0.0005","15.8805","0.0007","24.2594","0.001","91.3","0.004","101.304","0.004","95.309","0.004","3729.6","0.3","155","2","155","2","","","","","","","","5","P 1","P 1","1","","R,R-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene.triodide. Semiconducting phase, Z=6","","- C14 H18 I3 O2 S8 -","- C14 H18 I3 O2 S8 -","- C84 H108 I18 O12 S48 -","6","6","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.71075","MoKα","","0.0801","0.0636","","","0.1125","0.122","","","","","","1.055","","","","has coordinates,has disorder","195084","2020-10-21","18:00:00",""
"7042038","10.015","0.003","16.004","0.004","24.666","0.006","91.869","0.006","100.996","0.007","95.386","0.008","3858.6","1.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","S,S-Bis(2-hydroxypropylthio)(ethylenedithio)tetrathiafulvalene.triodide. Semiconducting phase, Z=6","","- C14 H18 I3 O2 S8 -","- C14 H18 I3 O2 S8 -","- C84 H108 I18 O12 S48 -","6","6","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.710747","MoKα","","0.1079","0.0645","","","0.166","0.2064","","","","","","1.071","","","","has coordinates,has disorder","195084","2020-10-21","18:00:00",""
"7042039","9.591","0.004","11.061","0.005","14.298","0.006","101.685","0.004","104.936","0.006","101.288","0.007","1385","1","294","2","294","2","","","","","","","","5","P 1","P 1","1","","(S,S-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene)2.octa-iodide. Insulating phase","","- C28 H36 I8 O4 S16 -","- C28 H36 I8 O4 S16 -","- C28 H36 I8 O4 S16 -","1","1","","Martin, Lee; Wallis, John D.; Guziak, Milena; Maksymiw, Peter; Konalian-Kempf, Florence; Christian, Anthony; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Enantiopure and racemic radical-cation salts of bis(2'-hydroxylpropylthio)(ethylenedithio)TTF with polyiodide anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4225","4234","10.1039/c6dt04645b","","","0.71075","MoKα","","0.0959","0.0618","","","0.1719","0.2094","","","","","","1.071","","","","has coordinates","195084","2020-10-21","18:00:00",""
"7042647","14.2067","0.0006","14.5629","0.0007","16.5401","0.0008","91.435","0.002","112.245","0.002","110.988","0.002","2905.6","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C108 H112 Br6 Mn7 N10 Na2 O21 -","- C108 H112 Br6 Mn7 N10 Na2 O21 -","- C108 H112 Br6 Mn7 N10 Na2 O21 -","1","1","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.0393","0.0304","","","0.073","0.0793","","","","","","1.058","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042650","16.5448","0.0015","19.9112","0.0019","20.663","0.002","114.549","0.004","91.914","0.005","90.337","0.004","6186.7","1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C217 H233 Br16 Mn16 N21 Na4 O49 -","- C217 H228 Br16 Mn16 N21 Na4 O49 -","- C217 H228 Br16 Mn16 N21 Na4 O49 -","1","1","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","","","0.1109","0.0536","","","0.1161","0.1344","","","","","","0.937","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042850","10.577","0.002","10.776","0.002","13.294","0.003","72.25","0.03","88.46","0.03","60.83","0.03","1246.5","0.7","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C52 H39 Br2 N3 Ni O2 -","- C52 H39 Br2 N3 Ni O2 -","- C52 H39 Br2 N3 Ni O2 -","1","1","","Mahmood, Qaiser; Zemg, Yanning; Wang, Xinxin; Sun, Yang; Sun, Wen Hua","Advancing polyethylene properties by incorporating ‒NO2 moiety in 1,2-bis(arylimino)acenaphthylylnickel precatalysts: Synthesis, characterization and ethylene polymerization","Dalton Trans.","2017","","","","","10.1039/C7DT01295K","","","0.71073","MoKα","","0.0442","0.0436","","","0.1154","0.1164","","","","","","1.053","","","","has coordinates","195889","2020-10-21","18:00:00",""
"7043250","7.2798","0.0005","10.3151","0.0007","20.0355","0.0014","102.173","0.001","93.914","0.001","100.832","0.001","1435.32","0.17","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H30 N4 O12 Pt2 -","- C24 H30 N4 O12 Pt2 -","- C48 H60 N8 O24 Pt4 -","2","2","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.0178","0.017","","","0.0397","0.0402","","","","","","0.761","","","","has coordinates","197550","2020-10-21","18:00:00",""
"7043281","11.835","0.003","14.997","0.004","16.445","0.004","85.18","0.003","84.602","0.003","82.019","0.003","2870.3","1.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H80 Mo6 N6 O18 -","- C41 H80 Mo6 N6 O18 -","- C82 H160 Mo12 N12 O36 -","2","2","","Hermosilla-Ibáñez, Patricio; Wrighton-Araneda, Kerry; Prado, Gaspar; Paredes-Garcia, Veronica; Pizarro, Nancy Alejandra; Vega, Andres; Venegas-Yazigi, Diego","The first ReI organometallic complex with an organoimido-polyoxometalate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01633F","","","0.71073","MoKα","","0.1506","0.0604","","","0.1093","0.1445","","","","","","1.004","","","","has coordinates,has disorder","197677","2020-10-21","18:00:00",""
"7043310","9.8858","0.0008","15.9533","0.0014","16.7037","0.0014","95.236","0.002","90.943","0.002","105.37","0.002","2527.3","0.4","296","2","296","2","","","","","","","Aluminum triisopropoxide, Orthophosphoric acid, Water, (S)-\a-Methylbenzylamine","6","P 1","P 1","1","","S-AlPO-CJ72","","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","1","1","","Yu, Yue; Zhu, Jingran; liu, jiancong; Yan, Yan; Song, Xiaowei","Synthesis and characterization of two layered aluminophosphates [R-C8H12N]8[H2O]2·[Al8P12O48H4] and [S-C8H12N]8[H2O]2·[Al8P12O48H4] with mirror symmetric feature and their proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT01643C","","","0.71073","MoKα","","0.0918","0.0576","","","0.1059","0.122","","","","","","0.987","","","","has coordinates","197790","2020-10-21","18:00:00",""
"7043311","9.8831","0.0005","15.9285","0.0009","16.7042","0.0009","95.204","0.001","90.93","0.001","105.339","0.001","2523.3","0.2","296","2","296","2","","","","","","","Aluminum triisopropoxide, Orthophosphoric acid, Water, (R)-\a-Methylbenzylamine","6","P 1","P 1","1","","R-AlPO-CJ72","","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","- C64 H104 Al8 N8 O50 P12 -","1","1","","Yu, Yue; Zhu, Jingran; liu, jiancong; Yan, Yan; Song, Xiaowei","Synthesis and characterization of two layered aluminophosphates [R-C8H12N]8[H2O]2·[Al8P12O48H4] and [S-C8H12N]8[H2O]2·[Al8P12O48H4] with mirror symmetric feature and their proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT01643C","","","0.71073","MoKα","","0.0659","0.0444","","","0.0666","0.072","","","","","","0.841","","","","has coordinates","197790","2020-10-21","18:00:00",""
"7043387","8.1267","0.0003","9.0933","0.0003","11.0788","0.0007","102.78","0.002","97.314","0.002","107.473","0.001","744.89","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H37 Cl2 O3 P Ru S -","- C30 H37 Cl2 O3 P Ru S -","- C30 H37 Cl2 O3 P Ru S -","1","1","","Biancalana, Lorenzo; Batchelor, Lucinda K.; De Palo, Alice; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","A general strategy to add diversity to ruthenium arene complexes with bioactive organic compounds via a coordinated (4-hydroxyphenyl)diphenylphosphine ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02062G","","","0.71073","MoKα","","0.0254","0.025","","","0.0638","0.064","","","","","","1.049","","","","has coordinates","197956","2020-10-21","18:00:00",""
"7043631","10.0847","0.0005","10.8676","0.0006","15.5684","0.0008","91.649","0.002","92.198","0.002","111.501","0.003","1584.65","0.15","89.9","0.2","89.9","0.2","","","","","","","","6","P 1","P 1","1","","","","- C35 H33 Cl2 Fe N3 O7 -","- C35 H33 Cl2 Fe N3 O7 -","- C70 H66 Cl4 Fe2 N6 O14 -","2","2","","Wieczorek, Anna; Błauż, Andrzej; Makal, Anna Maria; Rychlik, Blazej; Plazuk, Damian","Synthesis and evaluation of biological properties of ferrocenyl-podophyllotoxin conjugates","Dalton Trans.","2017","","","","","10.1039/C7DT02107K","","x-ray","0.71073","MoKα","","0.0272","0.0249","","","0.0614","0.0624","","","","","","1.036","","","","has coordinates","198742","2020-10-21","18:00:00",""
"7043691","9.0801","0.0003","10.787","0.0003","11.5849","0.0003","104.912","0.002","98.624","0.002","91.639","0.002","1081.41","0.06","183","2","183","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H14 F6 Li O6 Re S2 -","- C18 H14 F6 Li O6 Re S2 -","- C36 H28 F12 Li2 O12 Re2 S4 -","2","2","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0424","0.0372","","","0.0759","0.0806","","","","","","1.021","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043824","5.6286","0.0006","10.2605","0.0016","12.8165","0.0018","73.668","0.013","87.745","0.01","88.353","0.011","709.64","0.17","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C28 H35 Cl N2 O8 -","- C28 H35 Cl N2 O8 -","- C28 H35 Cl N2 O8 -","1","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.0739","0.0519","","0.074","0.0549","0.0519","","","","","","1.0854","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043828","10.888","0.0006","13.065","0.0012","15.922","0.0012","71.613","0.007","73.658","0.006","79.514","0.006","2051.6","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H42 Li2 Mn2 N6 O19 -","- C34 H40 Li2 Mn2 N6 O19 -","- C68 H80 Li4 Mn4 N12 O38 -","2","2","","Khannam, Mahmuda; Weyhermüller, Thomas; Goswami, Upashi; Mukherjee, Chandan","A highly stable l-alanine-based mono(aquated) Mn(ii) complex as a T1-weighted MRI contrast agent","Dalton Trans.","2017","","","","","10.1039/C7DT02282D","","","0.71073","MoKα","","0.0487","0.0381","","","0.0815","0.09","","","","","","1.027","","","","has coordinates","199359","2020-10-21","18:00:00",""
"7043832","10.1263","0.001","10.1718","0.0009","11.2367","0.001","81.148","0.006","66.376","0.006","74.572","0.006","1020.74","0.17","173","2","173","2","","","","","","","","6","P 1","P 1","1","(DIPP-NBN)Ca.(THF)4","","","- C40 H67 B Ca N2 O4 -","- C40 H67 B Ca N2 O4 -","- C40 H67 B Ca N2 O4 -","1","1","","Freitag, Benjamin; Fischer, Christian A.; Penafiel, Johanne; Ballmann, Gerd; Elsen, Holger; Färber, Christian; Piesik, Dirk F.; Harder, Sjoerd","Bora-amidinate as a cooperative ligand in group 2 metal catalysis","Dalton Trans.","2017","","","","","10.1039/C7DT02136D","","","0.71073","MoKα","","0.0984","0.0765","","","0.1811","0.1959","","","","","","1.116","","","","has coordinates","199361","2020-10-21","18:00:00",""
"7044094","12.4652","0.0003","14.2001","0.0004","15.2042","0.0004","97.541","0.002","94.028","0.001","101.067","0.001","2605.73","0.12","120","","120","","","","","","","","","7","P 1","P 1","1","","","","- C88 H88 Cu4 N8 Na4 O26 Si12 -","- C88 H88 Cu4 N8 Na4 O26 Si12 -","- C88 H88 Cu4 N8 Na4 O26 Si12 -","1","1","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","1.54178","CuKα","","0.0279","0.0275","","","0.0728","0.0731","","","","","","1.046","","","","has coordinates","200112","2020-10-21","18:00:00",""
"7044168","12.4023","0.0004","16.1328","0.0005","19.4673","0.0006","74.601","0.003","82.797","0.002","81.024","0.002","3694.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 1","P 1","1","","","","- C67 H95 Cl3 Dy N6 O7.5 Zn3 -","- C67 H90 Cl3 Dy N6 O7.5 Zn3 -","- C134 H180 Cl6 Dy2 N12 O15 Zn6 -","2","2","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","0.71073","MoKα","","0.0575","0.0493","","","0.1247","0.1305","","","","","","1.036","","","","has coordinates","200579","2020-10-21","18:00:00",""
"7044169","12.4388","0.0003","16.1852","0.0004","19.6324","0.0005","74.39","0.002","82.638","0.002","80.894","0.002","3743.48","0.17","173","0.1","173","0.1","","","","","","","","7","P 1","P 1","1","","","","- C132 H186 Cl6 Dy2 N12 O15 Zn6 -","- C132 H180 Cl6 Dy2 N12 O15 Zn6 -","- C132 H180 Cl6 Dy2 N12 O15 Zn6 -","1","1","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","0.71073","MoKα","","0.0513","0.043","","","0.1033","0.11","","","","","","1.012","","","","has coordinates","200579","2020-10-21","18:00:00",""
"7044170","12.4384","0.0004","16.3219","0.0005","19.7909","0.0006","74.076","0.003","82.733","0.002","80.874","0.002","3800.2","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H93 Cl3 N6 O7.5 Tb Zn3 -","- C66 H90 Cl3 N6 O7.5 Tb Zn3 -","- C132 H180 Cl6 N12 O15 Tb2 Zn6 -","2","2","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","1.54178","CuKα","","0.0665","0.0619","","","0.1662","0.1727","","","","","","1.04","","","","has coordinates,has disorder","200579","2020-10-21","18:00:00",""
"7044171","12.3376","0.0003","16.2163","0.0004","19.4135","0.0005","74.718","0.002","82.879","0.002","81.239","0.002","3688.67","0.16","100.2","0.9","100.2","0.9","","","","","","","","7","P 1","P 1","1","","","","- C66 H92 Cl3 N6 O7 Tb Zn3 -","- C66 H90 Cl3 N6 O7 Tb Zn3 -","- C132 H180 Cl6 N12 O14 Tb2 Zn6 -","2","2","","Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong","Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism","Dalton Trans.","2017","","","","","10.1039/C7DT02409F","","x-ray","0.71073","MoKα","","0.0778","0.0623","","","0.1405","0.1507","","","","","","1.042","","","","has coordinates,has disorder","200579","2020-10-21","18:00:00",""
"7044579","11.7442","0.0002","14.8795","0.0003","17.1035","0.0003","106.199","0.002","103.748","0.002","100.635","0.002","2685.21","0.1","100","0.3","100","2","","","","","","","","5","P 1","P 1","1","","","","- C102 H100 N8 O32.5 Ru6 -","- C102 H100 N8 O32.5 Ru6 -","- C102 H100 N8 O32.5 Ru6 -","1","1","","Ansari, Mohd. Asif; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Schwederski, Brigitte; Kaim, W.; Lahiri, Goutam Kumar","Non-innocence and mixed valency in tri- and tetranuclear ruthenium complexes of a heteroquinone bridging ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03509H","","","1.54184","CuKα","","0.0703","0.067","","","0.1754","0.179","","","","","","1.034","","","","has coordinates","202393","2020-10-21","18:00:00",""
"7045263","10.2297","0.0007","10.7327","0.0007","14.5425","0.001","82.165","0.001","74.831","0.001","66.027","0.001","1407.28","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H74 Cl4 N4 O2 P2 Pd2 -","- C55 H74 Cl4 N4 O2 P2 Pd2 -","- C55 H74 Cl4 N4 O2 P2 Pd2 -","1","1","","Passera, Alessandro; Iuliano, Anna; Pérez-Torrente, Jesús J; Passarelli, Vincenzo","Mechanistic insights into the tropo-inversion of the biphenyl moiety in chiral bis-amido phosphites and in their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2292","2305","10.1039/c7dt04829g","","","0.71073","MoKα","","0.0366","0.0328","","","0.0653","0.0681","","","","","","1.069","","","","has coordinates","229788","2020-10-21","18:00:00",""
"7045771","9.4397","0.0014","10.9574","0.0017","15.288","0.002","97.779","0.002","104.651","0.002","91.253","0.002","1513.2","0.4","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C64 H50 Cl2 Cu2 N10 O14 P2 -","- C64 H50 Cl2 Cu2 N10 O14 P2 -","- C64 H50 Cl2 Cu2 N10 O14 P2 -","1","1","","Shi, Xiangchao; Chen, Zhongyan; Wang, Yanjun; Guo, Zijian; Wang, Xiaoyong","Hypotoxic copper complexes with potent anti-metastatic and anti-angiogenic activities against cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5049","5054","10.1039/C8DT00794B","","","0.71073","MoKα","","0.0656","0.0509","","","0.1399","0.1625","","","","","","1.079","","","","has coordinates","229772","2020-10-21","18:00:00",""
"7045900","10.3177","0.0004","12.7035","0.0004","15.0982","0.0006","85.9475","0.0012","81.7449","0.0012","71.2831","0.001","1854.22","0.12","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H26 Cl2 O P Ru -","- C15 H26 Cl2 O P Ru -","- C60 H104 Cl8 O4 P4 Ru4 -","4","4","","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","","0.0492","0.0375","","","0.0891","0.0984","","","","","","1.042","","","","has coordinates,has disorder","229854","2020-10-21","18:00:00",""
"7046454","11.3183","0.0012","12.0408","0.0012","13.823","0.0013","65.85","0.004","89.91","0.004","75.722","0.004","1655.3","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C63 H52 Ag3 F9 N12 O10 S3 -","- C63 H52 Ag3 F9 N12 O10 S3 -","- C63 H52 Ag3 F9 N12 O10 S3 -","1","1","","Suntrup, Lisa; Kleoff, Merlin; Sarkar, Biprajit","Serendipitous discoveries of new coordination modes of the 1,5-regioisomer of 1,2,3-triazoles enroute to the attempted synthesis of a carbon-anchored tri-mesoionic carbene.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7992","8002","10.1039/c8dt01521j","","","0.71073","MoKα","","0.0583","0.0431","","","0.0826","0.0879","","","","","","1.019","","","","has coordinates,has disorder","229220","2020-10-21","18:00:00",""
"7046929","6.2281","0.0002","9.4499","0.0004","10.616","0.0007","73.814","0.005","80.723","0.006","75.136","0.005","577.24","0.05","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N4 O18 Sr2 -","- C12 H4 N4 O18 Sr2 -","- C12 H4 N4 O18 Sr2 -","1","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","","0.0447","0.0418","","","0.1125","0.1175","","","","","","1.083","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7047529","9.1282","0.0002","11.3329","0.0004","18.5868","0.0005","105.604","0.003","100.863","0.002","98.646","0.002","1777.19","0.1","150","","150","","","","","","","","from U of Wollongong","6","P 1","P 1","1","","","","- C35 H47 Cl3 N4 Ni O4 -","- C35 H47 Cl3 N4 Ni O4 -","- C70 H94 Cl6 N8 Ni2 O8 -","2","2","","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","","","1.54184","CuKα","","0.0496","0.0466","","0.1029","0.1009","0.1029","","","","","","1.0258","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7048146","11.6268","0.0004","12.1381","0.0005","13.2236","0.0004","88.667","0.003","70.775","0.003","64.619","0.004","1576.78","0.12","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C69 H93 N3 O P4 -","- C69 H93 N3 O P4 -","- C69 H93 N3 O P4 -","1","1","","Musina, E. I.; Naumov, R. N.; Kanunnikov, K. B.; Dobrynin, A. B.; Gómez-Ruiz, S; Lönnecke, P; Hey-Hawkins, E; Karasik, A. A.; Sinyashin, O. G.","Chiral [16]-ane P<sub>4</sub>N<sub>2</sub> macrocycles: stereoselective synthesis and unexpected intermolecular exchange of endocyclic fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16977","16984","10.1039/c8dt03214a","","","0.71073","MoKα","","0.0857","0.0519","","","0.1195","0.1282","","","","","","0.911","","","","has coordinates,has disorder","229688","2020-10-21","18:00:00",""
"7048224","12.297","0.0017","12.7497","0.0019","25.59","0.003","88.487","0.003","82.088","0.004","65.822","0.003","3623.3","0.9","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C29.67 H33.33 Fe O2.33 -","- C29.6667 H36 Fe O2.33333 -","- C178 H216 Fe6 O14 -","6","6","","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","","0.0933","0.071","","","0.1773","0.1937","","","","","","1.021","","","","has coordinates,has disorder","224414","2020-10-21","18:00:00",""
"7048228","10.0046","0.0004","11.4982","0.0006","11.6527","0.0005","64.265","0.002","74.577","0.002","77.079","0.003","1154.96","0.09","100","2","100.15","","","","","","","","","4","P 1","P 1","1","","","","- C29 H33 Fe O2.5 -","- C29 H33 Fe O2.5 -","- C58 H66 Fe2 O5 -","2","2","","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","","0.069","0.0566","","","0.1513","0.1613","","","","","","1.049","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048484","12.8688","0.0004","13.2752","0.0004","15.8294","0.0005","90.038","0.001","102.534","0.001","95.685","0.001","2626.11","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0379","0.0306","","","0.0685","0.0725","","","","","","1.044","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048485","12.8446","0.0009","13.253","0.0011","15.8329","0.0013","90.02","0.003","102.538","0.003","95.859","0.003","2616.5","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0334","0.0273","","","0.0604","0.0632","","","","","","1.056","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048486","12.8193","0.0004","13.2636","0.0005","15.7926","0.0006","89.848","0.002","77.537","0.001","84.055","0.001","2607.3","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0413","0.0338","","","0.0811","0.0851","","","","","","1.035","","","","has coordinates","224142","2020-10-21","18:00:00",""
"7048487","12.8163","0.0005","13.2907","0.0007","15.8134","0.0008","89.888","0.002","77.57","0.002","84.163","0.002","2616.3","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0221","0.0198","","","0.0507","0.0516","","","","","","1.027","","","","has coordinates","224142","2020-10-21","18:00:00",""
"7048488","12.8552","0.0005","13.2618","0.0006","15.8132","0.0007","90.122","0.002","102.58","0.002","95.812","0.002","2616.8","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0387","0.0294","","","0.0624","0.0664","","","","","","1.057","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048489","12.8145","0.0005","13.2959","0.0006","15.8108","0.0007","89.955","0.002","77.517","0.002","84.175","0.002","2616","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0286","0.0242","","","0.0569","0.0592","","","","","","1.08","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048668","13.3262","0.0002","14.2393","0.0002","23.9673","0.0004","73.606","0.001","88.232","0.001","89.787","0.001","4360.89","0.12","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C191 H190 Au2 F12 N8 O P10 -","- C191 H190 Au2 F12 N8 O P10 -","- C191 H190 Au2 F12 N8 O P10 -","1","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0892","0.055","","","0.0869","0.1022","","","","","","1.006","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048849","8.866","0.0006","9.3604","0.0007","11.0495","0.0008","82.031","0.002","82.674","0.002","66.299","0.002","828.93","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H20 B N -","- C21 H20 B N -","- C42 H40 B2 N2 -","2","2","","Ishibashi, Jacob S. A.; Darrigan, Clovis; Chrostowska, Anna; Li, Bo; Liu, Shih-Yuan","A BN anthracene mimics the electronic structure of more highly conjugated systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2807","2812","10.1039/c9dt00481e","","","0.71073","MoKα","","0.0492","0.0431","","","0.1179","0.1231","","","","","","1.032","","","","has coordinates","223959","2020-10-21","18:00:00",""
"7049393","12.8463","0.0004","13.0686","0.0004","19.1151","0.0006","107.7","0.003","94.743","0.003","93","0.003","3036.56","0.17","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C32 H48 Cu4 I34 N16 Sb10 -","- C32 H48 Cu4 I34 N16 Sb10 -","- C32 H48 Cu4 I34 N16 Sb10 -","1","1","","Dehnhardt, Natalie; Böth, André; Heine, Johanna","Surprising discoveries on the way to an old compound: four transient iodido antimonates","Dalton Transactions","2019","","","","","10.1039/C9DT00575G","","","0.71073","MoKα","","0.0532","0.035","","","0.0775","0.0801","","","","","","0.796","","","","has coordinates","214282","2020-10-21","18:00:00",""
"7049521","7.4893","0.0003","9.7967","0.0004","12.1077","0.0005","97.4994","0.0016","106.952","0.0016","107.569","0.0016","786.51","0.06","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H16 Cu N4 O7 -","- C15 H16 Cu N4 O7 -","- C30 H32 Cu2 N8 O14 -","2","2","","Lee, Khei Yan; Ng, Yi Ling; Wang, Wai San; Ng, Pei Ying; Chan, Cheang Wei; Lai, Jing Wei; Davamani, Fabian; Chitra, Ebenezer; Lim, Wei Meng; Ganguly, Rakesh; Maah, Mohd Jamil; Yip, Foo Win; Ng, Chew Hee","Enantiomeric pairs of ternary copper(ii) complexes and their aldol-type condensation products: synthesis, characterization, and anticancer and epigenetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4987","4999","10.1039/c9dt00506d","","","0.71073","MoKα","","0.0262","0.0244","","","0.0638","0.0645","","","","","","1.074","","","","has coordinates","224376","2020-10-21","18:00:00",""
"7049688","9.2835","0.0009","9.7312","0.001","12.3642","0.0012","70.161","0.003","87.658","0.003","83.006","0.003","1042.87","0.18","150","2","149.94","","","","","","","","","7","P 1","P 1","1","","","","- C39 H52 Au B F4 I N5 -","- C39 H52 Au B F4 I N5 -","- C39 H52 Au B F4 I N5 -","1","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0243","0.0243","","","0.0638","0.0638","","","","","","1.07","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049741","11.6227","0.0003","12.3603","0.0003","27.4728","0.0007","97.427","0.002","91.569","0.002","103.892","0.002","3792.16","0.17","193.15","","193.15","","","","","","","","","7","P 1","P 1","1","","","","- C78 H66 Cl4 Cu4 N2 O12 P4 -","- C78 H66 Cl4 Cu4 N2 O12 P4 -","- C156 H132 Cl8 Cu8 N4 O24 P8 -","2","2","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0695","0.0623","","","0.1691","0.1759","","","","","","1.073","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049752","14.3361","0.0005","15.8794","0.0006","21.5123","0.0007","78.636","0.003","74.66","0.003","83.84","0.003","4622.3","0.3","180.15","","180.15","","","","","","","","","6","P 1","P 1","1","","","","- C75 H58 Ag N2 O4 P4 -","- C75 H58 Ag N2 O4 P4 -","- C225 H174 Ag3 N6 O12 P12 -","3","3","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0764","0.0462","","","0.0781","0.0865","","","","","","0.899","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049792","12.0498","0.0003","19.1965","0.0004","29.6386","0.0007","88.484","0.002","87.353","0.002","80.481","0.002","6753","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C263 H227 Ag4 B4 F96 N12 -","- C263 H227 Ag4 B4 F96 N12 -","- C263 H227 Ag4 B4 F96 N12 -","1","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d<sup>10</sup> Ag(i) amine-borane σ-complex and comparison with a d<sup>8</sup> Rh(i) analogue: structures on the η<sup>1</sup> to η<sup>2</sup>:η<sup>2</sup> continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.052","0.0442","","","0.1127","0.12","","","","","","1.022","","","","has coordinates,has disorder","224059","2020-10-21","18:00:00",""
"7049856","15.2741","0.0001","16.0021","0.0001","26.7383","0.0003","83.018","0.001","74.7","0.001","62.547","0.001","5593.82","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C119 H119.99 Ge2 N10 O0.5 Pd6 -","- C119 H120.585 Ge2 N10 O0.5 Pd6 -","- C238 H241.17 Ge4 N20 O Pd12 -","2","2","","Koizumi, Take-Aki; Tanaka, Kimiya; Tsuchido, Yoshitaka; Tanabe, Makoto; Ide, Tomohito; Osakada, Kohtaro","Bimolecular fusion of [Pd<sub>3</sub>(μ-CN-C<sub>6</sub>H<sub>3</sub>Me<sub>2</sub>-2,6)<sub>3</sub>(CN-C<sub>6</sub>H<sub>3</sub>Me<sub>2</sub>-2,6)<sub>3</sub>] induced by Ph<sub>2</sub>GeH<sub>2</sub>: formation of the redox-active Pd<sub>6</sub>Ge<sub>2</sub> complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7541","7545","10.1039/c9dt00814d","","x-ray","1.54184","CuKα","","0.0287","0.0278","","","0.07","0.0705","","","","","","1.057","","","","has coordinates,has disorder","223825","2020-10-21","18:00:00",""
"7050048","10.7889","0.0006","10.8866","0.0006","17.2241","0.0009","73.146","0.001","88.623","0.001","86.943","0.001","1933.32","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H39 N5 O4 Zn -","- C46 H39 N5 O4 Zn -","- C92 H78 N10 O8 Zn2 -","2","2","","Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.","The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates","New Journal of Chemistry","2005","29","2","263","","10.1039/b413439g","","","0.71073","MoKα","","0.0391","0.0378","","","0.0903","0.0911","","","","","","1.046","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050116","7.5196","0.0015","8.1049","0.0016","11.426","0.002","101.53","0.03","96.26","0.03","100.54","0.03","663.1","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","Alex-3","","","- C10 H12 I N O6 S -","- C10 H12 I N O6 S -","- C20 H24 I2 N2 O12 S2 -","2","2","","Koposov, Alexey Y.; Nemykin, Victor N.; Zhdankin, Viktor V.","Intra- and intermolecular interactions in the solid state structure of 2-iodylbenzenesulfonamides: a heptacoordinated organic iodine(v) compound","New Journal of Chemistry","2005","29","8","998","","10.1039/b506573a","","","0.71073","MoKα","","0.0658","0.0654","","0.1524","0.1514","0.1514","","","","","","0.9737","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050486","8.5317","0.0003","9.7835","0.0005","11.7665","0.0006","112.465","0.003","102.759","0.003","96.788","0.003","862.55","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 As Li O3 -","- C36 H40 As2 Li2 O6 -","- C36 H40 As2 Li2 O6 -","1","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","130149","2020-10-21","18:00:00",""
"7050805","9.6329","0.0001","9.6281","0.0001","15.9051","0.0001","89.994","0.001","99.576","0.001","118.901","0.001","1267.91","0.02","183","2","183","2","","","","","","","","4","P 1","P 1","1","","((S,S)-2-[2'-(2''-Acetylamino-3''-methyl-butyrylamino)-phenylethynyl]-N- (1-methyl-carbamoyl-ethyl)-benzamide","","- C26 H30 N4 O4 -","- C26 H30 N4 O4 -","- C52 H60 N8 O8 -","2","2","","Erdélyi, Máté; Langer, Vratislav; Karlén, Anders; Gogoll, Adolf","Insight into β-hairpin stability: a structural and thermodynamic study of diastereomeric β-hairpin mimeticsElectronic supplementary information (ESI) available: temperature and concentration-dependent chemical shifts and melting curves of the investigated molecules in different solvents and details of the X-ray analysis. See http://www.rsc.org/suppdata/nj/b1/b111241d/","New Journal of Chemistry","2002","26","7","834","","10.1039/b111241d","","","0.71073","MoKα","","0.0929","0.0588","","","0.1352","0.1607","","","","","","0.992","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051106","11.6439","0.0001","12.7731","0.0002","15.5221","0.0003","81.983","0.001","71.16","","86.863","0.001","2163.43","0.06","293","2","","","","","","","","","","6","P 1","P 1","1","","","","- C77 H83 Cl16 Co N6 O8 -","- C77 H83 Cl16 Co N6 O8 -","- C77 H83 Cl16 Co N6 O8 -","1","1","","Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon","Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy","New J. Chem.","2001","25","5","714","720","10.1039/b100268f","","","0.71073","MoKα","","0.0796","0.0632","","0.1702","0.1576","","","","0.995","1.053","1.053","","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051212","11.915","0.003","12.05","0.004","13.544","0.002","105.67","0.02","99.141","0.01","93.4","0.02","1837.8","0.8","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C84 H108 N8 -","- C83 H106 N8 -","- C83 H106 N8 -","1","1","","Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec","Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores","New J. Chem.","2001","25","12","1553","1566","10.1039/b106096c","","","0.71069","MoKα","","0.2044","0.0776","","","0.2287","0.3179","","","","","","0.928","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051484","7.877","0.001","8.781","0.002","10.444","0.002","110.69","0.02","95.24","0.01","103.48","0.02","645.1","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C10 H36 Cl2 Nd2 O20 -","- C10 H12 Cl2 Nd2 O20 -","- C10 H12 Cl2 Nd2 O20 -","1","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a905284d","","","","","","","0.0347","","","0.0978","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051681","8.8481","0.0003","11.8842","0.0004","11.9786","0.0004","96.919","0.002","106.43","0.002","109.055","0.002","1110.04","0.07","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C24 H32 Cu N2 O4 -","- C24 H32 Cu N2 O4 -","- C48 H64 Cu2 N4 O8 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Woggon, Wolf-D.","In search of enantioselective catalysts for the Henry reaction: are two metal centres better than one?","New Journal of Chemistry","2009","33","5","1064","","10.1039/b821995h","","","0.71073","MoKα","","0.1012","0.0452","","0.0877","0.047","0.047","","","","","","1.1747","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051736","7.884","0.0005","24.18","0.0015","26.806","0.0016","114.619","0.009","92.681","0.009","96.014","0.01","4596.9","0.6","185","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C76 H82 N4 O2 -","- C76 H82 N4 O2 -","- C228 H246 N12 O6 -","3","3","","He, Yabing; Bian, Zheng; Kang, Chuanqing; Jin, Rizhe; Gao, Lianxun","Ultrasound-promoted chiral fluorescent organogel","New Journal of Chemistry","2009","33","10","2073","","10.1039/b909127k","","","0.71073","MoKα","","0.0914","0.0577","","","0.129","0.1474","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052016","13.1083","0.0002","13.113","0.0003","20.455","0.0004","89.958","0.001","89.993","0.001","89.977","0.001","3515.99","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C36 H48 N6 Zn -","- C36 H48 N6 Zn -","- C144 H192 N24 Zn4 -","4","4","","Zheng, Zhanjiang; Elmkaddem, Mohammed Kamal; Fischmeister, Cédric; Roisnel, Thierry; Thomas, Christophe M.; Carpentier, Jean-François; Renaud, Jean-Luc","Synthesis of new dipyridinylamine and dipyridinylmethane ligands and their coordination chemistry with Mg(ii) and Zn(ii)","New Journal of Chemistry","2008","32","12","2150","","10.1039/b807258b","","x-ray","0.71073","MoKα","","0.0845","0.0737","","","0.1805","0.1852","","","","","","1.303","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052392","11.2887","0.0009","11.8949","0.0009","11.9433","0.0009","117.911","0.008","98.65","0.009","91.797","0.009","1391.5","0.2","293","2","123","2","","","","","","","","6","P 1","P 1","1","Bis(potassium-(4,7,13,1621,24-Hexaoxa-1,10- diazabicyclo(8.8.8)hexacosane))-nonagermanid - ammonia(1/4)","Bis[potassium-(4,7,13,1621,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)]- nonagermanid - ammonia(1/4)","","- C36 H84 Ge5 K2 N8 O12 -","- C36 H84 Ge5 K2 N8 O12 -","- C36 H84 Ge5 K2 N8 O12 -","1","1","","Suchentrunk, Christof; Korber, Nikolaus","Ge52? Zintl anions: synthesis and crystal structures of [K([2.2.2]-crypt)]2Ge5?4NH3 and [Rb([2.2.2]-crypt)]2Ge5?4NH3","New Journal of Chemistry","2006","30","12","1737","","10.1039/b610547e","","","0.71073","MoKα","","0.0501","0.0449","","","0.1181","0.1205","","","","","","1.063","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052536","6.1083","0.0002","10.3445","0.0004","12.3439","0.0005","93.254","0.002","100.417","0.002","92.94","0.002","764.38","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","2-(((1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino)methyl)-4- nitrophenol","2-[{(1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino}methyl]-4-nitrophenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","2","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.0886","0.0613","","","0.1613","0.1787","","","","","","1.012","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052537","7.2044","0.0002","9.3402","0.0002","12.3377","0.0003","69.1986","0.001","80.3396","0.0009","75.9081","0.0009","749.7","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","2-(((1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino)methyl)-4- bromophenol","2-[{(1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino}methyl]-4-bromophenol","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C32 H32 Br2 N2 O4 -","2","2","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.0557","0.0432","","","0.108","0.1158","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052632","8.538","0.0002","12.9927","0.0003","18.7805","0.0005","106.57","0.001","90.837","0.001","92.743","0.001","1993.68","0.09","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H22 Cl2 F4 N4 O2 S6 -","- C43 H22 Cl2 F4 N4 O2 S6 -","- C86 H44 Cl4 F8 N8 O4 S12 -","2","2","","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","","0.0686","0.0576","","","0.1585","0.176","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052634","8.5594","0.0003","13.0019","0.0003","18.8153","0.0005","106.556","0.001","90.875","0.001","92.728","0.001","2003.93","0.1","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H22 Cl2 F4 N4 O2 S6 -","- C43 H22 Cl2 F4 N4 O2 S6 -","- C86 H44 Cl4 F8 N8 O4 S12 -","2","2","","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","","0.047","0.0409","","","0.1165","0.1325","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052639","14.9804","0.0015","15.6008","0.0015","19.252","0.002","84.728","0.003","75.56","0.003","75.295","0.003","4212.5","0.7","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H206 K4 O103 -","- C112 H156 K4 O103 -","- C112 H156 K4 O103 -","1","1","","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","","0.2978","0.1384","","","0.2808","0.3097","","","","","","2.075","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052679","12.7104","0.0005","12.8002","0.0005","18.2119","0.0007","80.389","0.002","74.396","0.002","81.914","0.002","2799.4","0.19","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H39 B F24 N7 Rh -","- C56 H39 B F24 N7 Rh -","- C112 H78 B2 F48 N14 Rh2 -","2","2","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.0643","0.0608","","","0.1511","0.1534","","","","","","2.732","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052714","7.7765","0.0006","8.343","0.0006","9.3377","0.0008","91.786","0.006","106.387","0.007","90.049","0.006","580.9","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C22 H28 N8 O4 -","2","2","","Jozak, Thomas; Sun, Yu; Thiel, Werner R.","Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles","New Journal of Chemistry","2011","35","10","2114","","10.1039/c1nj20148d","","","1.54184","CuKα","","0.0414","0.0398","","","0.1049","0.1061","","","","","","1.068","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052754","11.5872","0.0008","14.1039","0.0017","17.104","0.002","76.726","0.008","89.191","0.007","67.221","0.007","2499.6","0.5","293","2","293","2","","","","","","","","7","P 1","P 1","1","(S,S,S,S)-TMBEDT-TTF TRISPHAT","","","- C36 H22 Cl12 N2 O6 P S8 -","- C36 H22 Cl12 N2 O6 P S8 -","- C72 H44 Cl24 N4 O12 P2 S16 -","2","2","","Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis","Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion","New Journal of Chemistry","2011","35","10","2279","","10.1039/c1nj20310j","","","0.71073","MoKα","","0.1296","0.0522","","","0.0827","0.1034","","","","","","1.014","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052755","11.59","0.0007","14.1051","0.0009","17.1138","0.0008","76.714","0.004","89.17","0.004","67.16","0.005","2500.6","0.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","(R,R,R,R)-TMBEDT-TTF TRISPHAT","","","- C36 H22 Cl12 N2 O6 P S8 -","- C36 H22 Cl12 N2 O6 P S8 -","- C72 H44 Cl24 N4 O12 P2 S16 -","2","2","","Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis","Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion","New Journal of Chemistry","2011","35","10","2279","","10.1039/c1nj20310j","","","0.71073","MoKα","","0.134","0.0557","","","0.0752","0.0934","","","","","","1.051","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052907","9.0782","0.0018","11.603","0.002","12.489","0.003","102.76","0.03","100.94","0.03","90","0.03","1258.5","0.5","118","2","118","2","","","","","","","","6","P 1","P 1","1","","Tetrakis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-tricopper(II)","","- C16 H40 Br2 Cu3 N4 O4 -","- C16 H40 Br2 Cu3 N4 O4 -","- C32 H80 Br4 Cu6 N8 O8 -","2","2","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.1358","0.0994","","","0.2423","0.273","","","","","","0.994","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053191","6.5426","0.0004","10.6326","0.0006","12.1705","0.0007","77.018","0.002","74.588","0.002","87.095","0.002","795.3","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","1","1","","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","","0.0624","0.0492","","","0.125","0.134","","","","","","1.038","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053192","6.5431","0.0004","10.6318","0.0006","12.1564","0.0007","76.976","0.003","74.585","0.003","86.92","0.003","794.25","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","1","1","","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","","0.0806","0.057","","","0.1376","0.1524","","","","","","1.01","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053193","6.6076","0.0009","10.4384","0.0016","14.81","0.002","81.361","0.004","80.936","0.005","76.921","0.005","975.6","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","1","1","","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","","0.1556","0.0666","","","0.1306","0.1755","","","","","","1.006","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053194","6.6001","0.0001","10.4252","0.0002","14.7935","0.0002","81.367","0.001","80.888","0.001","76.888","0.001","971.93","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","1","1","","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","","0.053","0.0433","","","0.0972","0.103","","","","","","0.966","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053419","9.0758","0.0005","9.2281","0.0005","9.3635","0.0005","64.225","0.001","81.697","0.001","70.435","0.001","665.42","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H34 N4 O5 -","- C30 H34 N4 O5 -","- C30 H34 N4 O5 -","1","1","","Lenev, Denis A.; Lyssenko, Konstantin A.; Kostyanovsky, Remir G.","The chiral drug Albicar: resolution of its racemate via complexation with BINOL","New Journal of Chemistry","2010","34","3","403","","10.1039/b9nj00701f","","","0.71073","MoKα","","0.0329","0.0321","","","0.0856","0.0864","","","","","","1.021","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053549","5.3583","0.0005","5.8497","0.0006","10.4352","0.001","88.144","0.002","75.461","0.002","82.331","0.002","313.78","0.05","223","2","223","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H15 N O5 -","- C14 H15 N O5 -","- C14 H15 N O5 -","1","1","","Leong, Wei Lee; Vittal, Jagadese J.","Alkali metal ion directed self-assembled Ni(ii) molecular clusters","New Journal of Chemistry","2010","34","10","2145","","10.1039/c0nj00157k","","","0.71073","MoKα","","0.0398","0.0388","","","0.1007","0.1018","","","","","","1.07","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053624","9.147","0.005","9.219","0.002","14.604","0.003","97.973","0.005","104.956","0.004","104.565","0.005","1123.9","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H33 Cd2 N8 O11 -","- C40 H33 Cd2 N8 O11 -","- C40 H33 Cd2 N8 O11 -","1","1","","Aijaz, Arshad; Lama, Prem; Sañudo, E. Carolina; Mishra, Rupali; Bharadwaj, Parimal K.","Coordination polymers of various architectures built with mixed imidazole/benzimidazole and carboxylate donor ligands and different metal ions: syntheses, structural features and magnetic properties","New Journal of Chemistry","2010","34","11","2502","","10.1039/c0nj00302f","","","0.71073","MoKα","","0.057","0.0514","","","0.1375","0.1462","","","","","","1.094","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053697","10.857","0.0015","12.4706","0.0016","12.9263","0.0016","98.088","0.003","112.786","0.003","107.966","0.003","1465.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 N8 O5 S2 -","- C28 H38 N8 O5 S2 -","- C56 H76 N16 O10 S4 -","2","2","","Blondeau, Pascal; Benet-Buchholz, Jordi; de Mendoza, Javier","Enthalpy driven nitrate complexation by guanidinium-based macrocycles","New Journal of Chemistry","2007","31","5","736","","10.1039/b616409a","","","0.71073","MoKα","","0.0863","0.0812","","","0.2163","0.2213","","","","","","1.026","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053749","11.3081","0.0002","13.0763","0.0003","21.1935","0.0004","78.42","0.001","84.284","0.001","88.925","0.001","3054.79","0.11","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C129.5 H126 N8 O29.5 U4 -","- C129.5 H126 N8 O29.5 U4 -","- C129.5 H126 N8 O29.5 U4 -","1","1","","Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Nissinen, Maija; Rissanen, Kari","Specific recognition of fluoride anion using a metallamacrocycle incorporating a uranyl-salen unit","New Journal of Chemistry","2008","32","7","1113","","10.1039/b806149a","","","0.71069","MoKα","","0.0486","0.0442","","","0.1121","0.1186","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054222","8.401","0.0019","12.5882","0.0019","16.095","0.002","82.07","0.013","89.048","0.015","86.522","0.015","1682.7","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H60 Hg2 N8 S8 -","- C60 H60 Hg2 N8 S8 -","- C60 H60 Hg2 N8 S8 -","1","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.081","0.0622","","","0.1644","0.1809","","","","","","1.021","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054306","14.257","0.002","16.101","0.002","19.044","0.003","104.391","0.002","102.766","0.002","111.467","0.002","3697.2","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C14 H12 Cl18 Mn N9 O S -","- C14 H12 Cl18 Mn N9 O S -","- C56 H48 Cl72 Mn4 N36 O4 S4 -","4","4","","Shixaliyev, Namiq Q.; Gurbanov, Atash V.; Maharramov, Abel M.; Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Martins, Luísa M. D. R. S.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Pombeiro, Armando J. L.","Halogen-bonded tris(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-M(iii) [M = Mn, Fe, Co] complexes and their catalytic activity in the peroxidative oxidation of 1-phenylethanol to acetophenone","New J. Chem.","2014","38","10","4807","","10.1039/C4NJ00797B","","","0.71073","MoKα","","0.1573","0.0722","","","0.1074","0.122","","","","","","1.002","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054535","10.036","0.002","11.838","0.002","15.884","0.003","79.36","0.03","78.98","0.03","74.71","0.03","1768.7","0.6","12","","12","","","","","","","","","4","P 1","P 1","1","loxistatinic acid (E64c)","[(+)-(2S,3S)-3-(1-[N-(3-methylbutyl)amino]-leucylcarbonyl) oxirane-2-carboxylic acid]","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C60 H104 N8 O20 -","4","4","","Shi, Ming W.; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Schmidt, Thomas C.; Luger, Peter; Mebs, Stefan; Dittrich, Birger; Chen, Yu-Sheng; Bąk, Joanna M.; Jayatilaka, Dylan; Bond, Charles S.; Turner, Michael J.; Stewart, Scott G.; Spackman, Mark A.; Grabowsky, Simon","Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)","New J. Chem.","2015","39","3","1628","","10.1039/C4NJ01503G","","","0.3936","synchrotron","","0.1179","0.1099","","","0.2679","0.2735","","","","","","1.102","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054687","8.999","0.004","14.013","0.006","14.873","0.006","66.19","0.02","75.21","0.03","73.6","0.02","1624.6","1.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Aib-R-Gamma-Leu]2-OMe","t-Butyloxycarbonyl-[alanyl-R-gamma-leucyl]2-methyl ester","","- C28 H52 N4 O7 -","- C28 H52 N4 O7 -","- C56 H104 N8 O14 -","2","2","","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","","","0.71073","MoKα","","0.3763","0.0801","","","0.1281","0.2271","","","","","","0.849","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054690","5.0768","0.0011","8.924","0.002","25.12","0.006","98.67","0.013","94.399","0.014","99.374","0.014","1104","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Gamma-R-Leu]2-Delta-R-Leu-Gamma-R-Leu-OMe","t-Butyloxycarbonyl-[R-gamma-Leucyl]2-R-delta-Leucyl-R-gamma-Leucyl-methyl ester","","- C39 H74 N4 O7 -","- C39 H74 N4 O7 -","- C39 H74 N4 O7 -","1","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","","","0.71073","MoKα","","0.1583","0.0701","","","0.1818","0.2308","","","","","","0.994","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054695","9.901","0.002","10.527","0.003","10.553","0.002","100.403","0.012","106.665","0.013","93.047","0.014","1029.9","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Aib-S-Gamma-Val]2-OMe","t-Butyloxycarbonyl-[alpha Amino isobutyryl-S-gamma-leucyl]2-methyl ester","","- C33 H63 N5 O8 -","- C33 H63 N5 O8 -","- C33 H63 N5 O8 -","1","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","","","0.71073","MoKα","","0.2325","0.0856","","","0.2109","0.2875","","","","","","0.905","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054770","7.074","0.002","9.8727","0.0004","17.1493","0.0008","81.198","0.002","89.999","0.008","69.007","0.018","1103.1","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H21 N3 O2 -","- C29 H21 N3 O2 -","- C58 H42 N6 O4 -","2","2","","Maria Xavier, A. John; Samy, N. Arockia; Paul, M. Wilson Bosco; Brainard, B.; Letticia, M.; Alexander, V.","A new heterometallic terbium(iii)‒ruthenium(ii) complex and its terbium(iii)‒zinc(ii) analog: syntheses, characterization, luminescence, and electrochemical properties","New J. Chem.","2015","39","6","4284","","10.1039/C5NJ00082C","","","0.71073","MoKα","","0.0566","0.0404","","","0.0971","0.1201","","","","","","1.092","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7055020","8.59","0.005","10.579","0.005","18.094","0.005","83.522","0.005","84.936","0.005","69.681","0.005","1530","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C33.5 H30 Cl Cu N3 O5.5 -","- C33.5 H30 Cl Cu N3 O5.5 -","- C67 H60 Cl2 Cu2 N6 O11 -","2","2","","Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur","Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen","New J. Chem.","2015","39","10","7895","","10.1039/C5NJ01059D","","","0.71073","MoKα","","0.0599","0.0406","","","0.0952","0.1053","","","","","","0.973","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7055629","8.8305","0.0017","9.1614","0.0018","16.76","0.003","75.104","0.005","81.51","0.005","77.835","0.005","1274.6","0.4","101","2","101","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H53 F12 N5 O12 S2 -","- C45 H53 F12 N5 O12 S2 -","- C45 H53 F12 N5 O12 S2 -","1","1","","Zdanowski, Szymon; Piątek, Piotr; Romański, Jan","An ion pair receptor facilitating the extraction of chloride salt from the aqueous to the organic phase","New J. Chem.","2016","40","8","7190","","10.1039/C6NJ01482H","","","0.71073","MoKα","","0.0248","0.0233","","","0.0552","0.0559","","","","","","1.039","","","","has coordinates","185612","2020-10-21","18:00:00",""
"7055681","11.2964","0.0008","18.8819","0.0014","20.7624","0.0013","87.453","0.005","89.238","0.004","83.96","0.005","4399.5","0.5","298","2","298","2","","","","","","","","6","P 1","P 1","1","2- Ni-tpmc-binuclear complex","[Ni2(tpmc)(?-NO3)](NO3)3 (H2O)2.3H2O","","- C68 H108 Li2 N24 Ni4 O35.5 -","- C68 H108 Li2 N24 Ni4 O35.5 -","- C136 H216 Li4 N48 Ni8 O71 -","2","2","","Ruiz-Herrera, Brenda Lizette; Flores-Álamo, Marcos; Toscano, Rubén Alfredo; Escudero, Roberto; Sosa-Torres, Martha Elena","Adsorption of water induces a reversible structural phase transition and colour change in new nickel(ii) macrocyclic complexes forming flexible supramolecular networks","New J. Chem.","2016","40","9","7465","","10.1039/C6NJ01621A","","","0.71073","MoKα","","0.0846","0.0626","","","0.1556","0.1705","","","","","","1.017","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055989","8.3886","0.0007","9.0069","0.0008","14.5283","0.0013","76.634","0.008","89.729","0.007","64.661","0.008","959.66","0.17","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C53 H36 Br2 -","- C53 H36 Br2 -","- C53 H36 Br2 -","1","1","","Khasanov, Albert F.; Kopchuk, Dmitry S.; Kovalev, Igor S.; Taniya, Olga S.; Giri, Kousik; Slepukhin, Pavel A.; Santra, Sougata; Rahman, Matiur; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives","New J. Chem.","2017","41","6","2309","","10.1039/C6NJ02956F","","","0.7107","MoKα","","0.0751","0.0509","","","0.1305","0.1536","","","","","","1.006","","","","has coordinates","195150","2020-10-21","18:00:00",""
"7056024","16.254","0.003","16.408","0.003","17.493","0.003","111.443","0.006","93.798","0.006","103.048","0.006","4172.9","1.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C167 H144.5 Cl2 Mn8 N10.5 O55.5 -","- C167 H143.5 Cl2 Mn8 N10.5 O55.5 -","- C167 H143.5 Cl2 Mn8 N10.5 O55.5 -","1","1","","Escriche-Tur, Luis; Albela, Belén; Font-Bardia, Mercè; Corbella, Montserrat","Singlet ground states in compounds with a [MnIII4O2]8+ core due to broken degeneration","New J. Chem.","2017","41","8","2934","","10.1039/C6NJ03845J","","","0.71073","MoKα","","0.0428","0.0397","","","0.106","0.1104","","","","","","1.105","","","","has coordinates","196477","2020-10-21","18:00:00",""
"7056043","9.304","0.0002","10.1733","0.0002","13.5601","0.0003","73.671","0.001","87.586","0.001","63.534","0.001","1097.46","0.04","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H26 N O2 P Pt S -","- C23 H26 N O2 P Pt S -","- C46 H52 N2 O4 P2 Pt2 S2 -","2","2","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.0513","0.0471","","","0.119","0.1214","","","","","","1.037","","","","has coordinates","196490","2020-10-21","18:00:00",""
"7056205","12.7372","0.001","13.5883","0.0012","26.157","0.003","82.596","0.003","76.789","0.003","82.552","0.003","4347","0.7","150","","150","","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C97.5 H77.5 Cl4.5 N10 O8 -","- C97.5 H77.5 Cl4.5 N10 O8 -","- C195 H155 Cl9 N20 O16 -","2","2","","Gallo, Emma; Carminati, Daniela; Intrieri, Daniela; Le Gac, Stéphane; Roisnel, Thierry; Boitrel, Bernard; Toma, Lucio; Legnani, Laura","Synthesis, Characterisation and Catalytic Use of Iron Porphyrin Amino Ester Conjugates","New J. Chem.","2017","","","","","10.1039/C7NJ01189J","","x-ray","0.71073","MoKα","","0.0993","0.0811","","","0.2286","0.249","","","","","","1.101","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7056371","10.5484","0.0016","11.4088","0.0014","13.033","0.002","66.797","0.015","67.828","0.015","89.922","0.011","1314.8","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H44 Cl2 N14 O8 Pd2 -","- C52 H44 Cl2 N14 O8 Pd2 -","- C52 H44 Cl2 N14 O8 Pd2 -","1","1","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01604B","","","0.71073","MoKα","","0.0275","0.0258","","","0.0589","0.0605","","","","","","1.026","","","","has coordinates","198130","2020-10-21","18:00:00",""
"7056588","11.5443","0.0003","11.6413","0.0003","15.0137","0.0004","74.386","0.002","69.643","0.002","74.148","0.002","1785.5","0.09","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H19 Cl Cu N7 O2.5 S -","- C13 H19 Cl Cu N7 O2.5 S -","- C52 H76 Cl4 Cu4 N28 O10 S4 -","4","4","","Shen, Fang; Liu, Ya-Xian; Li, Shu-Min; Jiang, Chi-Kun; Wang, Bing-Feng; Xiong, Yahong; Mao, Zong-Wan; Le, Xue-Yi","Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA","New J. Chem.","2017","","","","","10.1039/C7NJ02351K","","","1.54184","CuKα","","0.0359","0.0356","","","0.0998","0.1001","","","","","","1.041","","","","has coordinates","200766","2020-10-21","18:00:00",""
"7056589","11.462","0.0003","13.0187","0.0005","21.6957","0.0004","83.139","0.002","76.475","0.002","70.908","0.003","2971.27","0.16","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl Cu N7 O4 -","- C17 H22 Cl Cu N7 O4 -","- C102 H132 Cl6 Cu6 N42 O24 -","6","6","","Shen, Fang; Liu, Ya-Xian; Li, Shu-Min; Jiang, Chi-Kun; Wang, Bing-Feng; Xiong, Yahong; Mao, Zong-Wan; Le, Xue-Yi","Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA","New J. Chem.","2017","","","","","10.1039/C7NJ02351K","","","0.71073","MoKα","","0.0322","0.0276","","","0.062","0.0644","","","","","","1.022","","","","has coordinates","200766","2020-10-21","18:00:00",""
"7056613","6.0766","0.0004","9.436","0.0003","9.7318","0.0004","73.389","0.003","72.298","0.004","84.89","0.004","509.4","0.04","295","2","295","2","","","","","","","","5","P 1","P 1","1","","5-(N-benzyl)amino-5-deoxy-1,2-O-isopropylidene-3-O-methyl-a-D-xylo-furanosyl)-(R,S)-2,3,3,3-tetrafluoropropanamide","","- C19 H23 F4 N O5 -","- C19 H23 F4 N O5 -","- C19 H23 F4 N O5 -","1","1","","Bilska-Markowska, Monika; Siodła, Tomasz; Patyk, Ewa; Katrusiak, Andrzej; Koroniak, Henryk","The conformations of new CF3 and CF3-CHF containing amides derived from carbohydrates: NMR, crystallographic and DFT study","New J. Chem.","2017","","","","","10.1039/C7NJ02986A","","x-ray","1.54184","CuKα","","0.0838","0.0782","","","0.2411","0.2534","","","","","","1.106","","","","has coordinates","201019","2020-10-21","18:00:00",""
"7057111","9.7961","0.001","11.3348","0.0016","15.5663","0.0015","85.817","0.004","84.393","0.004","76.837","0.004","1672.7","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H34.5 Cl1.5 N7 O6 -","- C33 H34.5 Cl1.5 N7 O6 -","- C66 H69 Cl3 N14 O12 -","2","2","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.0788","0.0566","","","0.1134","0.127","","","","","","1.078","","","","has coordinates,has disorder","230423","2020-10-21","18:00:00",""
"7057339","5.9377","0.0004","7.7854","0.0005","8.7147","0.0005","110.031","0.003","104.303","0.003","96.242","0.003","358.39","0.04","296","2","296","2","","","","","","","","5","P 1","P 1","1","nickel(II) nitroplatinate octahydrate","","","- H16 N4 Ni O16 Pt -","- H16 N4 Ni O16 Pt -","- H16 N4 Ni O16 Pt -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0148","0.0148","","","0.0346","0.0346","","","","","","1.039","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057340","5.9125","0.0004","7.8201","0.0005","8.7149","0.0006","110.076","0.003","103.908","0.003","96.272","0.003","359.15","0.04","150","2","150","2","","","","","","","","5","P 1","P 1","1","cobalt(II) nitroplatinate octahydrate","hexaaquacobalt(II) tetranitroplatinate(II) dihydrate","","- Co H16 N4 O16 Pt -","- Co H16 N4 O16 Pt -","- Co H16 N4 O16 Pt -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0162","0.0162","","","0.0454","0.0454","","","","","","1.092","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057341","5.9834","0.0002","7.8788","0.0003","8.6406","0.0003","110.211","0.002","105.344","0.002","95.988","0.002","359.9","0.02","296","2","296","2","","","","","","","","5","P 1","P 1","1","nickel(II) nitropalladate octahydrate","hexaaquanickel(II) tetranitropalladate(II) dihydrate","","- H16 N4 Ni O16 Pd -","- H16 N4 Ni O16 Pd -","- H16 N4 Ni O16 Pd -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0229","0.0212","","","0.0497","0.0505","","","","","","1.101","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057342","6.0051","0.0003","7.8865","0.0004","8.6872","0.0005","110.055","0.002","105.1","0.003","96.203","0.003","364.18","0.03","296","2","296","2","","","","","","","","5","P 1","P 1","1","cobalt(II) nitropalladate octahydrate","hexaaquacobalt(II) tetranitropalladate(II) dihydrate","","- Co H16 N4 O16 Pd -","- Co H16 N4 O16 Pd -","- Co H16 N4 O16 Pd -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0248","0.0211","","","0.0481","0.0495","","","","","","1.012","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057583","6.6116","0.0002","12.1182","0.0005","15.0179","0.0007","110.945","0.004","98.955","0.003","92.334","0.003","1103.97","0.08","200","0.1","200","0.1","","","","","","","","4","P 1","P 1","1","","","","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","1","1","","Tănase, Constantin I.; Drăghici, Constantin; Shova, Sergiu; Hanganu, Anamaria; Gal, Emese; Munteanu, Cristian V. A.","A long-range tautomeric effect on a new Schiff isoniazid analogue, evidenced by NMR study and X-ray crystallography","New Journal of Chemistry","2018","42","17","14459","","10.1039/C8NJ01680A","","x-ray","0.71073","MoKα","","0.0533","0.0455","","","0.0931","0.0978","","","","","","1.029","","","","has coordinates","230284","2020-10-21","18:00:00",""
"7057689","13.8448","0.0014","18.4145","0.0018","20.354","0.002","63.131","0.002","85.456","0.002","76.817","0.002","4505.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C152 H128 Br8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.0756","0.0491","","","0.1007","0.1081","","","","","","1.084","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7057690","13.9485","0.0014","18.4741","0.0018","20.255","0.002","63.329","0.002","85.942","0.002","77.442","0.002","4550.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C152 H128 Br8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.1001","0.053","","","0.0963","0.1067","","","","","","1.083","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7058234","10.4002","0.001","13.3883","0.0013","14.297","0.0014","68.135","0.008","70.54","0.008","69.104","0.007","1679.3","0.3","120","2","119.99","","","","","","","","","6","P 1","P 1","1","","","","- C32 H24 F8 I2 N4 O4 -","- C32 H24 F8 I2 N4 O4 -","- C64 H48 F16 I4 N8 O8 -","2","2","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Induction of chirality in 4,4′-azopyridine by halogen-bonding interaction with optically active ditopic donors","New Journal of Chemistry","2019","43","14","5512","","10.1039/C8NJ05750H","","","0.71073","MoKα","","0.0511","0.0464","","","0.1228","0.1365","","","","","","1.068","","","","has coordinates","224875","2020-10-21","18:00:00",""
"7058315","6.6116","0.0002","12.1182","0.0005","15.0179","0.0007","110.945","0.004","98.955","0.003","92.334","0.003","1103.97","0.08","200","0.1","200","0.1","","","","","","","","4","P 1","P 1","1","","","","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","1","1","","Tănase, Constantin I.; Cocu, Florea; Drăghici, Constantin; Hanganu, Anamaria; Pintilie, Lucia; Maganu, Maria; Munteanu, Cristian V. A.; Shova, Sergiu","Secondary compounds in the catalytic hydrogenation of enone and allylic alcohol prostaglandin intermediates: isolation, characterization, and X-ray crystallography","New Journal of Chemistry","2019","43","20","7582","","10.1039/C9NJ01186B","","x-ray","0.71073","MoKα","","0.0533","0.0455","","","0.0931","0.0978","","","","","","1.029","","","","has coordinates","224858","2020-10-21","18:00:00",""
"7058374","8.3185","0.0006","9.3562","0.0007","11.345","0.0008","84.54","0.004","69.51","0.004","68.012","0.004","766.3","0.1","273","2","273.15","","","","","","","","","4","P 1","P 1","1","","","","- C20 H20.5 N0.5 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","2","","Kazem-Rostami, Masoud","Optically active and photoswitchable Tröger's base analogs","New Journal of Chemistry","2019","43","20","7751","","10.1039/C9NJ01372E","","","0.71073","MoKα","","0.0903","0.0643","","","0.1811","0.2121","","","","","","0.933","","","","has coordinates","224862","2020-10-21","18:00:00",""
"7058647","13.2975","0.0004","19.0223","0.0005","20.3933","0.0006","81.741","0.001","72.921","0.001","73.956","0.001","4727.9","0.2","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C57.5 H118.5 Mn6 N6.5 O39 V8 -","- C57.5 H118.5 Mn6 N6.5 O39 V8 -","- C115 H237 Mn12 N13 O78 V16 -","2","2","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.0808","0.0699","","","0.1878","0.2015","","","","","","1.052","","","","has coordinates,has disorder","217230","2020-10-21","18:00:00",""
"7058848","10.2716","0.001","10.6456","0.0009","12.1344","0.0009","81.817","0.007","70.266","0.008","82.082","0.007","1230.48","0.19","100","0.02","100","0.02","","","","","","","","5","P 1","P 1","1","","","","- C28 H23 N5 O3 V -","- C28 H23 N5 O3 V -","- C56 H46 N10 O6 V2 -","2","2","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Mukhopadhyay, Titas Kumar; Acharya, Krishnendu; Ghosh, Sandipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Synthesis, characterization, and cytotoxic and antimicrobial activities of mixed-ligand hydrazone complexes of variable valence VOz+ (z = 2, 3)","New Journal of Chemistry","2019","43","42","16714","","10.1039/C9NJ04171K","","","0.71073","MoKα","","0.0856","0.0621","","","0.1198","0.1349","","","","","","1.006","","","","has coordinates","224782","2020-10-21","18:00:00",""
"7059053","12.6927","0.0004","15.1722","0.0005","17.0426","0.0005","96.081","0.003","90.171","0.003","109.012","0.003","3083.05","0.18","120","0.1","120","0.1","","","","","","","","7","P 1","P 1","1","","","","- C31 H68 As3 F12 N14 O27 S4 -","- C31 H68 As3 F12 N14 O27 S4 -","- C62 H136 As6 F24 N28 O54 S8 -","2","2","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","x-ray","0.71073","MoKα","","0.0628","0.0553","","","0.1351","0.142","","","","","","1.021","","","","has coordinates,has disorder","227935","2020-10-21","18:00:00",""
"7059299","5.2641","0.0006","12.0548","0.0013","16.4307","0.0015","74.96","0.004","83.959","0.004","80.275","0.004","990.4","0.18","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0284","0.0259","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059325","5.6782","0.0002","11.7351","0.0004","12.7603","0.0004","115.226","0.0009","101.818","0.001","93.6185","0.0011","741.94","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Fujita215-2","","","- C31 H33 N O12 -","- C31 H33 N O12 -","- C31 H33 N O12 -","1","1","","Fujita, Hikaru; Zhang, Yunlong; Wu, Zhiyuan; Lindsey, Jonathan S.","Chromogenic agents built around a multifunctional double-triazine framework for enzymatically triggered cross-linking under physiological conditions","New Journal of Chemistry","2020","44","10","3856","3867","10.1039/C9NJ06187H","","","0.71073","MoKα","","0.0328","0.0291","","","0.0691","0.071","","","","","","1.024","","","","has coordinates","257656","2020-10-21","18:00:00",""
"7059410","6.6283","0.0002","7.8369","0.0003","17.606","0.0005","90.888","0.003","94.947","0.003","91.1","0.003","910.84","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H31 Cl N2 O2 -","- C16 H31 Cl N2 O2 -","- C32 H62 Cl2 N4 O4 -","2","2","","Martin, Carmen; Cano, Israel; Scé, Fabio; Pérez-Aguirre, Rubén; Gimbert-Suriñach, Carolina; Lopez-Cornejo, Pilar; de Pedro, Imanol","Synthesis of chiral iron-based ionic liquids: modelling stable hybrid materials","New Journal of Chemistry","2020","44","16","6375","6383","10.1039/D0NJ00349B","","x-ray","1.54184","CuKα","K-L~2,3~","0.0416","0.0409","","","0.1109","0.1119","","","","","","1.04","","","","has coordinates","257782","2020-10-21","18:00:00",""
"7059546","9.5266","0.0014","11.5135","0.0018","11.6248","0.0016","85.994","0.004","70.409","0.004","78.478","0.005","1177","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 N6 O14 Tb2 -","- C33 H18 N6 O14 Tb2 -","- C33 H18 N6 O14 Tb2 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0177","0.0172","","","0.0537","0.054","","","","","","0.708","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059548","9.6157","0.0003","11.5773","0.0003","11.719","0.0003","85.891","0.001","69.801","0.001","78.732","0.001","1200.76","0.06","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 N6 O14 Sm2 -","- C33 H18 N6 O14 Sm2 -","- C33 H18 N6 O14 Sm2 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0214","0.0204","","","0.0622","0.0636","","","","","","0.596","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059549","9.6328","0.0004","11.5511","0.0004","11.6966","0.0004","86.012","0.001","69.948","0.001","78.615","0.001","1198.52","0.08","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 Eu2 N6 O14 -","- C33 H18 Eu2 N6 O14 -","- C33 H18 Eu2 N6 O14 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0218","0.0208","","","0.0648","0.0657","","","","","","0.731","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059782","10.2256","0.0006","10.6901","0.0007","20.4388","0.0014","97.5","0.005","91.855","0.005","90.003","0.005","2213.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","Ethyl (E)-3-[4'-(diphenylamino)-[1,1'-biphenyl]-4-yl]acrylate","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","4","","Paolino, Marco; Reale, Annalisa; Razzano, Vincenzo; Giorgi, Gianluca; Giuliani, Germano; Villafiorita-Monteleone, Francesca; Botta, Chiara; Coppola, Carmen; Sinicropi, Adalgisa; Cappelli, Andrea","Design, synthesis, structure, and photophysical features of highly emissive cinnamic derivatives","New Journal of Chemistry","2020","44","32","13644","13653","10.1039/D0NJ02429E","","x-ray","0.71073","MoKα","","0.0895","0.0771","","","0.1961","0.205","","","","","","1.025","","","","has coordinates","257681","2020-10-21","18:00:00",""
"7059828","13.1733","0.0013","13.5456","0.0012","19.6259","0.0017","73.045","0.002","86.981","0.003","62.585","0.003","2959.9","0.5","180","","180","","","","","","","","","5","P 1","P 1","1","","","","- C63 H82 Cl2 O4 S2 -","- C63 H82.0015 Cl2 O4 S2 -","- C126 H164.003 Cl4 O8 S4 -","2","2","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","0.71073","MoKα","","0.063","0.0439","","0.1068","0.0956","0.1057","","","","","","1.0035","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059913","9.8525","0.0002","9.8769","0.0002","17.3039","0.0004","85.666","0.002","86.551","0.002","76.335","0.002","1629.98","0.06","295","1","295","1","","","","","","","","6","P 1","P 1","1","","","","- C60 H100 I2 N6 O3 S -","- C60 H100 I2 N6 O3 S -","- C60 H100 I2 N6 O3 S -","1","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.0256","0.0254","","","0.068","0.0691","","","","","","1.064","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059981","9.771","0.003","12.915","0.005","15.031","0.005","113.919","0.003","91.759","0.004","107.231","0.004","1631.2","1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C27 H11 Ag3 F18 N8 -","- C27 H11 Ag3 F18 N8 -","- C54 H22 Ag6 F36 N16 -","2","2","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0318","0.0315","","","0.0829","0.0833","","","","","","1.043","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7060201","9.6262","0.001","12.6518","0.0013","13.3053","0.0014","87.69","0.004","81.189","0.004","80.098","0.004","1577.3","0.3","300","2","300","2","","","","","","","","3","P 1","P 1","1","NMePhPh","4,5-bisphenylethynyl-1methylimidazole","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","4","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.0717","0.0591","","","0.1521","0.175","","","","","","0.79","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060568","8.2304","0.0006","14.4079","0.001","14.8621","0.0013","99.827","0.007","98.481","0.007","102.601","0.006","1663.1","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H60 Cu6 N18 O27 -","- C51 H60 Cu6 N18 O27 -","- C51 H60 Cu6 N18 O27 -","1","1","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1771","0.0841","","","0.1484","0.184","","","","","","0.991","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060604","3.7934","0.0004","7.4317","0.0007","8.7328","0.0008","105.198","0.005","100.874","0.005","92.381","0.005","232.24","0.04","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C4 H10 N10 O2 -","- C4 H10 N10 O2 -","- C4 H10 N10 O2 -","1","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0575","0.0468","","","0.0993","0.1044","","","","","","1.153","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060659","10.0155","0.0002","10.9223","0.0002","20.2357","0.0003","100.436","0.001","104.283","0.001","99.455","0.002","2058.38","0.07","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C41 H59 Au N2 O10 S -","- C41 H59 Au N2 O10 S -","- C82 H118 Au2 N4 O20 S2 -","2","2","","Safir Filho, Mauro; Scattolin, Thomas; Dao, Pascal; Tzouras, Nikolaos V.; Benhida, Rachid; Saab, Marina; Van Hecke, Kristof; Lippmann, Petra; Martin, Anthony R.; Ott, Ingo; Nolan, Steven P.","Straightforward synthetic route to gold(i)-thiolato glycoconjugate complexes bearing NHC ligands (NHC = N-heterocyclic carbene) and their promising anticancer activity","New Journal of Chemistry","2021","45","22","9995","10001","10.1039/D1NJ02117F","","x-ray","0.71073","MoKα","","0.0338","0.0295","","","0.0592","0.0615","","","","","","1.022","","","","has coordinates,has disorder","267213","2021-07-05","18:04:23",""
"7060665","12.6698","0.0006","13.6736","0.0006","20.1046","0.0009","104.063","0.002","100.134","0.002","90.206","0.002","3321.9","0.3","100","","100","","","","","","","","","8","P 1","P 1","1","","POCOP-Ni-phen","","- C30 H39 F6 N2 Ni O2 P2 Sb -","- C30 H39 F6 N2 Ni O2 P2 Sb -","- C120 H156 F24 N8 Ni4 O8 P8 Sb4 -","4","4","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0323","0.0321","","","0.0893","0.0896","","","","","","1.043","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060767","6.9661","0.0017","7.0272","0.0017","11.414","0.003","105.946","0.004","91.131","0.004","95.61","0.004","534","0.2","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C8 H23 B20 N O2 S -","- C8 H23 B20 N O2 S -","- C8 H23 B20 N O2 S -","1","1","","Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.","Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions","New Journal of Chemistry","2021","45","27","12159","12167","10.1039/D1NJ02499J","","","0.71073","MoKα","","0.0576","0.047","","","0.1136","0.12","","","","","","1.0748","","","","has coordinates,has disorder","268857","2021-09-06","12:01:09",""
"7060856","7.6274","0.0004","9.1304","0.0005","10.6185","0.0007","92.663","0.007","99.327","0.007","90.796","0.006","728.75","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H15 N O7 S -","- C12 H15 N O7 S -","- C24 H30 N2 O14 S2 -","2","2","","Sosa-Gil, Concepción; Babiano, Reyes; Cintas, Pedro; Light, Mark E.; Palacios, Juan C.","On the anomeric preference of the isothiocyanato group","New Journal of Chemistry","2021","45","31","14111","14125","10.1039/D1NJ00852H","","x-ray","0.71075","MoKα","K-L~3~","0.0368","0.0349","","","0.0886","0.0905","","","","","","1.046","","","","has coordinates","268897","2021-09-06","12:14:44",""
"7060861","10.223","0.008","11.333","0.012","21.64","0.02","90","","90","","90","","2507","4","","","119.98","","","","","","","","","4","P 1","P 1","1","","","","- C2.24 H2.92 N0.32 O0.16 -","- C2.24 H2.92 N0.32 O0.16 -","- C112 H146 N16 O8 -","50","50","","Yadav, Priyanka; Awasthi, Satish K.","Probing the catalytic activity of highly efficient sulfonic acid fabricated cobalt ferrite magnetic nanoparticles for the clean and scalable synthesis of dihydro, spiro and bis quinazolinones","New Journal of Chemistry","2021","45","35","15928","15941","10.1039/D1NJ01149A","","","0.71073","MoKα","","0.2422","0.1484","","","0.3604","0.4592","","","","","","1.3427","","","","has coordinates","269750","2021-10-06","16:02:35",""
"7060902","6.424","0.005","12.641","0.005","12.76","0.005","97.737","0.005","103.106","0.005","94.789","0.005","993","1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H34 N4 O6 -","- C48 H34 N4 O6 -","- C48 H34 N4 O6 -","1","1","","Bao, Changjiang; Li, Yanwei; Li, Yanhui; Si, Zhenjun; Zhang, Yanru; Chen, Changshun; Wang, Lei; Duan, Qian","A series of asymmetric and symmetric porphyrin derivatives: one-pot synthesis, nonlinear optical and optical limiting properties","New Journal of Chemistry","2021","45","35","16030","16038","10.1039/D1NJ02632A","","","0.71073","MoKα","","0.1334","0.0735","","","0.183","0.2207","","","","","","1.027","","","","has coordinates","269761","2021-10-06","16:04:23",""
"7060959","9.66","0.0019","11.24","0.002","12.28","0.002","100.32","0.03","90.33","0.03","113.41","0.03","1199.4","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H39 Bi I9 N3 -","- C39 H39 Bi I9 N3 -","- C39 H39 Bi I9 N3 -","1","1","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.79312","synchrotron","","0.0319","0.0316","","","0.0816","0.0819","","","","","","1.062","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7061341","11.0057","0.0003","11.4891","0.0004","12.6324","0.0004","81.107","0.003","79.836","0.003","73.162","0.003","1495.73","0.09","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C29 H39 Cu N5 O7 -","- C29 H39 Cu N5 O7 -","- C58 H78 Cu2 N10 O14 -","2","2","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0551","0.044","","","0.099","0.1079","","","","","","1.033","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061429","10.1099","0.0002","12.671","0.0003","22.5816","0.0005","77.049","0.001","79.95","0.001","89.73","0.001","2774.13","0.11","150","","150","","","","","","","","","5","P 1","P 1","1","TDCH","(8S,9R,10R,13R,14R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (4-((Z)-1-cyano-2-(7-(4-(diphenylamino)phenyl)benzo[c][1,2,5]thiadiazol-4-yl)vinyl)phenyl)carbamate","","- C65 H75 N5 O3 S -","- C65 H75 N5 O3 S -","- C130 H150 N10 O6 S2 -","2","2","","Lv, Long; Ye, Lijie; Cao, Feng; Yang, Shengchen; Song, Qingbao; Zou, Bo; Wang, Kai; Lv, Chunyan; Zhang, Cheng; Zhang, Yujian","Red to near-infrared piezochromism from AIE-active luminophores: isolated dimers facilitating a wide-range redshift","New Journal of Chemistry","2022","46","16","7741","7747","10.1039/D2NJ00901C","","","1.54178","CuKα","","0.0494","0.0458","","","0.1186","0.1228","","","","","","1.027","","","","has coordinates,has disorder","275017","2022-05-05","20:43:56",""
"7061491","10.606","0.003","14.275","0.004","15.503","0.005","65.747","0.007","88.159","0.007","71.091","0.007","2010.6","1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H16 Cl N O4 -","- C23 H16 Cl N O4 -","- C92 H64 Cl4 N4 O16 -","4","4","","Li, Junhua; Yang, Yan; Wang, Zichu; Shi, Yian","Studies on Pd-catalyzed asymmetric hydroesterification of enimides. A possible approach to optically active β-amino acid derivatives","New Journal of Chemistry","2022","46","20","9507","9510","10.1039/D2NJ01027E","","","0.71073","MoKα","","0.1436","0.0722","","","0.1841","0.2434","","","","","","1.008","","","","has coordinates,has disorder","275798","2022-06-06","01:53:52",""
"7061595","8.9","0.002","8.958","0.002","10.397","0.002","92.153","0.013","96.035","0.013","94.714","0.012","820.6","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","Ibu-Pro-Val-OMe","","","- C30 H52 N4 O8 -","- C30 H52 N4 O8 -","- C30 H52 N4 O8 -","1","1","","Gupta, Sunil K.; Banerjee, Shreya; Prabhakaran, Erode N.","van der Waals interactions to control amide cis–trans isomerism","New Journal of Chemistry","2022","46","26","12470","12473","10.1039/D2NJ01457B","","","0.71073","MoKα","","0.0493","0.0431","","","0.116","0.1218","","","","","","0.845","","","","has coordinates","276632","2022-07-06","08:16:22",""
"7061626","6.7331","0.0003","8.6522","0.0003","8.8761","0.0003","77.838","0.003","88.7","0.003","81.931","0.003","500.46","0.03","293","2","298","","","","","","","","","5","P 1","P 1","1","","","","- C7 H15 Cl N2 O4 -","- C7 H15 Cl N2 O4 -","- C14 H30 Cl2 N4 O8 -","2","2","","You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong","Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties","New Journal of Chemistry","2022","46","30","14404","14409","10.1039/D2NJ02531K","","","0.71073","MoKα","","0.0716","0.0628","","","0.166","0.1762","","","","","","1.274","","","","has coordinates","277133","2022-08-06","11:58:13",""
"7061707","13.0849","0.0007","13.4898","0.0009","14.2694","0.0006","105.671","0.005","102.257","0.004","111.727","0.006","2111","0.3","160","0.1","160","0.1","","","","","","","","8","P 1","P 1","1","","","","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","1","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.0988","0.0789","","","0.2163","0.2329","","","","","","1.041","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061710","13.0486","0.0007","13.4558","0.0009","14.2222","0.0009","105.615","0.006","102.221","0.005","111.652","0.006","2096","0.3","100","0.1","100","0.1","","","","","","","","8","P 1","P 1","1","","","","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","1","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.0916","0.076","","","0.1975","0.21","","","","","","1.049","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061711","13.1318","0.0009","13.4997","0.0013","14.3197","0.001","105.613","0.007","102.473","0.006","111.889","0.008","2121.7","0.4","240","0.1","240","0.1","","","","","","","","8","P 1","P 1","1","","","","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","1","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.1117","0.0797","","","0.2103","0.241","","","","","","1.038","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7062181","7.4735","0.0008","8.6042","0.0011","10.7737","0.0011","80.277","0.002","83.715","0.002","75.29","0.002","658.84","0.13","296","2","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H32 Cu2 F2 I4 N4 -","- C16 H32 Cu2 F2 I4 N4 -","- C16 H32 Cu2 F2 I4 N4 -","1","1","","Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming","Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light","New Journal of Chemistry","2023","47","5","2556","2564","10.1039/D2NJ04044A","","","0.71073","MoKα","","0.0294","0.0276","","","0.0704","0.072","","","","","","1.221","","","","has coordinates","281509","2023-03-04","18:30:56",""
"7062356","5.181","0.0001","9.6048","0.0002","11.9887","0.0003","67.824","0.002","85.664","0.002","78.436","0.002","541.24","0.02","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C31 H20 N2 -","1","1","","Younes, Eyad A.; Aljaar, Nayyef; Abdollahi, Maryam F.; Shtaiwi, Majed; Issa, Maram J.; Zhao, Yuming","N-Cyanomethylmethanimine tethered anthracene dimer: concise synthesis, conformational properties and photoinduced configurational isomerization","New Journal of Chemistry","2023","47","14","6708","6720","10.1039/D2NJ06320D","","x-ray","1.54184","CuKα","","0.0437","0.0344","","","0.0952","0.1086","","","","","","1.145","","","","has coordinates","283405","2023-05-05","03:02:28",""
"7062458","13.1593","0.001","18.8395","0.0015","30.99","0.002","103.866","0.003","97.437","0.003","96.554","0.003","7311.7","0.9","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H25 Eu F18 N2 O8 P2 -","- C43 H25 Eu F18 N2 O8 P2 -","- C258 H150 Eu6 F108 N12 O48 P12 -","6","6","","Bryleva, Yuliya A.; Komarov, Vladislav Yu.; Glinskaya, Ludmila A.; Artem'ev, Alexander V.; Davydova, Maria P.; Rakhmanova, Mariana I.; Samsonenko, Denis G.","Highly photo- and triboluminescent lanthanide(iii) coordination polymers based on diphosphine dioxides containing azaheterocyclic linkers","New Journal of Chemistry","2023","47","21","10446","10454","10.1039/D3NJ01119D","","","0.71073","MoKα","","0.0667","0.0494","","","0.1161","0.1256","","","","","","1.047","","","","has coordinates,has disorder","284951","2023-07-05","10:41:45",""
"7062478","14.2355","0.0007","20.1323","0.0006","23.7245","0.0006","82.264","0.002","78.91","0.003","89.961","0.003","6609.4","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C336 H240 S24 -","- C336 H240 S24 -","- C336 H240 S24 -","1","1","","Li, Tianwei; Gan, Luqing; Li, Lin; Zhen, Shijie","Tuning multichannel conductance via through-space conjugated naphthalene","New Journal of Chemistry","2023","47","21","9998","10002","10.1039/D3NJ01074K","","","1.54178","CuKα","","0.2595","0.1945","","","0.5174","0.5525","","","","","","1.747","","","","has coordinates","284308","2023-06-05","04:48:28",""
"7062788","5.8887","0.0008","8.3187","0.0012","9.4843","0.0013","108.948","0.003","94.92","0.004","93.497","0.004","435.86","0.11","423.15","","423.15","","","","","","","","","4","P 1","P 1","1","","DK-CP-504","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C21 H25 N O3 -","1","1","","Shukla, Jyoti; Gangwar, Manoj Kumar; Koley, Dipankar","Total synthesis of (−)-δ-lycorane","New Journal of Chemistry","2023","47","41","18900","18904","10.1039/D3NJ03567K","","x-ray","0.71073","MoKα","","0.0481","0.0419","","","0.0981","0.1049","","","","","","1.057","","","","has coordinates","287368","2023-11-06","07:57:47",""
"7062826","7.0181","0.0004","7.1477","0.0004","7.1912","0.0004","73.654","0.001","72.829","0.001","83.609","0.001","330.57","0.03","153","2","153","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C15 H20 O4 -","1","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","1.54178","CuKα","","0.032","0.0316","","","0.0874","0.0881","","","","","","1.082","","","","has coordinates","288864","2024-01-06","09:08:19",""
"7062828","9.9599","0.0005","23.1869","0.0011","23.1916","0.0016","117.896","0.003","98.197","0.003","98.285","0.002","4547.1","0.5","153","2","153","2","","","","","","","","3","P 1","P 1","1","","","","- C180 H323 O30 -","- C180 H323 O30 -","- C180 H323 O30 -","1","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","1.54178","CuKα","","0.0964","0.0583","","","0.1432","0.1682","","","","","","1.031","","","","has coordinates","288864","2024-01-06","09:08:37",""
"7062997","7.2957","0.0002","7.4157","0.0002","15.3505","0.0002","98.052","0.002","101.391","0.002","90.231","0.002","805.69","0.03","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H14 I N3 O -","- C18 H14 I N3 O -","- C36 H28 I2 N6 O2 -","2","2","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.0437","0.0418","","","0.1095","0.1111","","","","","","1.092","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7063077","5.9532","0.0001","10.2293","0.0002","22.7669","0.0004","90.064","0.001","93.193","0.001","92.558","0.001","1382.9","0.04","213","","213","","","","","","","","","3","P 1","P 1","1","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C63 H66 O12 -","3","3","","Chen, Jiawei; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Enantioselective insertion of vinyl diazoacetates into O–H bonds of carboxylic acids","New Journal of Chemistry","2024","48","12","5092","5096","10.1039/D4NJ00289J","","","1.34139","GaKα","","0.0339","0.0322","","","0.0817","0.0831","","","","","","1.029","","","","has coordinates","291031","2024-04-05","00:06:26",""
"7100015","7.878","0.0016","10.483","0.002","18.484","0.004","84.67","0.03","80.14","0.03","89.66","0.03","1497.4","0.5","296","1","296","1","","","","","","","","3","P 1","P 1","1","","","","- C58 H96 O24 -","- C58 H96 O24 -","- C58 H96 O24 -","1","1","","Li, Rong-Tao; Han, Quan-Bin; Zheng, Yong-Tang; Wang, Rui-Rui; Yang, Liu-Meng; Lu, Yang; Sang, Su-Qin; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Structure and anti-HIV activity of micrandilactones B and C, new nortriterpenoids possessing a unique skeleton from Schisandra micrantha","Chemical Communications (Cambridge, United Kingdom)","2005","","23","2936","2938","10.1039/b501932j","","","","","","","","","","","","","","","","","","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7100040","9.3318","0.0019","11.08","0.002","18.816","0.004","105.54","0.03","97.78","0.03","94.74","0.03","1842.6","0.6","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H104 Ag4 Cl4 N8 O4 -","- C60 H104 Ag4 Cl4 N8 O4 -","- C60 H104 Ag4 Cl4 N8 O4 -","1","1","","Elena Fernandez; Rosa Corberan; Eduardo Peris; Jesus Ramirez; Mercedes Sanau","Unprecedented use of silver(I) N-heterocyclic carbene complexes for the catalytic preparation of 1,2-bis(boronate)esters","Chemical Communications","2005","","","","","10.1039/b503239c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100233","13.8173","0.0011","14.292","0.0011","26.318","0.002","92.816","0.002","96.781","0.002","118.451","0.001","4504.3","0.6","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H106 K8 Na10 O180 P4 W32 Zr4 -","- C8 H6 K5 Na7 O169.5 P4 W32 Zr4 -","- C8 H6 K5 Na7 O169.5 P4 W32 Zr4 -","1","1","","X.Fang; T.M.Anderson; Y.Hou; C.L.Hill","Stereoisomerism in polyoxometalates: structural and spectroscopic studies of bis(malate)-functionalized cluster systems","Chemical Communications","2005","","","","","10.1039/b508468g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100234","13.8263","0.0009","14.3085","0.001","26.3344","0.0018","92.871","0.001","96.639","0.001","118.518","0.001","4513.8","0.5","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H114 K8 Na10 O184 P4 W32 Zr4 -","- C8 H6 K7 Na6 O182.5 P4 W32 Zr4 -","- C8 H6 K7 Na6 O182.5 P4 W32 Zr4 -","1","1","","X.Fang; T.M.Anderson; Y.Hou; C.L.Hill","Stereoisomerism in polyoxometalates: structural and spectroscopic studies of bis(malate)-functionalized cluster systems","Chemical Communications","2005","","","","","10.1039/b508468g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100379","10.675","0.003","13.281","0.003","19.726","0.005","101.281","0.004","97.104","0.004","102.741","0.004","2634.1","1.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C84 H144 K8 N16 O93 -","- C84 H144 K8 N16 O9 -","- C84 H144 K8 N16 O9 -","1","1","","Polly Arnold; Mark Rodden; Claire Wilson","Thermally stable potassium N-heterocyclic carbene complexes with alkoxide ligands, and a polymeric crystal structure with distorted, bridging carbenes","Chemical Communications","2005","","","","","10.1039/b418302a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100432","4.709","0.0007","8.2955","0.0012","9.1628","0.0013","92.006","0.002","94.865","0.002","104.989","0.003","343.9","0.09","273","2","273","2","","","","","","","","3","P 1","P 1","1","cis-2,8-dihydroxypterocarpan","(6aS*,11aS*)-6a,11a-dihydro-2,8-dimethoxy-6H-benzofuro[3,2-c]chromene","","- C17 H16 O4 -","- C17 H16 O4 -","- C17 H16 O4 -","1","1","","Jonathan L. Sessler; Thomas Kohler; Vincent Lynch; David Sanchez-Garcia; Daniel Seidel","Straightforward synthesis of sulfur bridged oligopyrrolic macrocycles","Chemical Communications","2005","","","","","10.1039/b500919g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100512","5.9565","0.0004","7.3716","0.0005","13.1769","0.0009","102.925","0.001","101.637","0.001","90.785","0.001","551.28","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H22 Er2 O23 -","- C12 H22 Er2 O23 -","- C12 H22 Er2 O23 -","1","1","","Ian Williams; John A. Cha; Stephen S.-Y. Chui; Andy L.-F. Leung; Herman H. Y. Sung; Samadara Thushari; Yu-Fong Yen.","Microporous chiral metal coordination polymers: hydrothermal synthesis, channel engineering and thermal stability of lanthanide tartrates","Chemical Communications","2005","","","","","10.1039/b508574h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100611","8.0925","0.0005","12.2513","0.0011","14.9817","0.0011","91.958","0.004","98.528","0.003","96.609","0.004","1457.17","0.19","153.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","1","1","","Ajay K. Sah; Tomoaki Tanase","Crystal-to crystal transformation from tri to mononuclear Cu(II) complex with a sugar-derived ligand via proton transfer reaction and rearrangement of hydrogen bonding networks","Chemical Communications","2005","","","","","10.1039/b513788h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100612","6.612","0.004","12.23","0.006","14.089","0.007","77.465","0.01","82.337","0.014","88.386","0.016","1102.3","1","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C21 H32 Cu N2 O6 -","- C21 H32 Cu N2 O6 -","- C42 H64 Cu2 N4 O12 -","2","2","","","","Chemical Communications","2005","","","","","10.1039/b513788h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100618","7.6005","0.0003","9.0722","0.0004","10.5034","0.0005","86.798","0.003","79.255","0.003","79.767","0.003","700.03","0.05","160","1","160","1","","","","","","","","4","P 1","P 1","1","","","","- C21 H40 N8 O11 -","- C21 H40 N8 O11 -","- C21 H40 N8 O11 -","1","1","","Ghasparian, Arin; Möhle, Kerstin; Linden, Anthony; Robinson, John, A.","Crystal Structure of an NPNA-Repeat Motif from the Circumsporozoite Protein of the Malaria Parasite Plasmodium falciparum","Chemical Communications","2006","","","","","10.1039/b510812h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100664","5.9382","0.0004","6.7703","0.0007","15.524","0.002","97.127","0.004","92.392","0.006","99.132","0.006","610.22","0.1","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C20 H39 N5 O7 -","- C20 H39 N5 O7 -","- C20 H39 N5 O7 -","1","1","","Per Arvidsson; Palangpon Kongsaeree; Samran Prabpai; Suode Zhang","poly-N-Methylated ?-Peptides: Synthesis and X-Ray Structure Determination of ?-Strand Forming Foldamers","Chemical Communications","2006","","","","","10.1039/b513277k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100665","5.9757","0.0003","9.996","0.0008","13.5831","0.001","98.898","0.003","93.638","0.004","102.759","0.004","777.78","0.09","298","","","","","","","","","","","4","P 1","P 1","1","","","","- C24 H50 N6 O10 -","- C24 H50 N6 O10 -","- C24 H50 N6 O10 -","1","1","","","","Chemical Communications","2006","","","","","10.1039/b513277k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100735","9.187","0.014","11.389","0.018","12.8","0.02","105.3","0.13","93.62","0.1","105.23","0.08","1234","3","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C52 H64 N4 O6 -","2","2","","G. Dyker; D. Hildebrandt; D. Kadzimirsz; K. Merz","","Chemical Communications","2006","","","","","10.1039/b516017k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100899","13.18","0.0009","13.7606","0.001","20.2871","0.0014","83.267","0.001","77.17","0.001","66.1","0.001","3278.4","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","Chiral Ni Salen Tripd","","","- C72 H90 N4 Ni O6 -","- C35.5 H42 N1.75 Ni0.5 O3 -","- C142 H168 N7 Ni2 O12 -","4","4","","Michael Scott; Eric R. Libra","Metal salen complexes incorporating triphenoxymethanes: Efficient, size selective anion binding by phenolic donors with a visual report","Chemical Communications","2006","","","","","10.1039/b517944k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100940","8.87","0.0004","12.009","0.0009","12.744","0.0009","116.294","0.003","88.966","0.005","101.443","0.005","1189.07","0.13","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H42 Cl6 N8 S8 -","- C34 H42 Cl6 N8 S8 -","- C34 H42 Cl6 N8 S8 -","1","1","","Tohru Fukuyama; Mui Cheung; Fu She Han; Hiroyuki Osajima; Hidetoshi Tokuyama","Facile Synthesis of Chiral Cyclic Oligothiazolines: A Novel Structural Motif of Macrocyclic Molecule","Chemical Communications","2006","","","","","10.1039/b601628f","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100969","8.804","0.009","10.3","0.02","11.281","0.01","99.78","0.04","98.06","0.04","99.6","0.04","978.5","2.2","213.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C42 H46 O8 S -","- C42.6 H47.8 O8.6 S -","- C42.6 H47.8 O8.6 S -","1","1","","Masakatsu Matsumoto; Koji Hamaoka; Yuji Takashima; Mizuki Yokokawa; Kazutaka Yamada; Nobuko Watanabe; Hisako K. Ijuin","Chemiluminescence in Molecular Recognition: Base-induced Decomposition of Optically Active Dioxetanes Bearing a Bisnaphthol Moiety with a Complex of Optically Active Crown Ether / Potassium t-Butoxide","Chemical Communications","2005","","","","","10.1039/b414001j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100970","8.992","0.006","10.317","0.007","11.138","0.007","101.179","0.012","96.22","0.01","100.522","0.012","985.5","1.1","233.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C42 H46 O8 S -","- C43 H49 O9 S -","- C43 H49 O9 S -","1","1","","","","Chemical Communications","2005","","","","","10.1039/b414001j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101127","7.2693","0.0006","7.7618","0.0007","8.7263","0.0007","80.624","0.002","72.296","0.002","85.313","0.002","462.51","0.07","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H19 I N2 O4 S2 -","- C15 H19 I N2 O4 S2 -","- C15 H19 I N2 O4 S2 -","1","1","","Scott Miller; Jarred T. Blank; Jason E. Imbriglio; Steven M. Mennen; Michelle B. Tran","A Peptide-Catalyzed Asymmetric Stetter Reaction","Chemical Communications","2005","","2","","","10.1039/b414574g","","","0.71073","MoKα","","0.019","0.019","","","0.0477","0.0477","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101162","8.1487","0.0001","12.2359","0.0001","16.9972","0.0003","72.113","0.008","78.973","0.009","65.529","0.006","1463.92","0.03","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C56 H88 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","1","1","","Tomoaki Tanase; Merii Kato; Ajay Sah","Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines","Chemical Communications","2005","","5","","","10.1039/b413923b","","","0.7107","MoKα","","","0.047","","","","0.056","","","","","","0.788","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101216","15.1376","0.0018","15.2092","0.0018","26.3","0.003","73.271","0.002","77.508","0.002","82.596","0.002","5647.2","1.2","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C96 H144 Cl Mn N14 O28 Zn2 -","- C66 H58 Cl Mn N4 O10 Zn2 -","- C132 H116 Cl2 Mn2 N8 O20 Zn4 -","2","2","","Joseph Hupp; So-Hye Cho.; Baoqing Ma.; Sonbinh Nguyen.","A metal-organic framework material that functions as an enantioselective catalyst for olefin epoxidation","Chemical Communications","2006","","24","","","10.1039/b600408c","","","0.71073","MoKα","","0.1259","0.0635","","","0.1391","0.1536","","","","","","0.798","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101232","14.5623","0.0003","16.5684","0.0003","17.4742","0.0003","99.074","0.001","97.339","0.001","116.02","0.001","3648.03","0.12","120","1","293","2","","","","","","","","6","P 1","P 1","1","","","","- C111 H181 Cl14 O54 Pd2 S4 -","- C107 H170 Cl14 O54 Pd2 S4 -","- C107 H170 Cl14 O54 Pd2 S4 -","1","1","","D.Matt; D.Armspach; F.Balegroune; B.Bemmerad; P.Clair; L.Toupec","Sulfur-capped cyclodextrins: a new class of cavitands with extroverted as well as introverted donor functionalities","Chemical Communications","2006","","25","","","10.1039/b603400d","","","0.71069","MoKα","","0.0812","0.0686","","","0.1862","0.2024","","","","","","1.021","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101312","9.4085","0.0004","9.7578","0.0004","10.5611","0.0004","102.489","0.002","102.94","0.002","91.186","0.002","920.16","0.06","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H64 Al N4 Na -","- C32 H64 Al N4 Na -","- C32 H64 Al N4 Na -","1","1","","R. E. Mulvey; Joaquin Garcia-Alvarez; D. Graham; Alan Kennedy; Susan Weatherstone","New reactivity and structural insights of alkali-metal-mediated alumination in directed ortho-alumination of a tertiary aromatic amide","Chemical Communications","2006","","30","","","10.1039/b606080c","","","0.71073","MoKα","","0.0821","0.0537","","","0.1024","0.1163","","","","","","1.044","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101373","6.067","0.0012","7.533","0.0015","20.663","0.004","89.87","0.03","96.6","0.03","90.02","0.03","938.1","0.3","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H48 N6 -","- C44 H48 N6 -","- C44 H48 N6 -","1","1","","O-Pil Kwon; Volker Gramlich; Peter Gunter; Mojca Jazbinsek; Seong-Ji Kwon.","Nonlinear optical co-crystal of analogous polyene chromophores with tailored physical properties","Chemical Communications","2006","","35","","","10.1039/b607107d","","","1.54178","CuKα","","0.1659","0.0968","","","0.224","0.2867","","","","","","1.176","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101477","9.6224","0.0005","14.022","0.0008","16.2566","0.0009","101.369","0.005","105.131","0.005","90.22","0.004","2072.3","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H112 F3 N12 O18.5 -","- C59 H112 F3 N12 O18.5 -","- C59 H112 F3 N12 O18.5 -","1","1","","Arindam Banerjee; Apurba Kumar Das; Michael G.B Drew; Sudpita Ray","A short water-soluble self-assembling peptide forms amyloid-like fibrils","Chemical Communications","2006","","40","","","10.1039/b607657b","","","0.71073","MoKα","","0.1376","0.1266","","","0.3202","0.3327","","","","","","1.466","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101766","15.4229","0.0008","15.6844","0.0008","16.8056","0.0009","88.247","0.003","65.51","0.003","73.213","0.003","3523.3","0.3","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C114 H154 Cu10 Gd2 N26 O53 -","- C114 H116 Cu10 Gd2 N26 O53 -","- C114 H116 Cu10 Gd2 N26 O53 -","1","1","","Mezei, Gellert; Kampf, Jeff W; Pan, Shilie; Poeppelmeier, Kenneth R; Watkins, Byron; Pecoraro, Vincent L","Metallacrown-based compartments: selective encapsulation of three isonicotinate anions in non-centrosymmetric solids.","Chemical communications (Cambridge, England)","2007","","11","1148","1150","10.1039/b614024f","","","0.71073","MoKα","","0.0251","0.0224","","","0.0589","0.0602","","","","","","1.081","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101767","15.39","0.004","15.678","0.004","16.812","0.005","88.347","0.004","65.423","0.004","73.167","0.004","3511.3","1.6","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C114 H154 Cu10 Dy2 N26 O53 -","- C114 H116 Cu10 Dy2 N26 O53 -","- C114 H116 Cu10 Dy2 N26 O53 -","1","1","","Mezei, Gellert; Kampf, Jeff W; Pan, Shilie; Poeppelmeier, Kenneth R; Watkins, Byron; Pecoraro, Vincent L","Metallacrown-based compartments: selective encapsulation of three isonicotinate anions in non-centrosymmetric solids.","Chemical communications (Cambridge, England)","2007","","11","1148","1150","10.1039/b614024f","","","0.71073","MoKα","","0.0369","0.0293","","","0.0662","0.0695","","","","","","1.006","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101800","5.7585","0.0011","12.377","0.002","17.297","0.003","97.499","0.019","97.56","0.02","103.09","0.02","1173.8","0.4","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 Cl O6 -","- C27 H25 Cl O6 -","- C54 H50 Cl2 O12 -","2","2","","Wang, Yajun; Shen, Zongxuan; Li, Bin; Zhang, Yong; Zhang, Yawen","Dynamic kinetic resolution of 2-oxo-3-aryl-succinates by organocatalyzed aldolization.","Chemical communications (Cambridge, England)","2007","","12","1284","1286","10.1039/b616382c","","","0.7107","MoKα","","0.0939","0.0685","","","0.1378","0.1555","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101864","5.4654","0.0002","10.5477","0.0003","11.0731","0.0003","73.134","0.001","89.326","0.001","78.226","0.002","597.26","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C26 H26 Br N3 O3 -","- C26 H26 Br N3 O3 -","- C26 H26 Br N3 O3 -","1","1","","Niess, Barbara; Jørgensen, Karl Anker","The asymmetric vinylogous Mannich reaction of dicyanoalkylidenes with alpha-amido sulfones under phase-transfer conditions.","Chemical communications (Cambridge, England)","2007","","16","1620","1622","10.1039/b702172k","","x-ray","0.71073","MoKα","","0.0371","0.0299","","","0.0662","0.0682","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102057","9.5089","0.0006","13.8437","0.0009","20.3971","0.0014","86.879","0.003","84.876","0.004","81.32","0.004","2641.4","0.3","153","2","153","2","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C117 H92 Co2 N12 O13 -","- C117 H90 Co2 N12 O13 -","- C117 H90 Co2 N12 O13 -","1","1","","Telfer, Shane G; Wuest, James D","Metallotectons: using enantiopure tris(dipyrrinato)cobalt(III) complexes to build chiral molecular materials.","Chemical communications (Cambridge, England)","2007","","30","3166","3168","10.1039/b705212j","","","1.54178","CuKα","","0.0587","0.0476","","","0.1155","0.1212","","","","","","0.968","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102058","9.6927","0.0004","14.9297","0.0007","22.8858","0.001","91.044","0.002","101.393","0.002","101.736","0.002","3172.8","0.2","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1","P 1","1","","","","- C115 H112 Co2 N42 O7 S3.5 -","- C115 H105 Co2 N42 O7 S3.5 -","- C115 H105 Co2 N42 O7 S3.5 -","1","1","","Telfer, Shane G; Wuest, James D","Metallotectons: using enantiopure tris(dipyrrinato)cobalt(III) complexes to build chiral molecular materials.","Chemical communications (Cambridge, England)","2007","","30","3166","3168","10.1039/b705212j","","","1.54178","CuKα","","0.1111","0.0739","","","0.1941","0.2207","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102281","11.118","0.0003","11.1525","0.0003","12.2892","0.0003","69.872","0.001","70.133","0.001","76.892","0.001","1335.12","0.06","100","2","100","2","","","","","","","","2","P 1","P 1","1","","","","- C74 F42 -","- C74 F42 -","- C74 F42 -","1","1","","Omelyanyuk, Nadezhda A; Goryunkov, Alexey A; Tamm, Nadezhda B; Avdoshenko, Stanislav M; Ioffe, Ilya N; Sidorov, Lev N; Kemnitz, Erhard; Troyanov, Sergey I","New trifluoromethylated derivatives of [60]fullerene, C60(CF3)n with n = 12 and 14.","Chemical communications (Cambridge, England)","2007","","45","4794","4796","10.1039/b709684d","","","0.905","synchrotron","","0.0735","0.072","","","0.1806","0.1871","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102381","9.888","0.0006","10.5709","0.0008","10.8837","0.0008","108.652","0.003","107.329","0.004","99.374","0.004","986.15","0.12","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H69 Al Li N O4 -","- C37 H69 Al Li N O4 -","- C37 H69 Al Li N O4 -","1","1","","Conway, Ben; Hevia, Eva; García-Alvarez, Joaquín; Graham, David V; Kennedy, Alan R; Mulvey, Robert E","Isolation and structural elucidation of a key aluminoaromatic intermediate and evidence for dismutation phenomena in TMP-alumination chemistry.","Chemical communications (Cambridge, England)","2007","","48","5241","5243","10.1039/b713913f","","","0.71073","MoKα","","0.0913","0.0494","","","0.0939","0.1087","","","","","","1.017","","","","has coordinates,has disorder","180125","2020-10-21","18:00:00",""
"7102402","13.8627","0.0003","17.1623","0.0003","20.0027","0.0004","65.1372","0.0007","70.6427","0.0007","66.0815","0.0007","3872.01","0.13","150","","150","","","","","","","","?","3","P 1","P 1","1","","","","- C62 H102 O50 -","- C62 H83 O50.09 -","- C124 H166 O100.18 -","2","2","","Terao, Jun; Tang, Andrew; Michels, Jasper J; Krivokapic, Alexander; Anderson, Harry L","Synthesis of poly(para-phenylenevinylene) rotaxanes by aqueous Suzuki coupling.","Chemical communications (Cambridge, England)","2004","","1","56","57","10.1039/b311762f","","","0.71073","MoKα","","0.1271","0.095","","0.1387","0.109","0.109","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102517","12.368","0.005","12.739","0.006","19.836","0.008","92.953","0.014","93.284","0.013","118.52","0.015","2730","2","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C94 H108 Cl2 Co2 N20 O36 S6 -","- C94 H104 Cl2 Co2 N20 O36 S6 -","- C94 H104 Cl2 Co2 N20 O36 S6 -","1","1","","Harding, Lindsay P; Jeffery, John C; Riis-Johannessen, T; Rice, Craig R; Zeng, Zuotao","Anion control of ligand self-recognition in a triple helical array.","Chemical communications (Cambridge, England)","2004","","6","654","655","10.1039/b313218h","","","0.71073","MoKα","","0.1574","0.0569","","","0.1017","0.1298","","","","","","0.846","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102608","10.2302","0.0003","13.7883","0.0005","15.1221","0.0006","88.661","0.002","84.853","0.002","79.504","0.002","2088.88","0.13","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C42 H60 B3 F6 N5 O -","- C42 H60 B3 F6 N5 O -","- C84 H120 B6 F12 N10 O2 -","2","2","","Köhler, Thomas; Hodgson, Michael C; Seidel, Daniel; Veauthier, Jacqueline M; Meyer, Sylvie; Lynch, Vincent; Boyd, Peter D W; Brothers, Penelope J; Sessler, Jonathan L","Octaethylporphyrin and expanded porphyrin complexes containing coordinated BF2 groups.","Chemical communications (Cambridge, England)","2004","","9","1060","1061","10.1039/b400596a","","","0.71073","MoKα","","0.1522","0.0708","","","0.1162","0.1393","","","","","","1.15","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102905","7.8632","0.0012","8.6162","0.0013","10.2185","0.0015","105.735","0.002","110.632","0.002","103.174","0.002","582.04","0.15","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- N0.2 O0.8 Se1.8 Sn0.6 Zn0.6 -","- N0.2 O0.8 Se1.8 Sn0.6 Zn0.6 -","- N O4 Se9 Sn3 Zn3 -","5","5","","Manos, Manolis J; Jang, Joon I; Ketterson, John B; Kanatzidis, Mercouri G","[Zn(H2O)4][Zn2Sn3Se9(MeNH2)]: a robust open framework chalcogenide with a large nonlinear optical response.","Chemical communications (Cambridge, England)","2008","","8","972","974","10.1039/b712732d","","","0.71073","MoKα","","0.0421","0.0372","","","0.0812","0.0833","","","","","","0.939","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103063","10.6814","0.0003","11.1396","0.0003","11.4818","0.0004","103.635","0.0011","93.4413","0.0012","110.096","0.002","1231.87","0.06","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C55 H36 I3 N7 O4 -","- C55 H36 I3 N7 O4 -","- C55 H36 I3 N7 O4 -","1","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","","0.059","0.0418","","","0.0843","0.0926","","","","","","1.014","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103064","15.9721","0.0004","17.4838","0.0004","18.8968","0.0005","66.9846","0.001","86.9631","0.0011","75.2704","0.001","4690.9","0.2","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H36 I3 N7 O Zn -","- C51 H36 I3 N7 O Zn -","- C204 H144 I12 N28 O4 Zn4 -","4","4","","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","","0.1009","0.0669","","","0.159","0.1823","","","","","","1.038","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103185","5.0446","0.0006","11.513","0.0014","11.8712","0.0014","101.158","0.003","93.095","0.003","93.654","0.002","673.5","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","3-bromo-2,7,12,17-tetra-n-propylporphycene","","","- C32 H37 Br N4 -","- C32 H37 Br N4 -","- C32 H37 Br N4 -","1","1","","Shimakoshi, Hisashi; Baba, Tatsushi; Iseki, Yusuke; Aritome, Isao; Endo, Ayataka; Adachi, Chihaya; Hisaeda, Yoshio","Photophysical and photosensitizing properties of brominated porphycenes.","Chemical communications (Cambridge, England)","2008","","25","2882","2884","10.1039/b802730g","","","0.71073","MoKα","","0.073","0.0628","","","0.1636","0.1816","","","","","","1.074","","","","has coordinates,has disorder","180133","2020-10-21","18:00:00",""
"7103192","9.0546","0.0018","10.325","0.002","22.378","0.005","80.108","0.006","81.866","0.006","65.132","0.005","1864.3","0.6","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C80 H88 N8 O16 -","2","2","","Basak, Amit; Mitra, Debarati; Kar, Moumita; Biradha, Kumar","Design, synthesis and DNA-cleaving efficiency of photoswitchable dimeric azobenzene-based C2-symmetric enediynes.","Chemical communications (Cambridge, England)","2008","","26","3067","3069","10.1039/b801644e","","","0.71073","MoKα","","0.0943","0.0558","","","0.1425","0.1661","","","","","","0.978","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103400","10.8444","0.0009","12.1356","0.0011","12.3556","0.0011","113.895","0.009","109.772","0.008","99.385","0.007","1311.2","0.2","140","1","140","1","","","","","","","","5","P 1","P 1","1","Compound 3","","","- C58 H70 Al2 N4 O2 -","- C58 H70 Al2 N4 O2 -","- C58 H70 Al2 N4 O2 -","1","1","","Arbaoui, Abdessamad; Redshaw, Carl; Hughes, David L","Multinuclear alkylaluminium macrocyclic Schiff base complexes: influence of procatalyst structure on the ring opening polymerisation of epsilon-caprolactone.","Chemical communications (Cambridge, England)","2008","","39","4717","4719","10.1039/b810417d","","","0.71073","Mo-Kα","","0.0439","0.0351","","","0.0789","0.0815","","","","","","0.968","","","","has coordinates,has disorder","180137","2020-10-21","18:00:00",""
"7103424","6.305","0.002","13.323","0.005","13.959","0.005","86.986","0.01","81.092","0.009","85.727","0.009","1154.1","0.7","153.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C54 H64 N2 O6 -","- C54 H64 N2 O6 -","- C54 H64 N2 O6 -","1","1","","Katoono, Ryo; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Designed molecular propellers based on tetraarylterephthalamide and their chiroptical properties induced by biased helicity through transmission of point chirality.","Chemical communications (Cambridge, England)","2008","","40","4906","4908","10.1039/b808936a","","","0.7107","MoKα","","","0.043","","","","0.1321","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103498","9.7296","0.0018","11.309","0.002","11.78","0.002","65.152","0.004","68.166","0.004","64.564","0.004","1032.7","0.3","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H28 O3 S2 -","- C17 H28 O3 S2 -","- C34 H56 O6 S4 -","2","2","","Xu, Junye; Fu, Xiao; Low, Ruijuan; Goh, Yong-Peng; Jiang, Zhiyong; Tan, Choon-Hong","Tandem conjugate addition-elimination reaction promoted by chiral pyrrolidinyl sulfonamide (CPS).","Chemical communications (Cambridge, England)","2008","","43","5526","5528","10.1039/b810905m","","","0.71073","MoKα","","0.1174","0.086","","","0.1925","0.2129","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103509","8.7651","0.0003","8.7941","0.0004","13.6911","0.0006","73.567","0.002","73.048","0.002","81.472","0.002","965.74","0.07","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H22 N2 O10 Zn2 -","- C24 H22 N2 O10 Zn2 -","- C24 H22 N2 O10 Zn2 -","1","1","","Sbircea, Lenuta; Sharma, Narain D; Clegg, William; Harrington, Ross W; Horton, Peter N; Hursthouse, Michael B; Apperley, David C; Boyd, Derek R; James, Stuart L","Chemoenzymatic synthesis of chiral 4,4'-bipyridyls and their metal-organic frameworks.","Chemical communications (Cambridge, England)","2008","","43","5538","5540","10.1039/b812366g","","","0.71073","MoKα","","0.0569","0.0489","","","0.1179","0.1222","","","","","","1.071","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103514","8.4976","0.0006","12.1259","0.0009","15.2413","0.0012","75.768","0.003","81.86","0.004","89.743","0.004","1506.19","0.19","228","2","228","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H35 N O8 S2 -","- C30 H35 N O8 S2 -","- C60 H70 N2 O16 S4 -","2","2","","Li, Hao; Zu, Liansuo; Xie, Hexin; Wang, Jian; Wang, Wei","Highly enantio- and diastereoselective organocatalytic cascade aza-Michael-Michael reactions: a direct method for the synthesis of trisubstituted chiral pyrrolidines.","Chemical communications (Cambridge, England)","2008","","43","5636","5638","10.1039/b812464g","","","0.71073","MoKα","","0.0723","0.0666","","","0.1679","0.1742","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104543","13.7086","0.0002","13.756","0.0002","16.0247","0.0002","81.389","0.001","81.613","0.001","61.0206","0.0007","2604.3","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C75 H142 O66 S6 -","- C72 H114 O54 S6 -","- C72 H114 O54 S6 -","1","1","","Krejcí, Lucie; Budesínský, Milos; Císarová, Ivana; Kraus, Tomás","Tubular duplex alpha-cyclodextrin triply bridged with disulfide bonds: synthesis, crystal structure and inclusion complexes.","Chemical communications (Cambridge, England)","2009","34","24","3557","3559","10.1039/b904933a","","","0.71073","MoKα","","0.0623","0.0564","","","0.1523","0.1573","","","","","","1.054","","","","has coordinates,has disorder","180148","2020-10-21","18:00:00",""
"7104548","6.581","0.008","7.123","0.008","11.041","0.013","102.325","0.016","96.496","0.017","110.764","0.016","462.6","0.9","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C18 H24 O6 -","1","1","","Boyd, Derek R; Sharma, Narain D; Malone, John F; Allen, Christopher C R","New families of enantiopure cyclohexenone cis-diol, o-quinol dimer and hydrate metabolites from dioxygenase-catalysed dihydroxylation of phenols.","Chemical communications (Cambridge, England)","2009","34","24","3633","3635","10.1039/b905940g","","","0.71073","MoKα","","0.0568","0.0494","","","0.1259","0.1329","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104624","9.694","0.002","14.896","0.004","16.783","0.005","87.21","0.011","87.61","0.011","85.29","0.011","2410.8","1.2","291","2","291","2","","","","","","","","6","P 1","P 1","1","","","","- C48 H48 Hg N6 O8 S2 -","- C48 H48 Hg N6 O8 S2 -","- C96 H96 Hg2 N12 O16 S4 -","2","2","","Li, Hong-Wei; Li, Yue; Dang, Yong-Qiang; Ma, Li-Jun; Wu, Yuqing; Hou, Guangfeng; Wu, Lixin","An easily prepared hypersensitive water-soluble fluorescent probe for mercury(II) ions.","Chemical communications (Cambridge, England)","2009","34","29","4453","4455","10.1039/b907386h","","","0.71073","MoKα","","0.071","0.0453","","","0.0789","0.0891","","","","","","0.965","","","","has coordinates,has disorder","180149","2020-10-21","18:00:00",""
"7104911","7.6371","0.0003","9.103","0.0003","10.5163","0.0004","111.657","0.002","106.12","0.002","97.915","0.002","628.71","0.04","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H44 Li N3 Si2 -","- C21 H44 Li N3 Si2 -","- C21 H44 Li N3 Si2 -","1","1","","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","","","0.71073","MoKα","","0.0632","0.0504","","","0.1318","0.1416","","","","","","1.091","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7104972","10.1039","0.0006","11.6511","0.0007","11.8095","0.0007","116.042","0.001","90.402","0.003","95.849","0.004","1240.5","0.13","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C34 H26 O3 -","- C34 H26 O3 -","- C68 H52 O6 -","2","2","","Latorre, Alfonso; Urbano, Antonio; Carreño, M Carmen","Dynamic kinetic resolution in the asymmetric synthesis of atropisomeric biaryl[4] and [5]helicene quinones.","Chemical communications (Cambridge, England)","2009","","43","6652","6654","10.1039/b907653k","","","0.71073","MoKα","","0.0651","0.0584","","","0.1599","0.1639","","","","","","1.033","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7105048","13.9984","0.0012","14.177","0.003","14.8798","0.0018","116.584","0.001","103.726","0.003","99.945","0.002","2429.6","0.6","291","2","291","2","","","","","","","","8","P 1","P 1","1","","","","- C60 H108 B2 Cl4 Fe2 N30 Ni3 O18 -","- C60 H108 B2 Cl4 Fe2 N30 Ni3 O18 -","- C60 H108 B2 Cl4 Fe2 N30 Ni3 O18 -","1","1","","Wang, Cai-Feng; Li, Dong-Ping; Chen, Xin; Li, Xiao-Ming; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Assembling chirality into magnetic nanowires: cyano-bridged iron(III)-nickel(II) chains exhibiting slow magnetization relaxation and ferroelectricity.","Chemical communications (Cambridge, England)","2009","","45","6940","6942","10.1039/b916637h","","","0.71073","MoKα","","0.0635","0.0528","","","0.0926","0.0943","","","","","","1.04","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105049","14","0.002","14.1403","0.0011","14.868","0.003","116.613","0.004","103.801","0.003","99.856","0.003","2421","0.6","291","2","291","2","","","","","","","","8","P 1","P 1","1","","","","- C60 H108 B2 Cl4 Fe2 N30 Ni3 O18 -","- C60 H108 B2 Cl4 Fe2 N30 Ni3 O18 -","- C60 H108 B2 Cl4 Fe2 N30 Ni3 O18 -","1","1","","Wang, Cai-Feng; Li, Dong-Ping; Chen, Xin; Li, Xiao-Ming; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Assembling chirality into magnetic nanowires: cyano-bridged iron(III)-nickel(II) chains exhibiting slow magnetization relaxation and ferroelectricity.","Chemical communications (Cambridge, England)","2009","","45","6940","6942","10.1039/b916637h","","","0.71073","MoKα","","0.0695","0.0581","","","0.1181","0.1211","","","","","","1.047","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105124","6.746","0.003","8.675","0.003","11.483","0.004","102.121","0.004","98.334","0.003","104.318","0.005","622.7","0.4","110.1","","","","","","","","","","","3","P 1","P 1","1","","","","- C16 H18 O4 -","- C16.3 H18 O4.035 -","- C32.6 H36 O8.07 -","2","2","","Nicolaou, K C; Dong, Lin; Deng, Lujiang; Talbot, Adam C; Chen, David Y-K","Synthesis of functionalized maoecrystal V core structures.","Chemical communications (Cambridge, England)","2009","46","1","70","72","10.1039/b917045f","","","0.71075","MoKα","","","0.0459","","","","0.0427","","","","","","6.924","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105267","8.061","0.002","10.513","0.003","11.444","0.003","67.43","0.004","80.858","0.004","87.369","0.004","884.1","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","2","","Wang, Junfeng; Wang, Xin; Ge, Zemei; Cheng, Tieming; Li, Runtao","Highly enantioselective Michael addition of cyclopentanone with chalcones via novel di-iminium mechanism.","Chemical communications (Cambridge, England)","2010","46","10","1751","1753","10.1039/b915852a","","","0.71073","MoKα","","0.0638","0.0416","","","0.0931","0.1077","","","","","","1.019","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105283","8.06","0.004","11.747","0.005","12.667","0.004","73.57","0.015","72.596","0.016","81.126","0.017","1094.5","0.8","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C32 H46 Cu2 F12 N6 O8 P2 S2 -","- C32 H42 Cu2 F12 N6 O8 P2 S2 -","- C32 H42 Cu2 F12 N6 O8 P2 S2 -","1","1","","Seko, Hiroyuki; Tsuge, Kiyoshi; Igashira-Kamiyama, Asako; Kawamoto, Tatsuya; Konno, Takumi","Autoxidation of thiol-containing amino acid to its disulfide derivative that links two copper(II) centers: the important role of auxiliary ligand.","Chemical communications (Cambridge, England)","2010","46","11","1962","1964","10.1039/b913989c","","","0.71075","MoKα","","0.0689","0.0547","","","0.1587","0.2126","","","","","","1.048","","","","has coordinates,has disorder","180156","2020-10-21","18:00:00",""
"7105284","9.2122","0.0016","10.061","0.0017","19.077","0.003","97.466","0.003","100.634","0.004","99.365","0.003","1691.2","0.5","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H27.5 Cl2 Cu2 N6 O12.75 S2 -","- C26 H26.5 Cl2 Cu2 N6 O12.75 S2 -","- C52 H53 Cl4 Cu4 N12 O25.5 S4 -","2","2","","Seko, Hiroyuki; Tsuge, Kiyoshi; Igashira-Kamiyama, Asako; Kawamoto, Tatsuya; Konno, Takumi","Autoxidation of thiol-containing amino acid to its disulfide derivative that links two copper(II) centers: the important role of auxiliary ligand.","Chemical communications (Cambridge, England)","2010","46","11","1962","1964","10.1039/b913989c","","","0.71075","MoKα","","0.2105","0.0916","","","0.2273","0.3127","","","","","","0.953","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105299","11.493","0.002","11.622","0.002","17.518","0.004","90.48","0.03","104.77","0.03","97.51","0.03","2241.1","0.8","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C45.5 H43 Au Cl4 N2 O2.5 P2 -","- C45.5 H43 Au Cl4 N2 O2.5 P2 -","- C91 H86 Au2 Cl8 N4 O5 P4 -","2","2","","Nasser, Nasser; Eisler, Dana J; Puddephatt, Richard J","A chiral diphosphine as trans-chelate ligand and its relevance to catalysis.","Chemical communications (Cambridge, England)","2010","46","11","1953","1955","10.1039/b923911a","","","0.71073","MoKα","","0.0665","0.0578","","","0.1345","0.1408","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105300","11.9958","0.0004","12.1404","0.0003","18.3736","0.0006","73.731","0.002","89.798","0.002","81.87","0.002","2541.02","0.14","293","2","293","2","","","","","","","","9","P 1","P 1","1","","","","- C47 H46 Au B Cl6 F4 N2 O2 P2 -","- C47 H46 Au B Cl6 F4 N2 O2 P2 -","- C94 H92 Au2 B2 Cl12 F8 N4 O4 P4 -","2","2","","Nasser, Nasser; Eisler, Dana J; Puddephatt, Richard J","A chiral diphosphine as trans-chelate ligand and its relevance to catalysis.","Chemical communications (Cambridge, England)","2010","46","11","1953","1955","10.1039/b923911a","","","0.71073","MoKα","","0.0846","0.0612","","","0.1514","0.166","","","","","","1.024","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105512","11.3402","0.0017","16.194","0.003","16.249","0.003","110.322","0.0017","92.39","0.0011","109.634","0.0013","2592.9","0.8","123","","123","","","","","","","","","7","P 1","P 1","1","","","","- C95 H124 Ir N4 Na3 O42 S4 -","- C95 H108 Ir N4 Na3 O42 S4 -","- C95 H108 Ir N4 Na3 O42 S4 -","1","1","","Kanemitsu, Hironobu; Harada, Ryosuke; Ogo, Seiji","A water-soluble iridium(iii) porphyrin","Chemical Communications","2010","46","18","3083","3085","10.1039/c000263a","","","0.71075","MoKα","","","0.0408","","","","0.1023","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105551","13.8755","0.0003","17.7282","0.0003","17.4932","0.0003","77.41","0.013","66.587","0.014","65.518","0.013","3586.5","0.5","200","","","","","","","","","","","5","P 1","P 1","1","","","","- C43.5 H110 Co N6 O47.5 -","- C43.5 Co N6 O47.5 -","- C87 Co2 N12 O95 -","2","2","","Ohta, Natsuki; Fuyuhiro, Akira; Yamanari, Kazuaki","Crystal structure and chiral recognition of supramolecular complex composed of tris(1,2-diaminoethane)cobalt(iii) carbonate and α-cyclodextrin, [Co(en)3]2(CO3)3·2(α-CDX)","Chemical Communications","2010","46","20","3535","","10.1039/b923824g","","","0.7107","MoK06a","","","0.1368","","","","0.3981","","","","","","1.467","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105552","13.8379","0.0018","17.469","0.002","17.772","0.002","83.767","0.002","65.734","0.003","66.892","0.002","3595.2","0.8","150","","","","","","","","","","","5","P 1","P 1","1","","","","- C44.5 H115 Co N6 O49 -","- C44.5 Co N6 O49 -","- C89 Co2 N12 O98 -","2","2","","Ohta, Natsuki; Fuyuhiro, Akira; Yamanari, Kazuaki","Crystal structure and chiral recognition of supramolecular complex composed of tris(1,2-diaminoethane)cobalt(iii) carbonate and α-cyclodextrin, [Co(en)3]2(CO3)3·2(α-CDX)","Chemical Communications","2010","46","20","3535","","10.1039/b923824g","","","0.71075","MoK06a","","","0.0727","","","","0.2081","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105553","13.9205","0.0003","17.8065","0.0005","17.6812","0.0004","83.208","0.0008","65.3909","0.0008","66.6668","0.0008","3653.05","0.16","200","","","","","","","","","","","5","P 1","P 1","1","","","","- C43.5 H105 Co N6 O45 -","- C43.5 Co N6 O45 -","- C87 Co2 N12 O90 -","2","2","","Ohta, Natsuki; Fuyuhiro, Akira; Yamanari, Kazuaki","Crystal structure and chiral recognition of supramolecular complex composed of tris(1,2-diaminoethane)cobalt(iii) carbonate and α-cyclodextrin, [Co(en)3]2(CO3)3·2(α-CDX)","Chemical Communications","2010","46","20","3535","","10.1039/b923824g","","","0.71075","MoK06a","","","0.1224","","","","0.3566","","","","","","1.652","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105623","7.6737","0.0002","8.1634","0.0002","17.7545","0.0006","79.593","0.0019","87.517","0.002","65.233","0.002","992.64","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H23 I4 O5 S13 -","- C26 H23 I4 O5 S13 -","- C26 H23 I4 O5 S13 -","1","1","","Brezgunova, Mariya; Shin, Kyung-Soon; Auban-Senzier, Pascale; Jeannin, Olivier; Fourmigué, Marc","Combining halogen bonding and chirality in a two-dimensional organic metal (EDT-TTF-I(2))(2)(D-camphorsulfonate).H(2)O.","Chemical communications (Cambridge, England)","2010","46","22","3926","3928","10.1039/c0cc00175a","","","0.71073","MoKα","","0.0373","0.0265","","","0.0586","0.0628","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105624","8.9474","0.0016","9.1515","0.0016","29.391","0.005","87.563","0.002","82.486","0.002","88.842","0.002","2383.5","0.7","150","2","150","2","","","","","","","","4","P 1","P 1","1","Isopropylidine C2 Ceramide","Isopropylidine C2 Ceramide","","- C23 H43 N O3 -","- C23 H43 N O3 -","- C92 H172 N4 O12 -","4","4","","Harrell, Jr, William A; Bergmeyer, Marie Liesel; Zavalij, Peter Y.; Davis, Jeffery T.","Ceramide-mediated transport of chloride and bicarbonate across phospholipid membranes.","Chemical communications (Cambridge, England)","2010","46","22","3950","3952","10.1039/c0cc00493f","","","0.71073","MoKα","","0.0739","0.0586","","","0.1236","0.129","","","","","","1","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105663","7.3133","0.0003","8.2316","0.0003","11.567","0.0004","88.171","0.003","84.518","0.003","86.427","0.002","691.57","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H28 N2 O12 S2 -","- C25 H28 N2 O12 S2 -","- C25 H28 N2 O12 S2 -","1","1","","Grove, Rebecca C.; Malehorn, Steven H.; Breen, Meghan E.; Wheeler, Kraig A.","A photoreactive crystalline quasiracemate.","Chemical communications (Cambridge, England)","2010","46","39","7322","7324","10.1039/c0cc02775h","","","1.54178","CuKα","","0.0495","0.0415","","","0.1048","0.1113","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105665","7.2486","0.0002","8.1094","0.0002","11.8857","0.0003","89.015","0.002","82.881","0.002","83.67","0.002","689.05","0.03","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H28 N2 O12 S2 -","- C25 H28 N2 O12 S2 -","- C25 H28 N2 O12 S2 -","1","1","","Grove, Rebecca C.; Malehorn, Steven H.; Breen, Meghan E.; Wheeler, Kraig A.","A photoreactive crystalline quasiracemate.","Chemical communications (Cambridge, England)","2010","46","39","7322","7324","10.1039/c0cc02775h","","","0.71073","MoKα","","0.071","0.0434","","","0.0945","0.1106","","","","","","1.016","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7105710","15.7044","0.0002","15.9465","0.0002","17.4245","0.0002","69.282","0.007","75.031","0.007","63.004","0.006","3611.6","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C152 H142 Au8 F12 N2 O5 P10 -","- C152 H142 Au8 F12 N2 O5 P10 -","- C152 H142 Au8 F12 N2 O5 P10 -","1","1","","Igor Koshevoy; Matti Haukka; Stanislav Selivanov; Sergey Tunik; Tapani Pakkanen","Assembly of the Au–diphosphine helical cage molecules via alkynyl–?4-methylydine ligand transformation (C152 H142 Au8 F12 N2 O5 P10 and C155 H112 Au8 Cl6 F12 O2 P10)","Chem.Commun.","2010","46","","8926","","10.1039/c0cc03953e","","","0.71073","MoKα","","0.0308","0.0258","","","0.0552","0.0575","","","","","","1.043","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105759","9.3195","0.001","9.3688","0.001","26.301","0.003","82.514","0.004","88.091","0.004","69.752","0.005","2136","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H18 Cl2 O3 -","- C26 H18 Cl2 O3 -","- C104 H72 Cl8 O12 -","4","4","","Carlo Cassani; Xu Tian; Eduardo Escudero-Adan; Paolo Melchiorre","Multiple approaches to enantiopure spirocyclic benzofuranones using organocatalytic cascade reactions","Chem.Commun.","2011","47","","233","","10.1039/c0cc01957g","","","0.71073","MoKα","","0.0976","0.0845","","","0.2361","0.2513","","","","","","1.052","","","","has coordinates","288243","2023-12-12","09:57:14",""
"7105778","10.747","0.005","11.762","0.005","12.896","0.005","75.128","0.005","70.329","0.005","86.267","0.005","1483.2","1.1","113","","113","","","","","","","","","7","P 1","P 1","1","","","","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","1","1","","Shoko Kume; Hiroshi Nishihara","Tuning-up and Driving a Redox-active Rotor","Chem.Commun.","2011","47","","415","","10.1039/c0cc02193h","","","0.71073","MoKα","","","0.052","","","","0.1426","","","","","","1.037","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105783","13.864","0.0012","14.575","0.001","16.843","0.0012","69.705","0.005","77.952","0.003","75.179","0.003","3058.8","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C92 H162 N25 O31.5 S6 -","- C92 H155 N25 O31.5 S6 -","- C92 H155 N25 O31.5 S6 -","1","1","","Philip Young; Jack Clegg; Mohan Bhadbhade; Katrina Jolliffe","Hybrid Cyclic Peptide-Thiourea Cages for Anion Recognition","Chem.Commun.","2011","47","","463","","10.1039/c0cc02223c","","","0.71073","MoKα","","0.0738","0.0492","","","0.1147","0.1272","","","","","","1.049","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7105870","5.679836","0.000031","11.411299","0.000069","34.57185","0.00021","90","","90","","90","","2240.75","0.02","12","","12","","","","","","","","","4","P 1","P 1","1","","","","- Ce2 Fe O2 Se2 -","- Ce2 Fe O2 Se2 -","- Ce32 Fe16 O32 Se32 -","16","16","","Emma McCabe; David Free; John Evans","A new iron oxyselenide Ce2O2FeSe2: synthesis and characterisation","Chem.Commun.","2011","47","","1261","","10.1039/c0cc03477k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106078","13.663","0.002","18.329","0.003","22.173","0.004","67.204","0.003","88.26","0.004","86.712","0.003","5110.4","1.5","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C198 H258 Mn9 N18 O48 -","- C198 H239 Mn9 N18 O48 -","- C198 H239 Mn9 N18 O48 -","1","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Yong Cui","Nano- and microcrystals of a Mn-based metal–oligomer framework showing size-dependent magnetic resonance behaviors","Chem.Commun.","2011","47","","3180","","10.1039/c0cc03981k","","","0.71073","MoKα","","0.1085","0.0835","","","0.2038","0.2203","","","","","","1.051","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106184","7.702","0.003","9.503","0.005","16.765","0.005","84.074","0.007","77.313","0.007","67.731","0.007","1107.5","0.8","150","2","150","2","","","","","","","","4","P 1","P 1","1","4,4'-bipyridyl:4-hydroxybenzoicacid form 3","","","- C27 H22 N4 O3 -","- C27 H22 N4 O3 -","- C54 H44 N8 O6 -","2","2","","Gautam R. Desiraju; Arijit Mukherjee","Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4?-bipyridine–4-hydroxybenzoic acid structural landscape","Chem.Commun.","2011","47","","4090","","10.1039/c0cc05857b","","","0.71073","MoKα","","0.067","0.0524","","","0.1297","0.1398","","","","","","1.03","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106513","6.941","0.006","7.13","0.006","18.45","0.015","90.096","0.01","90.099","0.012","90.035","0.012","913.1","1.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 Br2 O2 S -","- C18 H16 Br2 O2 S -","- C36 H32 Br4 O4 S2 -","2","2","","Shengcai Zheng; Weiwing Huang; Ning Gao; Ruimin Cui; Min Zhang; Xiaoming Zhao","One Pot Iridium-Catalyzed Asymmetrical Double Allylations of Sodium Sulfide:a Fast and Economic Way to Construct Chiral C2-Symmetric Bis(1-Substituted-Allyl)Sulfane","Chem.Commun.","2011","47","","6969","","10.1039/c1cc11930c","","","0.71073","MoKα","","0.0942","0.0775","","","0.2218","0.2412","","","","","","1.06","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106719","12.9772","0.0003","14.3714","0.0002","22.68","0.0006","73.075","0.001","79.981","0.001","69.56","0.001","3779.49","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","1","1","","Deepak Asthana; Anil Kumar; Abhishek Pathak; Pradip Kumar Sukul; Sudip Malik; Ratnamala Chatterjee; Satyabrata Patnaik; Kari Rissanen","An all-organic steroid-D-p-A modular design drives ferroelectricity in supramolecular solids and nano-architectures at RT","Chem.Commun.","2011","47","","8928","","10.1039/c1cc12398j","","x-ray","0.71073","MoKα","","0.0824","0.061","","","0.13","0.1427","","","","","","1.03","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106843","6.6681","0.0005","11.0049","0.0011","21.379","0.002","91.41","0.008","95.287","0.007","106.366","0.008","1496.8","0.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C53 H63 Cl9 N6 O4 -","- C53 H63 Cl9 N6 O4 -","- C53 H63 Cl9 N6 O4 -","1","1","","Pedro Ramirez-Lopez; Maria C. de la Torre; Maria Asenjo; Julio Ramirez-Castellanos; Jose M. Gonzalez-Calbet; Alejandra Rodriguez-Gimeno; Carmen Ramirez de Arellano; Miguel A. Sierra","A New Family of ""Clicked"" Estradiol-Based Low-Molecular-Weight Gelators Having Highly Symmetry-Dependent Gelation Ability","Chem.Commun.","2011","47","","10281","","10.1039/c1cc13251b","","","0.71073","MoKα","","0.1918","0.1092","","","0.245","0.2675","","","","","","1.112","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7107005","9.3265","0.0007","10.3739","0.0008","11.1923","0.0008","68.503","0.005","86.581","0.006","69.849","0.005","943.12","0.13","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C47 H41 N5 O4 -","- C47 H41 N5 O4 -","- C47 H41 N5 O4 -","1","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0489","0.0402","","","0.1038","0.1119","","","","","","1.052","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107045","14.6994","0.0011","16.5936","0.0012","17.1117","0.0012","83.298","0.001","85.992","0.001","63.96","0.001","3723.7","0.5","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C152 H176 N8 O34 Pd2 S10 -","- C152 H176 N8 O34 Pd2 S10 -","- C152 H176 N8 O34 Pd2 S10 -","1","1","","Ryo Sekiya; Reiko Kuroda","Pd2+***O3SR^-^ interaction encourages anion encapsulation in a quadruply-stranded Pd complex to achieve chirality or high solubility","Chem.Commun.","2011","47","","12346","","10.1039/c1cc14982b","","x-ray","0.71073","MoKα","","0.04","0.0361","","","0.0953","0.0974","","","","","","1.057","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107367","8.886","0.003","11.478","0.003","12.337","0.003","91.92","0.02","98.96","0.02","103.52","0.02","1205.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H68 N4 O12 Zn2 -","- C44 H61 N4 O12 Zn2 -","- C44 H61 N4 O12 Zn2 -","1","1","","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","","0.0568","0.0367","","","0.0816","0.0852","","","","","","0.964","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107508","5.614","0.002","8.72","0.003","10.053","0.004","78.575","0.011","82.289","0.012","87.57","0.015","478","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 Cl N2 O3.23 -","- C20 H23 Cl N2 O3.245 -","- C20 H23 Cl N2 O3.245 -","1","1","","Peng Chen; Ming Gao; De-Xian Wang; Liang Zhao; Mei-Xiang Wang","Practical biocatalytic desymmetrization of meso-N-heterocyclic dicarboxamides and their application in the construction of aza-sugar containing nucleoside analogs","Chem.Commun.","2012","48","","3482","","10.1039/c2cc18012j","","","0.71073","MoKα","","0.0522","0.0505","","","0.1212","0.1232","","","","","","1.064","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107511","6.5338","0.0009","21.451","0.003","12.1305","0.0016","90","","95.016","0.003","90","","1693.7","0.4","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","4","","Wei-Jian Xue; Qi Li; Yan-Ping Zhu; Jun-Gang Wang; An-Xin Wu","Convergent integration of two self-labor domino sequences: a novel method for the synthesis of oxazole derivatives from methyl ketones and benzoins","Chem.Commun.","2012","48","","3485","","10.1039/c2cc18077d","","","0.71073","MoKα","","0.1036","0.0606","","","0.1052","0.1213","","","","","","0.992","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107633","5.3494","0.0011","10.901","0.002","11.123","0.002","73.698","0.013","82.129","0.015","81.024","0.015","611.9","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H22 F N O2 S2 -","- C28 H22 F N O2 S2 -","- C28 H22 F N O2 S2 -","1","1","","Zhi-Cong Geng; Ning Li; Jian Chen; Xiao-Fei Huang; Bin Wu; Guo-Gui Liu; Xing-Wang Wang","Enantioselective synthesis of optically active cis-B-thio-a-amino acid derivatives through an organocatalytic cascade thio-Michael/ring opening proces","Chem.Commun.","2012","48","","4713","","10.1039/c2cc30799e","","","0.7107","MoKα","","0.0666","0.0551","","","0.13","0.1424","","","","","","1.039","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107724","9.1521","0.0003","14.3285","0.0004","20.2138","0.0006","97.7195","0.0013","97.2737","0.0019","89.468","0.002","2605.51","0.14","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","4","","Hidetoshi Watanabe; Tomoyuki Yoshimura; Shimpei Kawakami; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata","Asymmetric aldol reaction via memory of chirality","Chem.Commun.","2012","48","","5346","","10.1039/c2cc31447a","","","0.71069","MoKα","","0.0762","0.0551","","","0.121","0.1297","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107840","9.0921","0.0012","9.5542","0.0012","12.8573","0.0017","72.794","0.002","70.787","0.002","78.211","0.002","1000.4","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C45 H51 Br O6 -","- C45 H51 Br O6 -","- C45 H51 Br O6 -","1","1","","Xing-Wei Yang; Xu Deng; Xia Liu; Chun-Yan Wu; Xiao-Nian Li; Bin Wu; Huai-Rong Luo; Yan Li; Hong-Xi Xu; Qin-Shi Zhao; Gang Xu","Hypercohin A, a new polycyclic polyprenylated acylphloroglucinol possessing an unusual bicyclo[5.3.1]hendecane core from Hypericum cohaerens","Chem.Commun.","2012","48","","5998","","10.1039/c2cc32352d","","","0.71073","MoKα","","0.0391","0.0357","","","0.103","0.1042","","","","","","1.037","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107937","8.6061","0.0008","9.5866","0.0011","19.364","0.002","82.273","0.004","80.021","0.003","89.854","0.003","1558.8","0.3","296","","296","","","","","","","","","6","P 1","P 1","1","","","","- C30 H41 N O4 S Sn -","- C30 H41 N O4 S Sn -","- C60 H82 N2 O8 S2 Sn2 -","2","2","","Akio Kamimura; Shingo Ishikawa; Fumiaki Noguchi; Takaaki Moriyama; Masahiro So; Toshihiro Murafuji; Hidemitsu Uno","Unexpected formation of stannolanes and trigonal bipyramidal tin complexes by radical cyclization reaction","Chem.Commun.","2012","48","","6592","","10.1039/c2cc31753b","","","0.71075","MoKα","","","0.058","","","","0.1796","","","","","","1.071","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107944","10.5163","0.0005","12.2376","0.0006","18.5565","0.0006","99.611","0.003","94.095","0.002","101.605","0.002","2292.79","0.18","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H54 Cu I N2 P2 -","- C54 H54 Cu I N2 P2 -","- C108 H108 Cu2 I2 N4 P4 -","2","2","","Paul D. Newman; Kingsley J. Cavell; Benson M. Kariuki","Monovalent chiral-at-copper complexes: halide-controlled diastereoselectivity","Chem.Commun.","2012","48","","6511","","10.1039/c2cc33036a","","","0.71073","MoKα","","0.1118","0.0713","","","0.1441","0.1642","","","","","","1.083","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108160","9.5223","0.0001","10.2081","0.0001","18.3986","0.0003","89.2381","0.0006","80.7371","0.0006","63.7452","0.0006","1579.62","0.04","90","0.2","90","0.2","","","","","","","","4","P 1","P 1","1","","","","- C73 H80 F8 Si2 -","- C73 H80 F8 Si2 -","- C73 H80 F8 Si2 -","1","1","","Balaji Purushothaman; Sean R. Parkin; Mark J. Kendrick; Daniel David; Jeremy W. Ward; Liyang Yu; Natalie Stingelin; Oana D. Jurchescu; Oksana Ostroverkhova; John E. Anthony","Synthesis and charge transport studies of stable, soluble hexacenes","Chem.Commun.","2012","48","","8261","","10.1039/c2cc33919f","","","0.71073","MoKα","","0.1076","0.0635","","","0.1479","0.174","","","","","","1.033","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108181","8.4671","0.0012","8.9149","0.0013","13.1177","0.0019","91.426","0.003","100.286","0.002","102.834","0.002","947.8","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn- 1,6-diol 3-methylcyclohexanone clathrate","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn-1,6-diol 3-methylcyclohexanone clathrate","","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","1","1","","L.R.Nassimbeni; Hong Su; Tanith-Lee Curtin","Enhanced enantioselectivity of 3-methylcyclohexanone by mixed diol host compounds","Chem.Commun.","2012","48","","8526","","10.1039/c2cc34118b","","","0.71073","MoKα","","0.0794","0.0682","","","0.1857","0.198","","","","","","1.046","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108182","8.5231","0.0008","8.7974","0.0009","13.1011","0.0013","91.629","0.002","99.871","0.002","102.048","0.002","944.37","0.16","173","2","173","2","","","","","","","","4","P 1","P 1","1","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn- 1,6-diol 3-methylcyclohexanone clathrate","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn-1,6-diol 3-methylcyclohexanone clathrate","","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","1","1","","L.R.Nassimbeni; Hong Su; Tanith-Lee Curtin","Enhanced enantioselectivity of 3-methylcyclohexanone by mixed diol host compounds","Chem.Commun.","2012","48","","8526","","10.1039/c2cc34118b","","","0.71073","MoKα","","0.0976","0.0791","","","0.2132","0.2326","","","","","","1.02","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108324","11.104","0.002","11.394","0.002","13.717","0.003","102.68","0.03","113.15","0.03","90.01","0.03","1549.6","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H82 N14 O2 Si2 -","- C64 H82 N14 O2 Si2 -","- C64 H82 N14 O2 Si2 -","1","1","","Zu-Li Wang; Liang Zhao; Mei-Xiang Wang","C/aryl-C/alkyl bond formation from Cu(ClO4)2-mediated oxidative cross coupling reaction between arenes and alkyllithium reagents through structurally well-defined Ar-Cu(III) intermediates","Chem.Commun.","2012","48","","9418","","10.1039/c2cc35067j","","","0.71073","MoKα","","0.0503","0.0482","","","0.1114","0.1132","","","","","","1.053","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108391","16.4976","0.0006","17.7965","0.0006","24.6568","0.0009","86.7","0.002","86.475","0.002","65.444","0.002","6567.9","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C204 H182 Cd20 Cl8 N60 O71 -","- C204 H160 Cd20 Cl8 N60 O71 -","- C204 H160 Cd20 Cl8 N60 O71 -","1","1","","Ana M. Garcia-Deibe; Cristina Portela-Garcia; Matilde Fondo; Antonio J. Mota; Jesus Sanmartin-Matalobos","Encapsulation of atmospheric CO2 by a self-assembled decanuclear cadmium complex via unfamiliar perchlorato and carbonato bridges","Chem.Commun.","2012","48","","9915","","10.1039/c2cc35171d","","","0.71073","MoKα","","0.1703","0.0877","","","0.2335","0.2831","","","","","","1.089","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108467","9.3592","0.0014","15.488","0.002","16.108","0.003","78.217","0.002","78.133","0.002","84.16","0.002","2232.5","0.6","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C72 H59 Cd3 N7 O20 -","- C70 H52 Cd3 N6 O20 -","- C70 H52 Cd3 N6 O20 -","1","1","","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","","0.0592","0.0509","","","0.1437","0.1524","","","","","","1.053","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108765","10.401","0.007","11.832","0.006","13.163","0.008","111.045","0.018","100.23","0.02","107.71","0.02","1363.2","1.5","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H36 N2 Ni S2 -","- C32 H36 N2 Ni S2 -","- C64 H72 N4 Ni2 S4 -","2","2","","Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno","Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes","Chem.Commun.","2013","49","","668","","10.1039/c2cc36332a","","","0.71075","MoKα","","0.1288","0.0582","","","0.1398","0.1646","","","","","","1.059","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108841","7.9799","0.0005","8.7756","0.0007","17.288","0.002","87.612","0.01","85.963","0.009","78.796","0.006","1184.15","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C60 H60 N4 O2 -","2","2","","Li, Xuejian; Zhao, Yanyan; Qu, Haijun; Mao, Zhenjun; Lin, Xufeng","Organocatalytic asymmetric multicomponent reactions of aromatic aldehydes and anilines with β-ketoesters: facile and atom-economical access to chiral tetrahydropyridines","Chemical Communications (Cambridge, United Kingdom)","2013","49","14","1401","1403","10.1039/c2cc38349g","","","0.71073","MoKα","","0.1374","0.1109","","","0.2762","0.3099","","","","","","1.115","","","","has coordinates","210831","2020-10-21","18:00:00",""
"7108904","9.8447","0.0007","9.9217","0.0007","10.3511","0.0013","110.058","0.004","97.022","0.004","115.079","0.003","816.53","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","CJ142","","","- C18 H12 Br N O3 -","- C18 H12 Br N O3 -","- C36 H24 Br2 N2 O6 -","2","2","","Carlos Jarava-Barrera; Francisco Esteban; Carmen Navarro-Ranninger; Alejandro Parra; Jose Aleman","Asymmetric synthesis of trans-dihydroarylfurans in a Friedel-Crafts/substitution domino reaction under squaramide catalysis","Chemical communications (Cambridge, England)","2013","49","20","2001","2003","10.1039/c2cc38534a","","","0.71073","","","0.0798","0.0402","","","0.0993","0.1373","","","","","","1.019","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108996","9.2238","0.0004","11.1436","0.0005","11.2447","0.0006","108.516","0.002","111.217","0.002","105.005","0.003","925.82","0.09","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C42 H42 Hf N2 P2 S -","- C42 H42 Hf N2 P2 S -","- C42 H42 Hf N2 P2 S -","1","1","","Michael J. Sgro; Douglas W. Stephan","Activation of CO2 by phosphinoamide hafnium complexes","Chem.Commun.","2013","49","","2610","","10.1039/c3cc38286a","","","0.71073","MoKα","","0.0198","0.0197","","","0.0373","0.0373","","","","","","0.793","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7109256","6.4044","0.0005","9.3965","0.0006","10.5878","0.0007","65.76","0.003","86.256","0.003","84.669","0.003","578.21","0.07","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","1","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.0979","0.0735","","","0.205","0.2271","","","","","","1.029","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109335","8.455","0.005","13.354","0.005","16.134","0.005","110.622","0.005","90.985","0.005","96.49","0.005","1690.8","1.3","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C80 H80 N12 Ni2 -","- C80 H80 N12 Ni2 -","- C80 H80 N12 Ni2 -","1","1","","Ayaka Yamaji; Satoru Hiroto; Ji-Young Shin; Hiroshi Shinokubo","Carbolithiation of meso-aryl-substituted 5,15-diazaporphyrin selectively provides 3-alkylated diazachlorins","Chem.Commun.","2013","49","","5064","","10.1039/c3cc41907j","","","0.71069","MoKα","","0.0579","0.0514","","","0.1369","0.1419","","","","","","1.21","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109583","9.866","0.002","10.472","0.002","16.893","0.003","96.6","0.03","95.35","0.03","113.94","0.03","1565.7","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23.5 H48.5 N7.5 O5 S0.5 -","- C23.5 H48.5 N7.5 O5 S0.5 -","- C47 H97 N15 O10 S -","2","2","","Juliette Fremaux; Christel Dolain; Brice Kauffmann; Jonathan Clayden; Gilles Guichard","Influence of achiral units with gem-dimethyl substituents on the helical character of aliphatic oligourea foldamers","Chem.Commun.","2013","49","","7415","","10.1039/c3cc40961a","","","1.54178","CuKα","","0.1528","0.1196","","","0.3192","0.3634","","","","","","1.113","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109769","6.0329","0.0005","7.7817","0.0007","9.0003","0.0007","115.116","0.008","101.212","0.007","99.162","0.007","361.11","0.06","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C17 H20 N2 O -","1","1","","Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia","Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates","Chem.Commun.","2013","49","","8659","","10.1039/c3cc45167d","","","0.71073","MoKα","","0.0321","0.0307","","","0.075","0.0761","","","","","","1.026","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109953","9.2387","0.0009","11.4941","0.0011","11.8575","0.0011","64.434","0.002","69.34","0.002","84.039","0.002","1061.07","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H25 F3 N2 O3 -","- C23 H25 F3 N2 O3 -","- C46 H50 F6 N4 O6 -","2","2","","Renshi Luo; Jianhua Liao; Ling Xie; Wenjun Tang; Albert S. C. Chan","Asymmetric ring-opening of oxabenzonorbornadiene with amines promoted by a chiral iridium-monophosphine catalyst","Chem.Commun.","2013","49","","9959","","10.1039/c3cc46009f","","","0.71073","MoKα","","0.058","0.047","","","0.1212","0.1317","","","","","","1.022","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109983","8.6119","0.0003","9.9168","0.0003","12.4569","0.0004","70.64","0.002","77.402","0.002","77.618","0.002","967.79","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H19 F3 O5 -","- C21 H19 F3 O5 -","- C42 H38 F6 O10 -","2","2","","Ruben Tejero; Alberto Ponce; Javier Adrio; Juan C. Carretero","Ni-Catalyzed [8+3] cycloaddition of tropones with 1,1-cyclopropanediesters","Chem.Commun.","2013","49","","10406","","10.1039/c3cc45552a","","","1.54178","CuKα","","0.0575","0.0397","","","0.1049","0.116","","","","","","0.999","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7110062","7.509","0.007","9.895","0.006","13.071","0.006","80.4","0.04","77.72","0.05","82.79","0.05","931.6","1.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C42 H42 F2 N4 O6 -","2","2","","Yulong Zhang; Xiaohua Liu; Xiaohu Zhao; Jianlin Zhang; Lin Zhou; Lili Lin; Xiaoming Feng","Enantioselective Friedel-Crafts alkylation for synthesis of 2-substituted indole derivatives","Chem.Commun.","2013","49","","11311","","10.1039/c3cc45665j","","","1.54186","CuKα","","0.1042","0.0901","","","0.1885","0.1976","","","","","","1.111","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110262","8.3519","0.0017","12.047","0.002","15.107","0.003","98.79","0.03","98.78","0.03","99.16","0.03","1458.4","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H60 Ag2 F12 N18 O2 P2 -","- C54 H60 Ag2 F12 N18 O2 P2 -","- C54 H60 Ag2 F12 N18 O2 P2 -","1","1","","Hai-Xia Liu; Xin He; Liang Zhao","Metallamacrocycle-modified gold nanoparticles: a new pathway for surface functionalization","Chem.Commun.","2014","50","","971","","10.1039/c3cc47722c","","","0.71073","MoKα","","0.0745","0.0681","","","0.1587","0.1667","","","","","","1.062","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110350","10.239","0.002","13.283","0.003","15.851","0.003","73.28","0.03","79.44","0.03","80.24","0.03","2014","0.8","100","2","","","","","","","","","","5","P 1","P 1","1","","","","- C72 H93 Cd2 N9 O21 -","- C72 H93 Cd2 N9 O21 -","- C72 H93 Cd2 N9 O21 -","1","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","","","0.7108","Synchrotron","","0.0735","0.0575","","","0.1565","0.1732","","","","","","1.057","","","","has coordinates,has disorder","210842","2020-10-21","18:00:00",""
"7110420","12.576","0.003","16.179","0.003","21.058","0.004","96.86","0.03","95.34","0.03","111","0.03","3928.5","1.7","203","2","200","1","","","","","","","","7","P 1","P 1","1","","","","- C156 H182 Cu4 F24 N16 O3 P4 -","- C156 H182 Cu4 F24 N16 O3 P4 -","- C156 H182 Cu4 F24 N16 O3 P4 -","1","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kulke, Torsten; Baum, Gerhard; Fenske, Dieter","Chiral 1,2-ethanediyl-spaced quaterpyridines give a library of cyclic and double helicates with copper(I)","Chemical Communications","1999","","2","195","","10.1039/a809230c","","","0.71073","MoKα","","0.0655","0.0565","","0.1637","0.152","","","","1.288","1.292","1.292","","","","","has coordinates","288538","2023-12-24","00:34:32",""
"7110749","13.599","0.004","14.369","0.002","15.169","0.003","111.02","0.01","100.02","0.02","99.02","0.02","2646","1.1","291","2","291","2","","","","","","","","5","P 1","P 1","1","sulphonatocalix-4-arene:l-lysine complex","","","- C80 H139 N8 O57.5 S8 -","- C80 H82 N8 O57.5 S8 -","- C80 H82 N8 O57.5 S8 -","1","1","","Selkti, Mohamed; Tomas, Alain; Coleman, Anthony W.; Douteau-Guével, Nathalie; Nicolis, Ioannis; Villain, Françoise; de Rango, Colette","The first example of a substrate spanning the calix[4]arene bilayer: the solid state complex of p-sulfonatocalix[4]arene with l-lysine","Chemical Communications","2000","","2","161","","10.1039/a906546f","","","0.71073","MoKα","","0.1003","0.0863","","","0.2356","0.2553","","","","","","1.047","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110777","8.1781","0.0013","9.9339","0.0017","11.7055","0.0019","76.183","0.019","84.449","0.019","69.386","0.018","864.2","0.3","160","2","160","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H72 P2 Ru -","- C36 H72 P2 Ru -","- C36 H72 P2 Ru -","1","1","","Borowski, Andrzej F.; Donnadieu, Bruno; Daran, Jean-Claude; Sabo-Etienne, Sylviane; Chaudret, Bruno","X-Ray crystal structure of the bis(dihydrogen) complex RuH2(H2)2(PCy3)2","Chemical Communications","2000","","7","543","","10.1039/a908567j","","","0.71073","MoKα","","0.039","0.0308","","","0.076","0.0798","","","","","","1.029","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7110913","10.0645","0.0014","10.9349","0.0013","9.9598","0.0013","108.124","0.009","106.426","0.01","84.967","0.011","999.2","0.2","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C44 H49 B F4 O P Rh -","- C44 H49 B F4 O P Rh -","- C44 H49 B F4 O P Rh -","1","1","","Kataoka, Yasutaka; Iwato, Yoko; Shibahara, Atsushi; Yamagata, Tsuneaki; Tani, Kazuhide","Configurationally stable metal-centered chirality: stereospecific and regioselective rhodaacylation of alkynes controlled by the third generation of the [Cp′-P]H ligand","Chemical Communications","2000","","10","841","","10.1039/b001735n","","","0.71069","MoKα","","0.0416","0.0316","","","0.0826","0.0875","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110921","8.739","0.009","9.404","0.009","6.411","0.008","103.23","0.08","97.33","0.09","111","0.08","465.9","1","150.2","","150.2","","","","","","","","","5","P 1","P 1","1","","","","- C20 H26 F N O2 -","- C20 H26 F N O2 -","- C20 H26 F N O2 -","1","1","","Takahashi, Tamiko; Fukuishima, Aki; Tanaka, Yuki; Takeuchi, Yoshio; Kabuto, Kuninobu; Kabuto, Chizuko","CFTA, a new efficient agent for determination of absolute configurations of chiral secondary alcohols","Chemical Communications","2000","","9","787","","10.1039/b001962n","","","0.7107","MoKα","","0.0615","0.0615","","","0.0623","0.0622","","","","","","2.832","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111196","13.429","0.003","14.377","0.007","19.518","0.002","87.66","0.01","70.85","0.01","85.94","0.01","3550.2","1.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C142 H142 N30 O30 S4 -","- C141 H132.5 N30 O29 S4 -","- C141 H132.5 N30 O29 S4 -","1","1","","Huc, Ivan; Maurizot, Victor; Gornitzka, Heinz; Léger, Jean-Michel","Hydroxy-substituted oligopyridine dicarboxamide helical foldamers","Chemical Communications","2002","","6","578","","10.1039/b111612f","","","1.54178","CuKα","","0.1625","0.118","","","0.313","0.3794","","","","","","0.992","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111410","12.306","0.003","20.59","0.004","21.349","0.004","79.75","0.004","74.872","0.005","85.978","0.005","5137","1.9","125","2","125","2","","","","","","","","5","P 1","P 1","1","calix[4]arene dihydroxyphosphonic acid D-Arginine","","","- C148 H232 N24 O101.7 S16 -","- C148 H119 N24 O101.7 S16 -","- C148 H119 N24 O101.7 S16 -","1","1","","Lazar, Adina; Da Silva, Eric; Navaza, Alda; Barbey, Carole; Coleman, Anthony W.","A new packing motif for para-sulfonatocalix[4]arene: the solid state structure of the para-sulfonatocalix[4]arene d-arginine complex","Chemical Communications","2004","","19","2162","2163","10.1039/b408863h","","","0.71073","MoKα","","0.2224","0.097","","","0.2065","0.2592","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111657","8.9027","0.0004","10.6863","0.0005","10.7459","0.0005","112.024","0.0005","106.985","0.0005","101.511","0.0005","849.52","0.07","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H21 Al2 Bi Cl9 Sb -","- C24 H21 Al2 Bi Cl9 Sb -","- C24 H21 Al2 Bi Cl9 Sb -","1","1","","Conrad, Eamonn; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Bismuthenium-pnictonium dications [R′BiPnR3]2+ (Pn = As, Sb) containing carbenoid bismuth centers and rare Bi‒Sb bonds","Chemical Communications","2010","46","25","4598","4600","10.1039/c0cc00111b","","","0.71073","MoKα","","0.0189","0.0188","","","0.0487","0.0488","","","","","","1.021","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111762","8.4002","0.0001","14.266","0.0002","15.282","0.0003","101.548","0.001","92.22","0.001","101.721","0.001","1750.84","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C78 H78 Cl2 O14 -","- C78 H78 Cl2 O14 -","- C78 H78 Cl2 O14 -","1","1","","Valente, Cory; Choi, Eunwoo; Belowich, Matthew E.; Doonan, Christian J.; Li, Qiaowei; Gasa, Travis B.; Botros, Youssry Y.; Yaghi, Omar M.; Stoddart, J. Fraser","Metal‒organic frameworks with designed chiral recognition sites","Chemical Communications","2010","46","27","4911","4913","10.1039/c0cc00997k","","","1.54178","CuKα","","0.062","0.0599","","","0.1785","0.1838","","","","","","0.891","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111864","10.1384","0.0005","10.2329","0.0005","14.4261","0.0006","87.321","0.002","89.563","0.002","79.123","0.002","1468.14","0.12","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C63 H75 N3 O15 -","- C63 H75 N3 O15 -","- C63 H75 N3 O15 -","1","1","","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","","0.0411","0.0331","","","0.0768","0.0813","","","","","","1.031","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7112013","7.5646","0.001","8.0027","0.0011","12.4858","0.0016","107.363","0.002","94.428","0.002","103.078","0.002","694.13","0.16","273","2","273","2","","","","","","","","5","P 1","P 1","1","C16 H10 N O2 Br","","","- C16 H10 Br N O2 -","- C16 H10 Br N O2 -","- C32 H20 Br2 N2 O4 -","2","2","","Mengru Li; Haiyan Yuan; Baozhong Zhao; Fushun Liang; Jingping Zhang","Alkyne aminohalogenation enabled by DBU-activated N-haloimides: direct synthesis of halogenated enamines","Chem.Commun.","2014","50","","2360","","10.1039/c3cc49572h","","","0.71073","MoKα","","0.0643","0.0485","","","0.1133","0.1262","","","","","","1.026","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112139","10.0817","0.0005","11.6133","0.0005","12.8736","0.0007","87.427","0.002","72.884","0.002","73.85","0.002","1382.54","0.12","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C30 H33 N3 O3 -","- C30 H33 N3 O3 -","- C60 H66 N6 O6 -","2","2","","Thomas Hjelmgaard; Olivier Roy; Lionel Nauton; Malika El-Ghozzi; Daniel Avignant; Claude Didierjean; Claude Taillefumier; Sophie Faure","Macrocyclic arylopeptoids ‒ a novel type of cyclic N-alkylated aromatic oligoamides forming nanotubular assemblies","Chem.Commun.","2014","50","","3564","","10.1039/C4CC00821A","","","0.71073","MoKα","","0.0756","0.0576","","0.0832","0.0629","0.0629","","","","","","1.1046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112165","12.0384","0.0004","13.2068","0.0006","14.0473","0.0006","111.55","0.004","102.22","0.003","102.211","0.004","1924.65","0.17","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H40 Br4 N4 O3 S Zn -","- C38 H40 Br4 N4 O3 S Zn -","- C76 H80 Br8 N8 O6 S2 Zn2 -","2","2","","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","","0.0417","0.0307","","","0.0471","0.0485","","","","","","0.902","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112216","7.1797","0.0006","9.6308","0.001","11.5304","0.0012","103.804","0.003","93.978","0.003","95.999","0.005","766.34","0.13","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","2","","Shaohua Xiang; Jingxi He; Jimei Ma; Xue-Wei Liu","One-pot synthesis of beta-N-glycosyl imidazole analogues via a palladium-catalysed decarboxylative allylation","Chem.Commun.","2014","50","","4222","","10.1039/C3CC48041K","","","0.71073","MoKα","","0.0552","0.0434","","","0.1017","0.1221","","","","","","1.06","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112247","10.5097","0.001","13.3588","0.0014","16.9068","0.0017","87.901","0.004","89.867","0.004","82.976","0.004","2354.3","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","Binaph-P2-NMe2 (3)","(1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(dimethylamino)phosphazenyl]bis(dimethylamino)phosphoranylidene)","","- C40 H72 N14 P4 -","- C40 H72 N14 P4 -","- C80 H144 N28 P8 -","2","2","","Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer","Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex","Chem.Commun.","2014","50","","4319","","10.1039/C4CC00773E","","","0.71069","MoKα","","0.0801","0.0667","","","0.1647","0.1754","","","","","","1.08","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112386","11.0646","0.0009","15.0722","0.0011","17.004","0.0012","95.111","0.004","104.941","0.004","94.393","0.004","2714.3","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","Compound 4b","","","- C146 H94 Ag2 B2 Cl2 F8 N4 O16 -","- C146 H94 Ag2 B2 Cl2 F8 N4 O16 -","- C146 H94 Ag2 B2 Cl2 F8 N4 O16 -","1","1","","Peng, Ping; Li, Fang-Fang; Bowles, Faye L.; Neti, Venkata S Pavan K; J Metta-Magana, Alejandro; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis","High yield synthesis of a new fullerene linker and its use in the formation of a linear coordination polymer by silver complexation.","Chemical communications (Cambridge, England)","2013","49","31","3209","3211","10.1039/c3cc40697k","","","0.7749","synchrotron","","0.0553","0.0512","","","0.1374","0.1421","","","","","","1.027","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7112526","7.9008","0.0002","8.0121","0.0002","11.8061","0.0003","83.617","0.001","77.774","0.002","88.744","0.002","725.87","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H17 N O6 S -","- C14 H17 N O6 S -","- C28 H34 N2 O12 S2 -","2","2","","Wheeler, Kraig A.; Malehorn, Steven H.; Egan, Annie E.","Valine sulfonamidecinnamic acid asymmetric crystal reactions.","Chemical communications (Cambridge, England)","2012","48","4","519","521","10.1039/c1cc15068e","","","1.54178","CuKα","","0.0475","0.0423","","","0.1077","0.1108","","","","","","1.082","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112527","7.8647","0.0003","8.0522","0.0003","11.793","0.0005","83.951","0.002","77.725","0.002","89.754","0.002","725.57","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 N2 O12 S2 -","- C28 H34 N2 O12 S2 -","- C28 H34 N2 O12 S2 -","1","1","","Wheeler, Kraig A.; Malehorn, Steven H.; Egan, Annie E.","Valine sulfonamidecinnamic acid asymmetric crystal reactions.","Chemical communications (Cambridge, England)","2012","48","4","519","521","10.1039/c1cc15068e","","","1.54178","CuKα","","0.0555","0.0499","","","0.125","0.1292","","","","","","1.046","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112561","9.5449","0.0006","9.8534","0.0005","11.6027","0.0006","81.047","0.005","74.192","0.005","61.176","0.006","919.49","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H28 K N O2 -","- C18 H28 K N O2 -","- C36 H56 K2 N2 O4 -","2","2","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.0853","0.0432","","","0.0613","0.0645","","","","","","1.004","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112697","12.3933","0.0006","13.4814","0.0006","14.5801","0.0007","93.651","0.002","114.647","0.002","114.067","0.002","1939.77","0.17","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C69 H112 Fe Li2 O2 Si8 -","- C69 H112 Fe Li2 O2 Si8 -","- C69 H112 Fe Li2 O2 Si8 -","1","1","","Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.","Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.","Chemical communications (Cambridge, England)","2011","47","42","11680","11682","10.1039/c1cc14758g","","","0.71073","MoKα","","0.0451","0.0449","","","0.1217","0.1219","","","","","","1.094","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112828","6.373","0.005","6.623","0.009","10.22","0.008","88.89","0.07","72.96","0.06","75.9","0.05","399.4","0.7","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C12 H18 F6 O6 -","2","2","","Bresciani, Stefano; Lebl, Tomas; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorosugars: synthesis of the 2,3,4-trideoxy-2,3,4-trifluoro hexose analogues of D-glucose and D-altrose and assessment of their erythrocyte transmembrane transport.","Chemical communications (Cambridge, England)","2010","46","30","5434","5436","10.1039/c0cc01128b","","","0.71073","MoKα","","0.0345","0.0345","","","0.0982","0.0983","","","","","","1.157","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112840","13.792","0.004","14.275","0.005","16.271","0.004","76.327","0.007","66.351","0.007","65.941","0.005","2669.3","1.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H90 B2 Li4 N6 P2 -","- C46 H90 B2 Li4 N6 P2 -","- C92 H180 B4 Li8 N12 P4 -","2","2","","Gessner, Viktoria H.; Dilsky, Stefan; Strohmann, Carsten","Unexpected direct dilithiation of a prochiral phosphine borane.","Chemical communications (Cambridge, England)","2010","46","26","4719","4721","10.1039/c0cc00130a","","","0.71073","MoKα","","0.0794","0.0603","","","0.1407","0.1555","","","","","","1.035","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112953","11.19","0.002","11.396","0.002","14.071","0.003","108.8","0.03","96.93","0.03","107.54","0.03","1571.8","0.8","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C35.5 H39 Cl O7 -","- C35.5 H39 Cl O7 -","- C71 H78 Cl2 O14 -","2","2","","Gopalsamuthiram, Vijay; Huang, Rui; Wulff, William D.","The synthesis of optically active calix[4]arenes with one or three substituents on the methylene bridges.","Chemical communications (Cambridge, England)","2010","46","43","8213","8215","10.1039/c0cc02689a","","","0.71073","MoKα","","0.1196","0.0547","","","0.1271","0.1525","","","","","","0.724","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112995","9.388","0.016","9.44","0.02","9.484","0.017","88.28","0.09","81.19","0.05","89.14","0.09","830","3","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","2","","Zi, Guofu; Zhang, Furen; Song, Haibin","Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands.","Chemical communications (Cambridge, England)","2010","46","34","6296","6298","10.1039/c0cc01265c","","","1.54178","CuKα","","0.0457","0.042","","","0.1115","0.128","","","","","","1.123","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7113065","12.9236","0.0006","13.2332","0.0006","25.9506","0.0013","88.192","0.002","79.845","0.003","62.372","0.002","3864","0.3","180","","180","","","","","","","","","6","P 1","P 1","1","","","","- C82 H66 Mo N8 P3 S6 -","- C82 H66 Mo N8 P3 S6 -","- C164 H132 Mo2 N16 P6 S12 -","2","2","","Mousavi, Maliheh; Béreau, Virgine; Desplanches, Cédric; Duhayon, Carine; Sutter, Jean-Pascal","Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n.","Chemical communications (Cambridge, England)","2010","46","40","7519","7521","10.1039/c0cc02498h","","","0.71073","MoKα","","0.0342","0.029","","0.0369","0.0297","0.0289","","","","","","1.0867","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7113092","7.716","0.002","8.12","0.002","13.719","0.003","74.91","0.03","87.69","0.03","89.83","0.03","829.2","0.4","123","2","123","2","","","","","","","","7","P 1","P 1","1","BW203W92 S-enantiomer","","","- C12 H12 Cl3 F N4 O3 S -","- C12 H12 Cl3 F N4 O3 S -","- C24 H24 Cl6 F2 N8 O6 S2 -","2","2","","Palmer, Rex A.; Potter, Brian S.; Leach, Michael J.; Jenkins, Terence C.; Chowdhry, Babur Z.","An absolute structure template for a unique voltage-gated sodium channel binding site","MedChemComm","2010","1","1","45","","10.1039/c0md00043d","","","0.71073","MoKα","","0.1245","0.0611","","","0.1197","0.1461","","","","","","0.936","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113406","13.9644","0.0007","14.402","0.0008","15.3266","0.0008","64.046","0.001","68.612","0.001","72.159","0.001","2540.7","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C107 H102 Cl2 N4 Na4 O13 P8 -","- C107.003 H102 Cl2.003 N4 Na4 O13 P8 -","- C107.003 H102 Cl2.003 N4 Na4 O13 P8 -","1","1","","Román-Bravo, Perla; López-Cardoso, Marcela; y García, Patricia García; Höpfl, Herbert; Cea-Olivares, Raymundo","Template-assisted self assembly of two lipophilic polyion aggregates derived from sodium tetraphenyl imidodiphosphinate-complexes containing sodium ions in four different coordination environments.","Chemical communications (Cambridge, England)","2004","","17","1940","1941","10.1039/b406817c","","","0.71073","MoKα","","0.0661","0.0627","","","0.1614","0.1648","","","","","","0.993","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113418","9.6774","0.0013","10.7714","0.0014","10.8244","0.0014","83.284","0.006","82.174","0.006","82.924","0.006","1103.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H34 B F24 N3 -","- C41 H34 B F24 N3 -","- C41 H34 B F24 N3 -","1","1","","Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid","Unexpected neutral aza-macrocycle complexes of sodium","Chem.Commun.","2014","50","","5843","","10.1039/C4CC01407C","","","0.71073","MoKα","","0.0637","0.051","","","0.1045","0.1115","","","","","","1.031","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113578","18.0187","0.0003","15.3431","0.0004","15.414","0.0003","103.464","0.001","113.122","0.001","99.254","0.001","3656.65","0.14","173","2","173","2","","","","","","","","3","P 1","P 1","1","bis(Beta-cyclodextrin) bis(4-hydroxybenzoic acid methyl ester) clathrate hydrate (triclinic form)","bis(Beta-cyclodextrin) bis(4-hydroxybenzoic acid methyl ester) clathrate hydrate (triclinic form)","","- C100 H212 O104 -","- C100 H150 O101.8 -","- C100 H150 O101.8 -","1","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","","0.1017","0.0937","","","0.2582","0.2673","","","","","","1.068","","","","has coordinates,has disorder","180249","2020-10-21","18:00:00",""
"7113668","8.0705","0.0016","8.4239","0.0017","8.6894","0.0017","77.92","0.03","64.47","0.03","79.29","0.03","518.2","0.2","153","2","153","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H32 N4 -","- C23 H32 N4 -","- C23 H32 N4 -","1","1","","Filipponi, Silvia; Jones, Jamie N.; Johnson, Jennifer A.; Cowley, Alan H.; Grepioni, Fabrizia; Braga, Dario","Isolation of C?H?C(?) complexes from the reaction of stable carbenes with hydrocarbons","Chemical Communications","2003","","21","2716","","10.1039/b309168f","","","0.71073","MoKα","","0.0886","0.0584","","","0.1273","0.1434","","","","","","1.048","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7113980","8.0981","0.0004","8.818","0.0007","10.4495","0.0007","103.797","0.006","101.344","0.005","91.264","0.005","708.64","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 Cl N2 O2 -","- C13 H17 Cl N2 O2 -","- C26 H34 Cl2 N4 O4 -","2","2","","Jun Li; Yuting Liao; Yulong Zhang; Xiaohua Liu; Lili Lin; Xiaoming Feng","Chiral magnesium(II)-catalyzed asymmetric ring-opening of meso-aziridines with primary alcohols","Chem.Commun.","2014","50","","6672","","10.1039/C4CC02206H","","","0.71073","MoKα","","0.1201","0.0623","","","0.1524","0.194","","","","","","1.022","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7114218","10.841","0.003","12.86","0.003","13.625","0.003","100.916","0.003","96.331","0.003","104.576","0.003","1780","0.8","173.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C37 H33 Cl5 N O P Pd -","- C37 H33 Cl5 N O P Pd -","- C74 H66 Cl10 N2 O2 P2 Pd2 -","2","2","","Nakano, Hiroto; Okuyama, Yuko; Suzuki, Yuichiro; Fujita, Reiko; Kabuto, Chizuko","A novel and efficient chiral palladium‒phosphinooxazolidine catalyst for the enantioselective Diels‒Alder reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b201625g/","Chemical Communications","2002","","10","1146","","10.1039/b201625g","","","0.7107","MoKα","","","0.0307","","","","0.0334","","","","","","0.92","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7114515","14.586","0.0011","15.9383","0.0012","20.4614","0.0015","79.171","0.001","74.183","0.001","82.219","0.001","4477.3","0.6","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C181 H172 Cd6 N26 O45 -","- C181 H163 Cd6 N26 O45 -","- C181 H163 Cd6 N26 O45 -","1","1","","Biradha, Kumar; Fujita, Makoto","A ???three-in-one??? crystal of coordination networksElectronic supplementary information (ESI) available: ORTEP drawings for 2, 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b203025j/","Chemical Communications","2002","","17","1866","","10.1039/b203025j","","","0.71073","MoKα","","0.0433","0.034","","","0.0776","0.0829","","","","","","0.95","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114516","14.5829","0.0011","15.6484","0.0011","20.3931","0.0015","78.869","0.001","75.705","0.001","83.175","0.001","4412.3","0.6","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C179 H170 Cd6 N26 O46 -","- C179 H159 Cd6 N26 O46 -","- C179 H159 Cd6 N26 O46 -","1","1","","Biradha, Kumar; Fujita, Makoto","A ???three-in-one??? crystal of coordination networksElectronic supplementary information (ESI) available: ORTEP drawings for 2, 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b203025j/","Chemical Communications","2002","","17","1866","","10.1039/b203025j","","","0.71073","MoKα","","0.0499","0.0445","","","0.1163","0.1215","","","","","","1.018","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114517","14.692","0.002","15.522","0.002","20.387","0.003","79.36","0.003","74.95","0.003","83.088","0.004","4399.7","1.1","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C179 H170 Cd6 N26 O46 -","- C179 H159 Cd6 N26 O46 -","- C179 H159 Cd6 N26 O46 -","1","1","","Biradha, Kumar; Fujita, Makoto","A ???three-in-one??? crystal of coordination networksElectronic supplementary information (ESI) available: ORTEP drawings for 2, 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b203025j/","Chemical Communications","2002","","17","1866","","10.1039/b203025j","","","0.71073","MoKα","","0.1946","0.0682","","","0.1218","0.1559","","","","","","0.846","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114779","9.7472","0.0019","9.5883","0.0019","15.104","0.003","83.85","0.03","73.8","0.03","62.91","0.03","1206.5","0.6","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H50 Ag2 F6 N2 O6 P2 -","- C48 H50 Ag2 F6 N2 O6 P2 -","- C48 H50 Ag2 F6 N2 O6 P2 -","1","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Ring, polymer and network structures in silver(i) complexes with dipyridyl and diphosphine ligands","Chemical Communications","2001","","16","1508","","10.1039/b104857k","","","0.71073","MoKα","","0.0795","0.0604","","","0.141","0.1568","","","","","","1.053","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00",""
"7114788","12.2214","0.0009","13.0213","0.001","15.5397","0.0013","85.007","0.009","79.818","0.009","76.218","0.009","2361.3","0.3","200","","","","","","","","","","","6","P 1","P 1","1","","Δ{tris[5,5'-di(N-S-valinatomethyl)2,2'-bipyridyl]dichloro iron(II)} chloride tetra-perchlorate hydrate","","- C66 H123 Cl7 Fe N12 O42 -","- C66 H95 Cl7 Fe N12 O42 -","- C66 H95 Cl7 Fe N12 O42 -","1","1","","Telfer, Shane G.; Williams, Alan F.; Bernardinelli, Gérald","Diastereospecific synthesis of amino-acid substituted 2,2'-bipyridyl complexes","Chemical Communications","2001","","16","1498","","10.1039/b104520m","","","0.71073","MoKα","","","0.039","","","","0.04","","","","","","1.636","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114886","11.0329","0.0001","11.8242","0.0002","15.3874","0.0002","72.298","0.001","81.444","0.001","84.862","0.001","1888.94","0.05","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C59 H66 Cu6 I3 Mo2 N11 O4 S6 -","- C59.42 H60.42 Cu6 I3 Mo2 N11 O4 S6 -","- C59.42 H60.42 Cu6 I3 Mo2 N11 O4 S6 -","1","1","","Zhang, Qian-Feng; Niu, Yunying; Xin, Xinquan; Leung, Wa-Hung; Williams, Ian D.; Song, Yinglin","Synthesis of a 2D polymeric cluster {[NEt4][Mo2O2S6Cu6I3(4,4′-bipy)5]·MeOH·H2O}n with a significant improvement of optical limiting effect","Chemical Communications","2001","","12","1126","","10.1039/b101929p","","","0.71073","MoKα","","0.1031","0.0646","","","0.1571","0.173","","","","","","0.937","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114938","9.0282","0.0002","9.7091","0.0002","10.3036","0.0002","114.304","0.001","97.646","0.001","99.554","0.001","791.07","0.03","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H42 B N O -","- C39 H42 B N O -","- C39 H42 B N O -","1","1","","Graham, Mark A.; Thornton-Pett, Mark; Rayner, Christopher M.; Wadsworth, Alan H.","Tandem cationic cyclisation‒aziridinium ion formation‒nucleophilic ring opening: new methodology for the stereocontrolled synthesis of substituted pyrrolidines","Chemical Communications","2001","","11","966","","10.1039/b102124i","","","0.71073","MoKα","","0.0453","0.0417","","","0.1014","0.1043","","","","","","1.052","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7115047","12.1861","0.0012","13.412","0.0012","14.5875","0.0014","106.156","0.001","99.76","0.002","104.451","0.001","2143.1","0.4","160","2","160","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H120 Li10 N6 O17 -","- C72 H104 Li10 N6 O15 -","- C72 H104 Li10 N6 O15 -","1","1","","Liddle, Stephen T.; Clegg, William","Synthesis and structure of the novel mixed anion‒dianion lithium cage compound [(6-LiCH2Py-2-OLi)4(6-CH3Py-2-OLi)2(THF)9]","Chemical Communications","2001","","17","1584","","10.1039/b104680m","","","0.71073","MoKα","","0.1088","0.093","","","0.2017","0.2103","","","","","","1.132","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115053","14.1554","0.0017","14.795","0.003","16.406","0.003","84.311","0.014","77.063","0.01","65.296","0.01","3042.1","0.9","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C61.5 H73.5 Cl4.5 N4 O8 Zn -","- C61.5 H73.5 Cl4.5 N4 O8 Zn -","- C123 H147 Cl9 N8 O16 Zn2 -","2","2","","Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude","Nickel porphyrin nanotweezers","Chemical Communications","2001","","17","1644","","10.1039/b104715a","","","0.71073","MoKα","","0.0724","0.0565","","","0.1425","0.1518","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115259","7.1","0.001","12.17","0.002","19.907","0.005","106.09","0.02","90.72","0.02","93.4","0.02","1649.1","0.6","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H40 Ag F6 N4 O2 P -","- C31 H40 Ag F6 N4 O2 P -","- C62 H80 Ag2 F12 N8 O4 P2 -","2","2","","Constable, Edwin C.; Housecroft, Dieter Fenske Catherine E.; Kulke, Torsten","Solvent control in the formation of mononuclear and dinuclear double-helical silver(I)-2,2′:6′,2″-terpyridine complexes","Chemical Communications","1998","","23","2659","","10.1039/a807254j","","","0.71073","MoKα","","0.0282","0.0264","","","0.0696","0.0716","","","","","","1.035","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115261","6.0562","0.0005","8.3474","0.0007","14.3363","0.0012","80.2127","0.0011","88.9452","0.0011","84.4944","0.0011","710.91","0.1","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H12 N4 O7 S -","- C11 H12 N4 O7 S -","- C22 H24 N8 O14 S2 -","2","2","","Li, Jing; Lowary, Todd L.","Sulfonium ions as inhibitors of the mycobacterial galactofuranosyltransferase GlfT2","MedChemComm","2014","5","8","1130","","10.1039/C4MD00067F","","","0.71073","MoKα","","0.0338","0.0322","","","0.0839","0.0853","","","","","","1.041","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115305","10.1668","0.0004","11.5055","0.0004","20.4107","0.0008","87","0.002","75.864","0.002","65.519","0.002","2103.85","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C35.5 H56.5 Cl1.5 N6 O9 -","- C35.5 H56.5 Cl1.5 N6 O9 -","- C71 H113 Cl3 N12 O18 -","2","2","","Bryden A. F.; Le Bailly; Jonathan Clayden","Controlling the sign and magnitude of screw-sense preference from the C-terminus of an achiral helical foldamer","Chem.Commun.","2014","50","","7949","","10.1039/C4CC03261F","","","1.54178","CuKα","","0.0484","0.0454","","","0.1163","0.1194","","","","","","1.031","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7115321","5.207","0.003","8.066","0.005","30.666","0.019","84.437","0.005","89.103","0.005","86.149","0.005","1278.9","1.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H80 Br N4 O15 Pd S2 -","- C38 H78 Br N4 O15 Pd S2 -","- C38 H78 Br N4 O15 Pd S2 -","1","1","","Shohei Kumagai; Shinya Takaishi; Brian K. Breedlove; Hiroshi Okamoto; Hisaaki Tanaka; Shin-ichi Kuroda; Masahiro Yamashita","Bromide-bridged palladium(III) chain complexes showing charge bistability near room temperature","Chem.Commun.","2014","50","","8382","","10.1039/C4cc02547D","","","0.71073","MoKα","","0.056","0.0498","","","0.1233","0.1269","","","","","","0.999","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115368","8.5557","0.0002","14.0932","0.0005","16.307","0.0004","77.134","0.003","81.935","0.002","80.958","0.002","1881.71","0.1","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H31 N3 O4 -","- C16 H31 N3 O4 -","- C64 H124 N12 O16 -","4","4","","Nicola H. Powell; Guy J. Clarkson; Rebecca Notman; Piotr Raubo; Nathaniel G. Martin; Michael Shipman","Synthesis and structure of oxetane containing tripeptide motifs","Chem.Commun.","2014","50","","8797","","10.1039/C4cc03507K","","x-ray","1.54184","CuKα","","0.0697","0.0644","","","0.176","0.1836","","","","","","1.086","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115369","8.4127","0.0004","9.5002","0.0005","13.3202","0.0008","96.096","0.005","104.312","0.005","90.121","0.004","1025.26","0.1","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C19.1 H29.4 N3 O4.1 -","- C19.1 H29 N3 O4.1 -","- C38.2 H58 N6 O8.2 -","2","2","","Nicola H. Powell; Guy J. Clarkson; Rebecca Notman; Piotr Raubo; Nathaniel G. Martin; Michael Shipman","Synthesis and structure of oxetane containing tripeptide motifs","Chem.Commun.","2014","50","","8797","","10.1039/C4cc03507K","","x-ray","1.54184","CuKα","","0.0616","0.0506","","","0.1283","0.1426","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115450","5.6907","0.0011","7.4227","0.0014","9.3653","0.0018","108.137","0.003","100.781","0.003","90.415","0.003","368.39","0.12","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H12 Br F N2 O4 -","- C15 H12 Br F N2 O4 -","- C15 H12 Br F N2 O4 -","1","1","","Jacek Kwiatkowski; Yixin Lu","Asymmetric Michael addition of alpha-fluoro-alpha-nitroalkanes to nitroolefins: facile preparation of fluorinated amines and tetrahydropyrimidines","Chem.Commun.","2014","50","","9313","","10.1039/C4cc03513E","","","0.71073","MoKα","","0.0379","0.0379","","","0.0946","0.0947","","","","","","1.046","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115490","5.0916","0.0007","9.9171","0.0013","10.6705","0.0015","81.115","0.004","77.646","0.005","87.407","0.004","519.96","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C19 H25 N O8 -","1","1","","Minghao Feng; Xuefeng Jiang","Stereoselective construction of a key hydroindole precursor of epidithiodiketopiperazine (ETP) natural products","Chem.Commun.","2014","50","","9690","","10.1039/C4cc04148H","","","0.71073","MoKα","","0.0864","0.0763","","","0.2046","0.2202","","","","","","1.038","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115703","7.1457","0.0007","9.8623","0.0011","11.5311","0.0011","96.212","0.001","94.459","0.001","97.061","0.001","798.31","0.14","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C H Br N O S -","- C5.14286 Br0.285714 N0.285714 O0.857143 S0.285714 -","- C36 Br2 N2 O6 S2 -","7","7","","Xianyu Meng; Peiqiu Liao; Jianquan Liu; Xihe Bi","Silver-catalyzed cyclization of 2-pyridyl alkynyl carbinols with isocyanides: divergent synthesis of indolizines and pyrroles","Chem.Commun.","2014","50","","11837","","10.1039/C4cc04905E","","","0.71073","MoKα","","0.1034","0.094","","","0.2639","0.2771","","","","","","2.178","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115860","8.181","0.002","9.952","0.003","10.163","0.003","79.296","0.006","68.813","0.005","65.825","0.005","703.2","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","none","(+)-(2R,3R)-1,1,4,4-tetraphenylbutane-1,2,3,4-tetraol/ 4-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C35 H38 O5 -","1","1","","B. Barton; M. R. Caira; E. C. Hosten; C. W. McCleland; S. Weitz","Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations","Chem.Commun.","2014","50","","13353","","10.1039/C4cc06826B","","","0.71073","MoKα","","0.0791","0.0515","","","0.1269","0.1338","","","","","","0.945","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115895","7.9715","0.0003","13.0562","0.0004","14.16","0.0005","63.162","0.005","89.461","0.007","77.05","0.006","1274.39","0.11","200","","200","","","","","","","","","8","P 1","P 1","1","","","","- C21 H25 F6 N3 O6.5 P Pt S -","- C21 H22 F6 N3 O6.5 P Pt S -","- C42 H44 F12 N6 O13 P2 Pt2 S2 -","2","2","","Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno","Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose","Chem.Commun.","2014","50","","13529","","10.1039/C4cc06775D","","","0.71075","MoKα","","","0.0748","","","","0.1827","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115914","8.0288","0.0016","9.2244","0.0019","11.46","0.003","103.126","0.005","98.144","0.007","98.902","0.005","802.7","0.3","100","","100","","","","","","","","","4","P 1","P 1","1","2013_06_26","","","- C20 H18 O2 S -","- C20 H18 O2 S -","- C40 H36 O4 S2 -","2","2","","Bjarke S. Donslund; Kim Soholm Halskov; Lars A. Leth; Bruno Matos Paz; Karl Anker Jorgensen","Organocatalytic asymmetric strategies to carbocyclic structures by gamma-alkylation-annulation sequences","Chem.Commun.","2014","50","","13676","","10.1039/C4cc06556E","","","0.56086","MoKα","","0.0798","0.0563","","","0.1228","0.1354","","","","","","1.057","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116268","13.0001","0.0004","13.4282","0.0004","14.1449","0.0005","102.57","0.003","115.154","0.003","91.67","0.003","2160.73","0.14","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C76 H60 B2 F48 P4 Zn -","- C76 H60 B2 F48 P4 Zn -","- C76 H60 B2 F48 P4 Zn -","1","1","","Banh, Hung; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","A solvated zinc analogue of the calomel-dication.","Chemical communications (Cambridge, England)","2015","51","11","2170","2172","10.1039/c4cc08850f","","","1.54184","CuKα","","0.0509","0.049","","","0.1292","0.1309","","","","","","1.023","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116315","13.469","0.005","16.818","0.005","19.323","0.005","105.183","0.005","100.695","0.005","100.481","0.005","4026","2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C89 H116 Cl3 N11 Zn2 -","- C89 H116 Cl3 N11 Zn2 -","- C178 H232 Cl6 N22 Zn4 -","2","2","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Step-wise induction, amplification and inversion of molecular chirality through the coordination of chiral diamines with Zn(II) bisporphyrin","Chem.Commun.","2015","51","","895","","10.1039/C4cc07955H","","","0.71069","MoKα","","0.1205","0.0587","","","0.0992","0.1176","","","","","","0.955","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116401","19.6065","0.0009","19.7357","0.0008","20.2252","0.0009","116.621","0.0011","115.561","0.0012","94.4565","0.0013","5944.6","0.5","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C211.17 H272.75 Cl8 Fe4 N47.58 O47 -","- C211.17 H272.755 Cl8 Fe4 N47.585 O47 -","- C211.17 H272.755 Cl8 Fe4 N47.585 O47 -","1","1","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.1278","0.0832","","","0.2055","0.2337","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116402","19.7723","0.0013","19.7731","0.0014","20.282","0.002","115.476","0.002","116.397","0.002","94.961","0.001","6022.1","0.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C192 H234 Cl8 Fe4 N42 O44 -","- C192 H234 Cl8 Fe4 N42 O44 -","- C192 H234 Cl8 Fe4 N42 O44 -","1","1","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.1315","0.0758","","","0.1914","0.2181","","","","","","0.963","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116520","15.316","0.002","16.319","0.002","19.612","0.002","66.028","0.002","77.507","0.002","74.353","0.005","4281.2","0.9","190","2","190","2","","","","","","","","6","P 1","P 1","1","","","","- C78 H88 Cl N O15 P4 -","- C78 H84 Cl N O15 P4 -","- C156 H168 Cl2 N2 O30 P8 -","2","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.2142","0.121","","","0.3039","0.3714","","","","","","1.056","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116643","7.3418","0.0002","15.788","0.0005","31.0079","0.0008","83.135","0.002","87.475","0.002","89.797","0.002","3564.96","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","BN-Coronene","","- C42 H36 B3 N3 O6 -","- C42 H36 B3 N3 O6 -","- C168 H144 B12 N12 O24 -","4","4","","Xiao-Ye Wang; Fang-Dong Zhuang; Xin-Chang Wang; Xiao-Yu Cao; Jie-Yu Wang; Jian Pei","Synthesis, structure and properties of C3-symmetric heterosuperbenzene with three BN units","Chem.Commun.","2015","51","","4368","","10.1039/C4cc10105G","","x-ray","1.54184","CuKα","","0.074","0.0636","","","0.1801","0.1871","","","","","","1.106","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7117125","6.1461","0.0011","7.3648","0.0013","14.031","0.003","76.834","0.004","82.082","0.004","72.763","0.004","588.95","0.19","100","","100","","","","","","","","","4","P 1","P 1","1","","1N-Methyl Nornorrole","","- C31 H10 F10 N4 -","- C31 H10 F10 N4 -","- C31 H10 F10 N4 -","1","1","","Santosh C. Gadekar; Baddigam Kiran Reddy; Venkataramanarao G. Anand","Metal assisted cyclodimerization of doubly N-confused dipyrrins into planar aza-heptalenes","Chem.Commun.","2015","51","","8342","","10.1039/C5cc01367D","","","0.71073","MoKα","","0.0927","0.0484","","","0.1298","0.1616","","","","","","0.963","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117203","13.2494","0.0004","14.7378","0.0006","14.8892","0.0006","119.221","0.004","103.752","0.003","96.589","0.003","2371.5","0.2","100","1","100","1","","","","","","","","7","P 1","P 1","1","","","","- C69 H158 Br Cr Mo6 N8 O29 -","- C68.498 H156.494 Br Cr Mo6 N8 O29 -","- C68.498 H156.494 Br Cr Mo6 N8 O29 -","1","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.7107","MoKα","","0.0349","0.0306","","","0.0671","0.0702","","","","","","1.063","","","","has coordinates,has disorder","137157","2020-10-21","18:00:00",""
"7117205","13.2671","0.0005","14.756","0.0006","14.887","0.0004","119.33","0.004","103.729","0.003","96.883","0.003","2370.4","0.2","109","6","109","6","","","","","","","","7","P 1","P 1","1","","","","- C67 H155 Br Mn Mo6 N9 O29 -","- C67 H154 Br Mn Mo6 N9 O29 -","- C67 H154 Br Mn Mo6 N9 O29 -","1","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.71073","MoKα","","0.0335","0.0296","","","0.0579","0.0601","","","","","","1.025","","","","has coordinates,has disorder","137157","2020-10-21","18:00:00",""
"7117315","9.6495","0.0001","11.9679","0.0002","12.5126","0.0002","78.879","0.001","85.44","0.001","79.309","0.001","1391.83","0.04","293","2","293","2","","","","","","","","6","P 1","P 1","1","CuTbValchxnN3_1-RR","","","- C46 H56 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","1","1","","Xing-Cai Huang; Veacheslav Vieru; Liviu F. Chibotaru; Wolfgang Wernsdorfer; Shang-Da Jiang; Xin-Yi Wang","Determination of magnetic anisotropy in a multinuclear Tb^III^-based single-molecule magnet","Chem.Commun.","2015","51","","10373","","10.1039/C5cc03089G","","","0.71073","MoKα","","0.0261","0.0242","","","0.0641","0.0659","","","","","","1.014","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117316","9.6455","0.0002","11.9723","0.0003","12.5139","0.0003","78.864","0.001","85.397","0.001","79.256","0.001","1391.56","0.06","293","2","293","2","","","","","","","","6","P 1","P 1","1","CuTbValchxnN3_1-SS","","","- C46 H56 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","1","1","","Xing-Cai Huang; Veacheslav Vieru; Liviu F. Chibotaru; Wolfgang Wernsdorfer; Shang-Da Jiang; Xin-Yi Wang","Determination of magnetic anisotropy in a multinuclear Tb^III^-based single-molecule magnet","Chem.Commun.","2015","51","","10373","","10.1039/C5cc03089G","","","0.71073","MoKα","","0.0313","0.029","","","0.0773","0.0793","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117458","31.1904","0.0016","31.2132","0.0014","51.976","0.003","72.71","0.004","77.555","0.003","60.912","0.003","42068","4","100","2","100","2","","","","","","","","3","P 1","P 1","1","","1,3,5-tris(4-carboxyphenyl)benzene","","- C27 H18 O6 -","- C27 H18 O6 -","- C1512 H1008 O336 -","56","56","","Zentner, Cassandra A.; Lai, Holden W. H.; Greenfield, Joshua T.; Wiscons, Ren A.; Zeller, Matthias; Campana, Charles F.; Talu, Orhan; FitzGerald, Stephen A.; Rowsell, Jesse L. C.","High surface area and Z' in a thermally stable 8-fold polycatenated hydrogen-bonded framework.","Chemical communications (Cambridge, England)","2015","51","58","11642","11645","10.1039/c5cc04219d","","","1.54178","CuKα","","0.1237","0.0694","","","0.1612","0.1766","","","","","","0.893","","","","has coordinates,has disorder","141484","2020-10-21","18:00:00",""
"7117561","11.219","0.005","11.5","0.006","14.861","0.008","72.7","0.03","89.67","0.03","77.32","0.03","1782.3","1.6","103","2","103.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H16 F3 N -","- C24 H16 F3 N -","- C96 H64 F12 N4 -","4","4","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.1971","0.0777","","","0.1461","0.2023","","","","","","0.952","","","","has coordinates,has disorder","152966","2020-10-21","18:00:00",""
"7117622","13.8032","0.0006","14.0849","0.0006","14.8146","0.0006","89.715","0.003","77.329","0.003","77.339","0.003","2738.9","0.2","130","","130","","","","","","","","","4","P 1","P 1","1","","","","- C29 H37 N3 O3 -","- C29 H37 N3 O3 -","- C116 H148 N12 O12 -","4","4","","Wu, Xiaowei; Zhang, Dengyou; Zhou, Shengbin; Gao, Feng; Liu, Hong","Site-specific indolation of proline-based peptides via copper(ii)-catalyzed oxidative coupling of tertiary amine N-oxides.","Chemical communications (Cambridge, England)","2015","51","63","12571","12573","10.1039/c5cc03706a","","","1.54178","CuKα","","0.0891","0.0725","","","0.1976","0.2174","","","","","","1.026","","","","has coordinates","152995","2020-10-21","18:00:00",""
"7117653","9.7972","0.0004","10.4809","0.0005","12.3285","0.0006","107.162","0.001","102.474","0.001","101.595","0.001","1132.47","0.09","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-L-U-gA-L-U-gA-OEt","(6S,12R,17R,23S)-ethyl 6,17-diisobutyl-2,2,9,9,12,20,20,23-octamethyl-4,7,10,15,18,21-hexaoxo-3-oxa-5,8,11,16,19,22-hexaazahexacosan-26-oate","","- C39 H74 N6 O10 -","- C39 H74 N6 O10 -","- C39 H74 N6 O10 -","1","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","","0.0358","0.035","","","0.1039","0.1052","","","","","","0.908","","","","has coordinates","153733","2020-10-21","18:00:00",""
"7117759","9.724","0.005","11.581","0.005","11.774","0.005","75.443","0.005","87.986","0.005","89.04","0.005","1282.5","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H23 Br N2 O S -","- C30 H23 Br N2 O S -","- C60 H46 Br2 N4 O2 S2 -","2","2","","Alok Ranjan; Anupam Mandal; Swapnil G. Yerande; Dattatraya H. Dethe","An asymmetric alkynylation/hydrothiolation cascade: an enantioselective synthesis of thiazolidine-2-imines from imines, acetylenes and isothiocyanates","Chem.Commun.","2015","51","","14215","","10.1039/C5cc05549K","","","0.71069","MoKα","","0.1707","0.0884","","","0.145","0.1736","","","","","","1.023","","","","has coordinates","153939","2020-10-21","18:00:00",""
"7117818","9.0037","0.0011","11.2268","0.0013","15.1421","0.0016","83.982","0.005","80.95","0.004","82.455","0.005","1492.9","0.3","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H47 B N O3 P2 Rh -","- C25 H47 B N O3 P2 Rh -","- C50 H94 B2 N2 O6 P4 Rh2 -","2","2","","Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein","Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex","Chem.Commun.","2015","51","","14613","","10.1039/C5cc05606C","","","0.71073","MoKα","","0.0669","0.049","","","0.1114","0.1218","","","","","","1.016","","","","has coordinates","158225","2020-10-21","18:00:00",""
"7117980","9.2739","0.00019","13.4321","0.0003","14.8221","0.0003","87.1166","0.0018","88.9874","0.0016","81.7319","0.0019","1824.75","0.07","173","0.1","173","0.1","","","","","","","","5","P 1","P 1","1","","Sodium Bora(bis-mandelate) ethanolate","","- C18 H18 B Na O7 -","- C18 H18 B Na O7 -","- C72 H72 B4 Na4 O28 -","4","4","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","x-ray","1.54184","CuKα","","0.0281","0.0262","","","0.0667","0.068","","","","","","1.006","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7118011","6.2811","0.001","7.9645","0.0012","11.2853","0.0018","71.701","0.001","89.752","0.002","81.716","0.002","529.91","0.14","90","","90","","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","1","1","","Keiji Mori; Ayaka Miyake; Takahiko Akiyama","Enantioselective synthesis of fused heterocycles with contiguous stereogenic centers by chiral phosphoric acid catalyzed symmetry breaking","Chem.Commun.","2015","51","","16107","","10.1039/C5cc05508C","","","0.71073","MoKα","","0.0195","0.0193","","","0.0469","0.047","","","","","","0.675","","","","has coordinates","169889","2020-10-21","18:00:00",""
"7118026","6.8482","0.0004","7.9264","0.0004","8.7986","0.0005","92.069","0.002","99.774","0.002","96.704","0.002","466.69","0.04","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H14 Cl2 O S2 -","- C21 H14 Cl2 O S2 -","- C21 H14 Cl2 O S2 -","1","1","","Kui Liao; Feng Zhou; Jin-Sheng Yu; Wei-Ming Gao; Jian Zhou","Catalytic asymmetric sulfenylation to structurally diverse dithioketals","Chem.Commun.","2015","51","","16255","","10.1039/C5cc07010D","","","0.71073","MoKα","","0.0319","0.0306","","","0.0758","0.0769","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118130","15.722","0.003","15.738","0.003","18.629","0.004","104.9","0.03","114.87","0.03","91.3","0.03","3996.1","1.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C120 H130 Cu4 N10 O46 S4 -","- C120 H130 Cu4 N10 O46 S4 -","- C120 H130 Cu4 N10 O46 S4 -","1","1","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.71073","MoKα","","0.1296","0.0716","","","0.1882","0.2291","","","","","","1.012","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118131","15.702","0.003","15.714","0.0012","18.656","0.003","113.62","0.0019","107.65","0.004","90.7","0.007","3971.6","1","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C131.5 H156 Cu4 N12.5 O47.5 S4 -","- C131.5 H154 Cu4 N12.5 O47.5 S4 -","- C131.5 H154 Cu4 N12.5 O47.5 S4 -","1","1","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.7108","Synchrotron","","0.0736","0.066","","","0.1874","0.1967","","","","","","1.031","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118132","15.638","0.003","15.832","0.0006","18.482","0.0019","72.648","0.007","65.229","0.003","89.532","0.012","3929.5","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C120 H108 Cu4 D24 N8 O46 S8 -","- C120 H108 Cu4 D24 N8 O46 S8 -","- C120 H108 Cu4 D24 N8 O46 S8 -","1","1","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.7108","Synchrotron","","0.0966","0.083","","","0.2378","0.2555","","","","","","1.037","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118317","7","0.0007","7.1645","0.0008","13.4574","0.0016","94.095","0.004","93.302","0.004","105.223","0.004","647.52","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H12 N6 O2 -","- C11 H12 N6 O2 -","- C22 H24 N12 O4 -","2","2","","Pathigoolla, Atchutarao; Sureshan, Kana M.","The topochemical synthesis of triazole-linked homobasic DNA.","Chemical communications (Cambridge, England)","2016","52","5","886","888","10.1039/c5cc08834h","","","0.71073","MoKα","","0.0853","0.0603","","","0.1639","0.191","","","","","","0.927","","","","has coordinates,has disorder","173522","2020-10-21","18:00:00",""
"7118457","9.5019","0.0006","10.4381","0.001","18.819","0.002","93.77","0.009","102.375","0.007","116.062","0.008","1610.3","0.3","293.78","0.1","293.78","0.1","","","","","","","","5","P 1","P 1","1","","","","- C34 H33 Br N2 O7 -","- C34 H33 Br N2 O7 -","- C68 H66 Br2 N4 O14 -","2","2","","Zhang, Zhenhua; Sun, Wangsheng; Zhu, Gongming; Yang, Junxian; Zhang, Ming; Hong, Liang; Wang, Rui","Chiral phosphoric acid catalyzed enantioselective 1,3-dipolar cycloaddition reaction of azlactones.","Chemical communications (Cambridge, England)","2016","52","7","1377","1380","10.1039/c5cc08989a","","x-ray","0.71073","MoKα","","0.0973","0.0387","","","0.0685","0.0744","","","","","","0.729","","","","has coordinates","174471","2020-10-21","18:00:00",""
"7118599","5.6674","0.0019","8.267","0.003","9.097","0.003","101.836","0.008","101.813","0.006","92.712","0.006","406.5","0.2","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H19 P -","- C21 H19 P -","- C21 H19 P -","1","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0463","0.0439","","","0.0984","0.0997","","","","","","1.052","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118724","12.4078","0.0019","13.287","0.002","14.052","0.002","96.92","0.003","105.67","0.003","107.141","0.003","2080.5","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H54 Cu F6 N4 O P -","- C39 H54 Cu F6 N4 O P -","- C78 H108 Cu2 F12 N8 O2 P2 -","2","2","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71073","MoKα","","0.1009","0.0525","","","0.1096","0.1311","","","","","","1.017","","","","has coordinates,has disorder","181530","2020-10-21","18:00:00",""
"7118844","12.367","0.003","13.818","0.003","16.091","0.005","105.224","0.006","97.197","0.006","113.827","0.004","2342.2","1.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","Alpha-gamma hybrid peptide","","","- C79 H134 N16 O16 -","- C79 H134 N16 O16 -","- C79 H134 N16 O16 -","1","1","","Bandyopadhyay, Anupam; Misra, Rajkumar; Gopi, Hosahudya N.","Structural features and molecular aggregations of designed triple-stranded β-sheets in single crystals.","Chemical communications (Cambridge, England)","2016","52","27","4938","4941","10.1039/c6cc00127k","","","0.71073","MoKα","","0.0957","0.064","","","0.1578","0.1734","","","","","","0.993","","","","has coordinates","181555","2020-10-21","18:00:00",""
"7119055","10.3736","0.0003","13.2432","0.0004","13.7718","0.0004","99.178","0.002","107.636","0.001","97.263","0.002","1748.99","0.09","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C72 H64 Cl4 N2 P2 Ru2 -","- C72 H64 Cl4 N2 P2 Ru2 -","- C72 H64 Cl4 N2 P2 Ru2 -","1","1","","Demyan E. Prokopchuk; Alan J. Lough; Rafael E. Rodriguez-Lugo; Robert H. Morris; Hansjorg Grutzmacher","Insights into metal-ligand hydrogen transfer: a square-planar ruthenate complex supported by a tetradentate amino-amido-diolefin ligand","Chem.Commun.","2016","52","","6138","","","","","0.71073","MoKα","","0.057","0.0456","","","0.1028","0.1089","","","","","","1.021","","","","has coordinates,has disorder","204124","2020-10-21","18:00:00",""
"7119319","10.542","0.002","12.791","0.003","15.052","0.003","97.91","0.03","98.81","0.03","96.16","0.03","1969.5","0.8","77","1","77","1","","","","","","","","4","P 1","P 1","1","cocrystal 3(HBT)","[tris(S,S-dioxides)-trithiasumanene)](1,2,6,7,11,12-hexabutoxytriphenylene)","","- C84 H114 O18 S3 -","- C84 H114 O18 S3 -","- C84 H114 O18 S3 -","1","1","","Hou, Xueqing; Zhu, Yongtao; Qin, Yunke; Chen, Lichuan; Li, Xuexiang; Zhang, Hao-Li; Xu, Wei; Zhu, Daoben; Shao, Xiangfeng","Tris(S,S-dioxide)-trithiasumanene: strong fluorescence and cocrystal with 1,2,6,7,10,11-hexabutoxytriphenylene.","Chemical communications (Cambridge, England)","2017","53","9","1546","1549","10.1039/c6cc09531c","","","0.95382","Synchrotron","","0.0794","0.0793","","","0.1831","0.1834","","","","","","1.171","","","","has coordinates","191499","2020-10-21","18:00:00",""
"7119505","10.0524","0.0003","10.2219","0.0003","18.3853","0.0005","87.4066","0.0015","86.1584","0.0014","84.2038","0.0015","1873.88","0.09","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Al2 Li2 N4 O2 -","- C36 H52 Al2 Li2 N4 O2 -","- C72 H104 Al4 Li4 N8 O4 -","2","2","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0826","0.0575","","","0.1292","0.1412","","","","","","1.027","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119506","9.9938","0.0003","10.2452","0.0003","19.3556","0.0006","75.1082","0.0013","77.7169","0.0013","84.5937","0.0013","1869.74","0.1","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Al2 Li2 N4 O2 -","- C36 H52 Al2 Li2 N4 O2 -","- C72 H104 Al4 Li4 N8 O4 -","2","2","","García-Rodríguez, Raúl; Hanf, Schirin; Bond, Andrew D.; Wright, Dominic S.","A non-chiral lithium aluminate reagent for the determination of enantiomeric excess of chiral alcohols.","Chemical communications (Cambridge, England)","2017","53","7","1225","1228","10.1039/c6cc09671a","","","1.54178","CuKα","","0.0488","0.0445","","","0.1151","0.1191","","","","","","1.024","","","","has coordinates,has disorder","190756","2020-10-21","18:00:00",""
"7119782","10.9103","0.0002","12.8039","0.0003","12.816","0.0003","94.2055","0.0015","104.224","0.0014","112.073","0.0014","1580.65","0.06","150.15","","150","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H34 O2 Si -","- C42 H34 O2 Si -","- C84 H68 O4 Si2 -","2","2","","Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.","Chemical communications (Cambridge, England)","2017","53","26","3753","3756","10.1039/c7cc01070b","","x-ray","1.54187","CuKα","","0.0439","0.0373","","","0.0927","0.1058","","","","","","1.076","","","","has coordinates","194962","2020-10-21","18:00:00",""
"7119842","12.3044","0.0004","13.4038","0.0003","13.5784","0.0003","79.486","0.002","65.17","0.003","88.284","0.002","1995.55","0.1","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H21 Dy F18 N2 O6 -","- C32 H21 Dy F18 N2 O6 -","- C64 H42 Dy2 F36 N4 O12 -","2","2","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0509","0.0491","","","0.0999","0.1003","","","","","","1.02","","","","has coordinates","194924","2020-10-21","18:00:00",""
"7119843","12.2833","0.0003","13.394","0.0005","13.5543","0.0004","79.609","0.002","65.17","0.003","88.439","0.002","1987.71","0.12","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H21 Dy F18 N2 O6 -","- C32 H21 Dy F18 N2 O6 -","- C64 H42 Dy2 F36 N4 O12 -","2","2","","Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming","Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.","Chemical communications (Cambridge, England)","2017","53","28","3998","","10.1039/c7cc01042g","","","0.71073","MoKα","","0.0417","0.0389","","","0.0847","0.0851","","","","","","1.066","","","","has coordinates","194924","2020-10-21","18:00:00",""
"7119931","5.354","0.0002","8.3824","0.0004","13.8585","0.0007","96.477","0.003","93.829","0.003","105.841","0.003","591.42","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H29 F N2 O2 -","- C30 H29 F N2 O2 -","- C30 H29 F N2 O2 -","1","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0946","0.0668","","","0.1661","","","","","","","1.049","","","","has coordinates,has disorder","196272","2020-10-21","18:00:00",""
"7119984","7.801","0.0002","11.7472","0.0003","20.3556","0.0005","75.44","0.002","81.373","0.002","89.986","0.002","1783.68","0.08","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H18 B10 S2 -","- C13 H18 B10 S2 -","- C52 H72 B40 S8 -","4","4","","Quan, Yangjian; Lyu, Hairong; Xie, Zuowei","Dehydrogenative cross-coupling of o-carborane with thiophenes via Ir-catalyzed regioselective cage B-H and C(sp(2))-H activation.","Chemical communications (Cambridge, England)","2017","53","35","4818","4821","10.1039/c7cc01485f","","","0.71073","MoKα","","0.0907","0.0515","","","0.1168","0.1414","","","","","","1.001","","","","has coordinates","196299","2020-10-21","18:00:00",""
"7120217","12.0226","0.0007","12.9527","0.0008","14.7191","0.0009","114.832","0.0007","107.053","0.0007","95.6588","0.0008","1922.7","0.2","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","1","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.71073","MoKα","","0.0767","0.0505","","","0.123","0.1485","","","","","","0.846","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120218","11.997","0.0007","12.902","0.0007","14.6379","0.0008","114.666","0.0007","106.786","0.0007","95.9885","0.0007","1904.3","0.18","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","- C47 H63 Mo12 N14 O45 P -","1","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.71073","MoKα","","0.0697","0.0498","","","0.124","0.1425","","","","","","0.85","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120222","12.0562","0.0009","13.016","0.001","14.7842","0.0011","115.035","0.0009","107.201","0.001","95.3912","0.001","1942.6","0.3","270","2","270","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H60 Mo12 N14 O44 P -","- C47 H62 Mo12 N14 O45 P -","- C47 H62 Mo12 N14 O45 P -","1","1","","Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki","A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate","Chem. Commun.","2017","","","","","10.1039/C7CC03361C","","","0.71073","MoKα","","0.1161","0.0655","","","0.1519","0.1877","","","","","","0.925","","","","has coordinates","197181","2020-10-21","18:00:00",""
"7120347","16.3993","0.0004","17.3042","0.0003","24.3278","0.001","85.324","0.002","78.917","0.003","89.496","0.002","6752.2","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C211 H200 Cd5 N22 Ni2 O31 -","- C188 H138 Cd5 N16 Ni2 O20 -","- C188 H138 Cd5 N16 Ni2 O20 -","1","1","","Jiang, Huanfeng; Li, Jiawei; Ren, Yanwei; Qi, Chaorong","The first porphyrin-salen based chiral metal-organic framework for asymmetric cyanosilylation of aldehydes","Chem. Commun.","2017","","","","","10.1039/C7CC03499G","","","1.54178","CuKα","","0.1289","0.1026","","","0.2682","0.2951","","","","","","1.119","","","","has coordinates","198181","2020-10-21","18:00:00",""
"7120354","8.9975","0.0008","15.9489","0.0015","9.1643","0.0009","90","","105","0.002","90","","1270.3","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H15 B N5 Na O2 -","- C8 H14.75 B N5 Na O2 -","- C32 H59 B4 N20 Na4 O8 -","4","4","","Chen, Fuxue; Li, Xingye; Nie, Fude; Huo, Hongyu; Li, Haibo; Yin, Hongquan","Cyanotetrazolylborohydride (CTB) anion-based ionic liquids with low viscosity and high energy capacity as ultrafast-igniting hypergolic fuels","Chem. Commun.","2017","","","","","10.1039/C7CC03766J","","","0.71073","MoKα","","0.0806","0.0706","","","0.1994","0.2138","","","","","","1.14","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7120378","11.2381","0.0007","14.8266","0.0009","16.8813","0.001","97.744","0.001","98.334","0.001","101.058","0.001","2692.9","0.3","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C67.5 H51 B F4 N2 O1.5 P2 Pt -","- C67.5 H51 B F4 N2 O1.5 P2 Pt -","- C135 H102 B2 F8 N4 O3 P4 Pt2 -","2","2","","Zhong, Jian-Ji; Yang, Chen; Chang, Xiao-Yong; Zou, Chao; Lu, Wei; Che, Chi-Ming","Platinum(ii) photo-catalysis for highly selective difluoroalkylation reactions","Chem. Commun.","2017","","","","","10.1039/C7CC03823B","","","1.54178","CuKα","","0.0248","0.0248","","","0.061","0.061","","","","","","1.051","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120419","7.8397","0.0005","8.9624","0.0006","9.2212","0.0007","116.269","0.002","98.816","0.003","93.667","0.002","567.74","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","1-ethyl-3-methylimdazolium 2-methyl-4(5)-nitroimidazolate.2(2-methyl-4(5)-nitroimidazole)","","- C18 H25 N11 O6 -","- C18 H25 N11 O6 -","- C18 H25 N11 O6 -","1","1","","Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.","Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate","Chem. Commun.","2017","","","","","10.1039/C7CC04429A","","","0.71073","MoKα","","0.0407","0.0341","","","0.0803","0.0835","","","","","","1.032","","","","has coordinates","198653","2020-10-21","18:00:00",""
"7120482","8.8871","0.0007","11.1912","0.0009","28.579","0.002","84.024","0.001","84.988","0.001","71.763","0.001","2680.4","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","IPrCuTp","IPrCuTp","","- C36 H46 B Cu N8 -","- C36 H46 B Cu N8 -","- C108 H138 B3 Cu3 N24 -","3","3","","Hamze, Rasha; jazzar, rodolphe fouad rené; Soleilhavoup, Michele; Djurovich, Peter Ivan; Bertrand, Guy; Thompson, Mark","Phosphorescent 2‑, 3‑ and 4‑coordinate cyclic (alkyl)(amino)carbene (CAAC) Cu(I) complexes","Chem. Commun.","2017","","","","","10.1039/C7CC02638B","","","0.71073","MoKα","","0.0536","0.0431","","","0.0859","0.0894","","","","","","1.041","","","","has coordinates,has disorder","198868","2020-10-21","18:00:00",""
"7120797","6.4466","0.0013","13.706","0.003","14.92","0.003","73.16","0.03","87.55","0.03","89.48","0.03","1260.6","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H34 B N O4 S2 -","- C21 H34 B N O4 S2 -","- C42 H68 B2 N2 O8 S4 -","2","2","","Yang, Chun-Hua; Yang, Zhantao; Chen, Shiqi; Chen, Xixi; Zhang, Litian; Ren, Huijun","Catalyst Free Annulative Thioboration of Unfunctionalized Olefins","Chem. Commun.","2017","","","","","10.1039/C7CC06800J","","","0.71073","MoKα","","0.1566","0.0763","","","0.2019","0.2755","","","","","","0.891","","","","has coordinates","202084","2020-10-21","18:00:00",""
"7121039","10.932","0.002","11.924","0.002","12.549","0.003","118.03","0.03","108.44","0.03","96.1","0.03","1304.8","0.8","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C38 H74 Ge2 K2 N6 O12 P2 -","- C38 H74 Ge2.0001 K2 N6 O12 P1.9999 -","- C38 H74 Ge2.0001 K2 N6 O12 P1.9999 -","1","1","","Mitzinger, Stefan; Bandemehr, Jascha; Reiter, Kevin; Scott McIndoe, J.; Xie, Xiulan; Weigend, Florian; Corrigan, John F.; Dehnen, Stefanie","(Ge<sub>2</sub>P<sub>2</sub>)<sup>2-</sup>: a binary analogue of P<sub>4</sub> as a precursor to the ternary cluster anion [Cd<sub>3</sub>(Ge<sub>3</sub>P)<sub>3</sub>]<sup>3</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1421","1424","10.1039/c7cc08348c","","","0.71073","MoKα","","0.0561","0.0452","","","0.1135","0.121","","","","","","0.973","","","","has coordinates","228601","2020-10-21","18:00:00",""
"7121045","7.444","0.004","7.573","0.005","9.562","0.005","91.55","0.05","106.37","0.05","91.65","0.05","516.6","0.5","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C11 H31 B11 N2 O2 -","- C11 H31 B11 N2 O2 -","- C11 H31 B11 N2 O2 -","1","1","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.1565","0.1201","","","0.2856","0.3464","","","","","","1.068","","","","has coordinates","228392","2020-10-21","18:00:00",""
"7121329","11.4001","0.0018","12.5665","0.0019","14.19","0.002","76.975","0.002","89.282","0.002","79.014","0.002","1943.3","0.5","296","2","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C19 H21 F N2 O3 S -","- C19 H21 F N2 O3 S -","- C76 H84 F4 N8 O12 S4 -","4","4","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.1061","0.0526","","","0.1105","0.1366","","","","","","0.998","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121558","13.279","0.009","13.782","0.01","14.45","0.01","95.771","0.015","94.901","0.01","96.534","0.016","2601","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H139 N18 O36 Rh5 S15 Zn4 -","- C39 H99 N18 O36 Rh5 S15 Zn4 -","- C39 H99 N18 O36 Rh5 S15 Zn4 -","1","1","","Yasukawa, Yuhei; Yoshinari, Nobuto; Konno, Takumi","Two-step chiral transfer from d-penicillamine to metallosupramolecular ionic crystals.","Chemical communications (Cambridge, England)","2018","54","39","5003","5006","10.1039/c8cc02619j","","","0.71075","MoKα","","0.1196","0.085","","","0.2126","0.241","","","","","","1.022","","","","has coordinates","228171","2020-10-21","18:00:00",""
"7121617","8.3029","0.0003","10.9797","0.0003","12.3088","0.0003","77.695","0.003","82.174","0.002","84.301","0.003","1083.25","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","2","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0483","0.0483","","","0.1282","0.1282","","","","","","1.035","","","","has coordinates","228027","2020-10-21","18:00:00",""
"7121768","9.756","0.002","13.413","0.003","14.922","0.003","112.87","0.03","100.33","0.03","94.47","0.03","1746.4","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","trans-di(N-acetyl-L-tyrosinato)[5,10,15,20-tetraphenylporphyrinato]-tin(IV)","","- C80 H84 N6 O12 Sn -","- C72 H64 N6 O10 Sn -","- C72 H64 N6 O10 Sn -","1","1","","Natali, Mirco; Amati, Agnese; Demitri, Nicola; Iengo, Elisabetta","Formation of a long-lived radical pair in a Sn(iv) porphyrin-di(l-tyrosinato) conjugate driven by proton-coupled electron-transfer.","Chemical communications (Cambridge, England)","2018","54","48","6148","6152","10.1039/c8cc03441a","","","0.7","Synchrotron","","0.0406","0.04","","","0.106","0.1066","","","","","","1.057","","","","has coordinates","228352","2020-10-21","18:00:00",""
"7121919","7.035","0.0017","8.4308","0.0018","15.21","0.004","98.594","0.019","99.03","0.02","105.311","0.02","841.9","0.4","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- C39 H40 N2 O7 -","- C39 H40 N2 O7 -","- C39 H40 N2 O7 -","1","1","","Zhao, Mengting; Yue, Yuxin; Liu, Chang; Hui, Peiyi; He, Song; Zhao, Liancheng; Zeng, Xianshun","A colorimetric and fluorometric dual-modal sensor for methanol based on a functionalized pentacenequinone derivative.","Chemical communications (Cambridge, England)","2018","54","60","8339","8342","10.1039/c8cc04515a","","x-ray","0.71073","MoKα","","0.1785","0.0852","","","0.2309","0.339","","","","","","0.968","","","","has coordinates","228542","2020-10-21","18:00:00",""
"7121981","12.62193","0.00018","13.55916","0.00019","20.6596","0.0003","92.8838","0.0011","91.5768","0.0011","94.1281","0.0011","3520.38","0.09","149.99","0.1","149.99","0.1","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C22 H20 F6 N4 O S -","- C22 H20 F5.99995 N4 O S -","- C132 H120 F35.9997 N24 O6 S6 -","6","6","","Zabaleta, Nagore; Uria, Uxue; Reyes, Efraim; Carrillo, Luisa; Vicario, Jose L.","Ion-pairing catalysis in the enantioselective addition of hydrazones to N-acyldihydropyrrole derivatives.","Chemical communications (Cambridge, England)","2018","54","64","8905","8908","10.1039/c8cc05311a","","x-ray","1.54184","CuKα","","0.0567","0.055","","","0.1507","0.1532","","","","","","1.066","","","","has coordinates,has disorder","228234","2020-10-21","18:00:00",""
"7122055","9.394","0.0005","11.9351","0.0006","20.7497","0.0011","86.519","0.004","79.694","0.004","82.07","0.004","2265.4","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H66 Cl N5 Ni O5 Si2 -","- C39 H66 Cl N5 Ni O5 Si2 -","- C78 H132 Cl2 N10 Ni2 O10 Si4 -","2","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0938","0.0739","","","0.1836","0.2067","","","","","","1.036","","","","has coordinates","228568","2020-10-21","18:00:00",""
"7122112","8.2891","0.0001","10.4836","0.0001","17.2528","0.0002","77.456","0.001","86.077","0.001","84.648","0.001","1455.3","0.03","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C27 H33 Cl O4 P2 Pd -","- C27 H33 Cl O4 P2 Pd -","- C54 H66 Cl2 O8 P4 Pd2 -","2","2","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0333","0.0273","","","0.0619","0.0655","","","","","","1.046","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122446","20.155","0.0011","20.4279","0.0011","20.6157","0.001","114.452","0.002","109.472","0.001","91.124","0.002","7160.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C257 H240 F15 Fe4 N36 O27 S5 -","- C257 H240 F15 Fe4 N36 O27 S5 -","- C257 H240 F15 Fe4 N36 O27 S5 -","1","1","","Han, Wang-Kang; Zhang, Hai-Xia; Wang, Yong; Liu, Wei; Yan, Xiaodong; Li, Tao; Gu, Zhi-Guo","Tetrahedral metal-organic cages with cube-like cavities for selective encapsulation of fullerene guests and their spin-crossover properties.","Chemical communications (Cambridge, England)","2018","54","89","12646","12649","10.1039/c8cc06652c","","","0.71073","MoKα","","0.1466","0.0756","","","0.1717","0.1902","","","","","","1.041","","","","has coordinates,has disorder","228266","2020-10-21","18:00:00",""
"7122455","12.05","0.006","12.052","0.007","16.964","0.016","90.01","0.03","90.05","0.02","90.012","0.011","2464","3","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C23.9 H24 I N3 O3 -","- C23.9 H24 I N3 O3 -","- C95.6 H96 I4 N12 O12 -","4","4","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","","0.71073","MoKα","","0.0899","0.0674","","","0.1918","0.2115","","","","","","1.066","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122456","8.1154","0.0011","9.9402","0.0013","10.784","0.0014","78.245","0.005","87.577","0.006","69.347","0.005","796.54","0.18","300","2","300","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","1","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","","1.54178","CuKα","","0.0346","0.0324","","","0.0836","0.0861","","","","","","1.048","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122513","10.232","0.002","9.883","0.002","8.5961","0.0017","102.92","0.03","99.2","0.03","68.34","0.03","784.6","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H16 N3 O8 P -","- C11 H16 N3 O8 P -","- C22 H32 N6 O16 P2 -","2","2","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1166","0.0769","","","0.1921","0.2254","","","","","","1.042","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122694","9.4955","0.0004","11.2983","0.0005","11.3062","0.0005","75.516","0.004","69.837","0.004","89.852","0.003","1097.76","0.09","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 Cl2 N O4 -","- C24 H23 Cl2 N O4 -","- C48 H46 Cl4 N2 O8 -","2","2","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","x-ray","1.54184","CuKα","","0.0574","0.0547","","","0.136","0.1402","","","","","","1.06","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122756","8.5488","0.0005","9.3389","0.0006","12.6348","0.0006","110.339","0.005","97.169","0.004","98.871","0.005","917.02","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 N6 O10 Pt2 -","- C38 H42 N6 O10 Pt2 -","- C38 H42 N6 O10 Pt2 -","1","1","","Dutta, Pradip; Sharma, Rupali; Kumari, Smita; Dubey, Ravindra Dhar; Sarkar, Sujit; Jhonpeter, Justin; vijaykumar, gonela; Pandey, Manoj; Sravanti, L.; Samarla, M.; Das, Hari Sankar; S, Yashpal; B, Heeralal; Goyal, Ravinder; Gupta, Nimish; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam","A Safe and Efficacious Pt(II) Anticancer Prodrug: Design, Synthesis, In-vitro Efficacy, Role of Carrier Ligand and In-vivo Tumour Growth Inhibition","Chemical Communications","2018","","","","","10.1039/C8CC06586A","","x-ray","0.71073","MoKα","","0.0487","0.0456","","","0.1113","0.1164","","","","","","1.042","","","","has coordinates","212695","2020-10-21","18:00:00",""
"7122835","9.4112","0.0003","14.2754","0.0005","16.4708","0.001","84.157","0.004","88.236","0.004","85.515","0.003","2194.01","0.17","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C45 H61.72 N6 O6.86 -","- C45 H61.715 N6 O6.8575 -","- C90 H123.43 N12 O13.715 -","2","2","","Caltagirone, Claudia; Montis, Riccardo; Lippolis, Vito; Bencini, Andrea; Conti, Luca; Giorgi, Claudia; Horton, Peter; Coles, Simon; Mapp, Lucy K.; Gale, Philip A.; Fusaro, Luca","Fluoride binding by an anionic receptor: tuning the acidity of amide NH groups for basic anion hydrogen bonding and recognition","Chemical Communications","2019","","","","","10.1039/C8CC09962F","","x-ray","0.71075","MoKα","","0.0826","0.054","","","0.1122","0.1249","","","","","","1.008","","","","has coordinates,has disorder","213054","2020-10-21","18:00:00",""
"7122849","5.7997","0.0002","7.802","0.0003","10.7127","0.0004","101.38","0.003","93.123","0.003","94.168","0.003","472.78","0.03","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H12 F N O -","- C10 H12 F N O -","- C20 H24 F2 N2 O2 -","2","2","","Cosimi, Elena; Trapp, Nils; Ebert, Marc-Olivier; Wennemers, Helma","Combined Experimental and Theoretical Study of Long-Range H F Interactions in α Fluoro Amides","Chemical Communications","2019","","","","","10.1039/C8CC09987A","","x-ray","1.54184","CuKα","","0.0483","0.0406","","","0.111","0.1196","","","","","","1.06","","","","has coordinates","213166","2020-10-21","18:00:00",""
"7122888","12.6909","0.0002","13.7931","0.0002","27.404","0.0005","90.1257","0.0015","90.0016","0.0015","98.397","0.0014","4745.55","0.13","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H50 Cl2 Co2 N8 O4 -","- C46 H50 Cl2 Co2 N8 O4 -","- C184 H200 Cl8 Co8 N32 O16 -","4","4","","Saund, Simran S.; Goldschmid, Samantha L.; Ng, Karina; Stewart, Veronica J.; Siegler, Maxime A.; Thoi, V. Sara","Exploring Ligand Non-Innocence of Coordinatively-Versatile Diamidodipyrrinato Cobalt Complexes","Chemical Communications","2019","","","","","10.1039/C8CC08674E","","","0.71073","MoKα","","0.0487","0.0397","","","0.0854","0.0913","","","","","","1.02","","","","has coordinates,has disorder","213263","2020-10-21","18:00:00",""
"7122896","10.1547","0.0005","12.0754","0.0005","15.9307","0.0006","110.603","0.004","90.185","0.004","92.969","0.004","1825.58","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","S-L-Cd","","","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","1","1","","Deng, Wen-Ting; Qu, Hang; Huang, Zhe-Yu; Shi, Lin; Tang, Zhiyong; Cao, Xiaoyu; Tao, Jun","Facile Synthesis of Homochiral Compounds Integrating Circularly Polarized Luminescence and Two-Photon Excited Fluorescence","Chemical Communications","2019","","","","","10.1039/C8CC08947G","","x-ray","1.54184","CuKα","","0.0493","0.0487","","","0.1237","0.124","","","","","","1.042","","","","has coordinates","213324","2020-10-21","18:00:00",""
"7122897","10.156","0.0003","12.1202","0.0003","15.929","0.0004","110.664","0.002","90.32","0.002","93.114","0.002","1831.25","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","R-L-Cd","","","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","1","1","","Deng, Wen-Ting; Qu, Hang; Huang, Zhe-Yu; Shi, Lin; Tang, Zhiyong; Cao, Xiaoyu; Tao, Jun","Facile Synthesis of Homochiral Compounds Integrating Circularly Polarized Luminescence and Two-Photon Excited Fluorescence","Chemical Communications","2019","","","","","10.1039/C8CC08947G","","x-ray","1.54184","CuKα","","0.0439","0.0436","","","0.1147","0.1153","","","","","","1.03","","","","has coordinates","213324","2020-10-21","18:00:00",""
"7123099","12.6783","0.0007","12.9154","0.0007","14.6274","0.0008","81.889","0.001","73.02","0.001","65.168","0.001","2078.5","0.2","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C38 H56 Cl6 Ir N2 O2 -","- C38 H56 Cl6 Ir N2 O2 -","- C76 H112 Cl12 Ir2 N4 O4 -","2","2","","Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming","Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity","Chemical Communications","2019","","","","","10.1039/C8CC10220A","","","1.54178","CuKα","","0.0333","0.0331","","","0.09","0.0904","","","","","","1.025","","","","has coordinates","214038","2020-10-21","18:00:00",""
"7123118","11.0997","0.0008","11.2837","0.0008","22.4561","0.0016","95.057","0.004","95.843","0.004","90.981","0.004","2786.1","0.3","120","2","120","2","","","","","","","synthesized by the authors","5","P 1","P 1","1","","","","- C59 H46 Cl2 N12 O12 -","- C59 H46 Cl2 N12 O12 -","- C118 H92 Cl4 N24 O24 -","2","2","","Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan","Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis","Chemical Communications","2019","","","","","10.1039/C8CC06500D","","","1.54178","CuKα","","0.0969","0.0862","","","0.2326","0.2439","","","","","","1.028","","","","has coordinates","214051","2020-10-21","18:00:00",""
"7123136","6.424","0.0001","8.148","0.0002","11.8965","0.0003","108.357","0.001","103.555","0.001","93.668","0.001","568.1","0.02","170","2","170.01","","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O2 S2 -","- C26 H26 N2 O2 S2 -","- C26 H26 N2 O2 S2 -","1","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","1.34139","GaKα","","0.037","0.0369","","","0.1009","0.101","","","","","","1.026","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123143","7.182","0.008","9.354","0.01","10.768","0.011","108.471","0.014","90.746","0.016","107.794","0.015","648.5","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H39 N O3 S Si -","- C22 H39 N O3 S Si -","- C22 H39 N O3 S Si -","1","1","","Tang, Fan; Ma, Peng-Ju; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Divergent synthesis of polysubstituted cyclopropanes and β-silyoxy imidates via switchable additions of N-tert-butanesulfinylimidates to acylsilanes","Chemical Communications","2019","","","","","10.1039/C9CC00963A","","","0.71073","MoKα","","0.1211","0.0703","","","0.1223","0.1432","","","","","","1.073","","","","has coordinates","214112","2020-10-21","18:00:00",""
"7123267","4.9067","0.0002","9.2799","0.0003","17.3392","0.0006","78.036","0.001","87.305","0.001","80.354","0.001","761.39","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","QYJ-2","","","- C38 H44 S Se -","- C38 H44 S Se -","- C38 H44 S Se -","1","1","","Qiao, Yanjun; Lu, Yifan; Chen, Weinan; Chen, Yijing; Baumgarten, Martin; Zhou, Gang","Cyclopenta[b]thiopyran and Cyclopenta[b]selenopyran Based Heteroarenes: Electronic Communication Between S- and/or Se-Fused Aromatics","Chemical Communications","2019","","","","","10.1039/C9CC01761E","","","1.54178","CuKα","","0.1207","0.1062","","","0.3024","0.3353","","","","","","1.456","","","","has coordinates","214489","2020-10-21","18:00:00",""
"7123373","12.7903","0.0003","14.1652","0.0005","15.71","0.0006","108.488","0.003","108.523","0.003","104.203","0.003","2362.4","0.18","150","0.1","150","0.1","","","","","","","","8","P 1","P 1","1","","","","- C81 H62 B2 Cl2 F12 N8 O4 Rh2 -","- C81 H62 B2 Cl2 F12 N8 O4 Rh2 -","- C81 H62 B2 Cl2 F12 N8 O4 Rh2 -","1","1","","Wang, Wei; Xia, Xiaohan; Bian, Guang-ling; Song, Ling","A Chiral Sensor for Recognition of Varied Amines Based on 19F NMR Signals of new designed Rhodium Complexes","Chemical Communications","2019","","","","","10.1039/C9CC01942A","","","1.54184","CuKα","","0.0996","0.0947","","","0.249","0.2581","","","","","","1.124","","","","has coordinates","214861","2020-10-21","18:00:00",""
"7123483","9.475","0.0009","9.6439","0.0009","10.829","0.001","85.185","0.003","81.59","0.003","82.894","0.003","969.16","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H22 Br N O2 S -","- C19 H22 Br N O2 S -","- C38 H44 Br2 N2 O4 S2 -","2","2","","Zhang, Gao-Peng; Huang, Shuai; Jiang, Yang-Jie; Liu, Xiu-Yan; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Pd-catalyzed enantioselective cyclopropanation of nitriles with mono substituted allyl carbonates enabled by the bulky N-heterocyclic carbene ligand","Chemical Communications","2019","","","","","10.1039/C9CC01960J","","","0.71073","MoKα","","0.0529","0.0383","","","0.0947","0.1027","","","","","","1.051","","","","has coordinates","215286","2020-10-21","18:00:00",""
"7123607","4.7844","0.0002","10.4899","0.0003","21.3123","0.0007","82.522","0.002","87.079","0.002","88.45","0.002","1058.92","0.06","115","2","115.14","","","","","","","","","5","P 1","P 1","1","","FuA_14","","- C20 H36 F N3 O4 -","- C20 H36 F N3 O4 -","- C40 H72 F2 N6 O8 -","2","2","","Dastidar, Parthasarathi; Chakraborty, Poulami","An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications","Chemical Communications","2019","","","","","10.1039/C9CC03037A","","","1.54178","CuKα","","0.0605","0.0473","","","0.113","0.1267","","","","","","1.032","","","","has coordinates","215759","2020-10-21","18:00:00",""
"7123783","8.3479","0.0005","13.311","0.0007","13.7777","0.0007","108.424","0.002","107.555","0.002","90.707","0.003","1375","0.13","100","","100","","","","","","","","Synthesis","5","P 1","P 1","1","","tert-Butyl (5aS,10bS,11aS)-6-acetyl-11a-hydroperoxy-3,3,10b-trimethyl-1,4-dioxo-1,3,4,5a,6,10b,11,11a-octahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-2-carboxylate (16)","","- C24.5 H32 Cl1.5 N3 O7.25 -","- C24.5 H32 Cl1.5 N3 O7.25 -","- C49 H64 Cl3 N6 O14.5 -","2","2","","Guo, Hai-Ming; Yang, Xin-He; Li, Jianping; Wang, Dong-Chao; Xie, Ming-Sheng; Qu, Gui-Rong","Enantioselective Dearomative [3+2] Cycloaddition of 2-Nitrobenzofurans with Aldehyde-Derived Morita−Baylis−Hillman Carbonates","Chemical Communications","2019","","","","","10.1039/C9CC04542B","","","0.71073","MoKα","","0.0847","0.0745","","","0.1817","0.1899","","","","","","1.08","","","","has coordinates,has disorder","216774","2020-10-21","18:00:00",""
"7123840","6.79","0.003","8.39","0.002","8.689","0.003","108.45","0.03","102.39","0.03","112.79","0.04","399.4","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C18 H18 O2 S -","1","1","","Luo, Hui-Yun; Xie, Yu-Yang; Song, Xu-Feng; Dong, Jia-Wei; Zhu, Deng; Chen, Zhi-Min","Lewis Base-Catalyzed Asymmetric Sulfenylation of Alkenes: Construction of Sulfenylated Lactones and Application to the Formal Syntheses of (-)-Nicotlactone B and (−)-Galbacin","Chemical Communications","2019","","","","","10.1039/C9CC04758A","","","1.54178","CuKα","","0.043","0.038","","","0.0932","0.0982","","","","","","1.056","","","","has coordinates","216984","2020-10-21","18:00:00",""
"7123968","8.3714","0.0007","13.6749","0.0007","16.118","0.0008","82.28","0.004","87.767","0.005","73.097","0.006","1749.4","0.2","173","","173","","","","","","","","","3","P 1","P 1","1","","","","- C15 H11 F3 -","- C15 H11 F3 -","- C90 H66 F18 -","6","6","","O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra","Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif","Chemical Communications","2019","","","","","10.1039/C9CC05749H","","","1.54184","CuKα","","0.1674","0.0948","","","0.2188","0.2782","","","","","","0.948","","","","has coordinates","217480","2020-10-21","18:00:00",""
"7124017","14.2178","0.0005","15.0893","0.0004","15.4758","0.0004","101.542","0.002","113.361","0.003","106.394","0.003","2734.4","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C115 H117.5 Br6 Co3 N13.5 O4 -","- C115 H117.5 Br6 Co3 N13.5 O4 -","- C115 H117.5 Br6 Co3 N13.5 O4 -","1","1","","Wang, Kuiyuan; Prior, Timothy J.; Redshaw, Carl","Turning on ROP activity in a bimetallic Co/Zn complex supported by a [2+2] Schiff-base macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC04494A","","","0.71075","MoKα","","0.0804","0.0528","","","0.1179","0.128","","","","","","1.03","","","","has coordinates,has disorder","217566","2020-10-21","18:00:00",""
"7124054","6.1589","0.0002","10.7744","0.0003","13.0636","0.0004","104.09","0.001","93.658","0.001","95.647","0.001","833.25","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","JK-494","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C38 H46 N6 O2 -","2","2","","Küppers, Jim; Benkel, Tobias; Annala, Suvi; Schnakenburg, Gregor; Kostenis, Evi; Gütschow, Michael","BIM-46174 fragments as potential ligands of G proteins","MedChemComm","2019","10","10","1838","","10.1039/C9MD00269C","","x-ray","1.54178","CuKα","","0.0399","0.0367","","","0.0915","0.0936","","","","","","1.063","","","","has coordinates","224639","2020-10-21","18:00:00",""
"7124148","7.6239","0.0003","7.759","0.0002","25.3429","0.0009","93.231","0.003","93.462","0.003","91.842","0.003","1493.06","0.09","223","","223","","","","","","","","","3","P 1","P 1","1","","2-Methyl-4-(pyren-1-yl)thiophene","","- C21 H14 S -","- C21 H14 S -","- C84 H56 S4 -","4","4","","Ikeya, Minako; Katada, Genki; Ito, Suguru","Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism","Chemical Communications","2019","","","","","10.1039/C9CC06406K","","","1.54184","CuKα","","0.1257","0.1215","","","0.3706","0.3754","","","","","","1.719","","","","has coordinates","218235","2020-10-21","18:00:00",""
"7124217","8.797","0.004","12.138","0.005","15.509","0.006","89.798","0.007","86.468","0.007","70.434","0.007","1557.2","1.1","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H42 N2 O4.5 Rh -","- C32 H37 N2 O4.5 Rh -","- C64 H74 N4 O9 Rh2 -","2","2","","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","","0.0352","0.0348","","","0.09","0.0905","","","","","","1.042","","","","has coordinates,has disorder","218559","2020-10-21","18:00:00",""
"7124450","7.387","0.0002","9.3722","0.0002","15.5339","0.0004","73.192","0.001","85.049","0.001","75.31","0.001","995.76","0.04","170","2","169.97","","","","","","","","","5","P 1","P 1","1","","","","- C24 H28 F N O2 -","- C24 H28 F N O2 -","- C48 H56 F2 N2 O4 -","2","2","","Mao, Yang-Jie; Luo, Gen; Hao, Hong-Yan; Xu, Zhen Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Anion Ligand Promoted Selective C-F Bond Reductive Elimination Enables C(sp2)-H Fluorination","Chemical Communications","2019","","","","","10.1039/C9CC07726J","","","1.34139","GaKα","","0.0365","0.036","","","0.0994","0.1003","","","","","","1.042","","","","has coordinates","223387","2020-10-21","18:00:00",""
"7124507","12.859","0.0003","13.8291","0.0004","24.3771","0.0006","85.237","0.002","77.006","0.002","85.321","0.002","4200.51","0.19","123","","123","","","","","","","","","5","P 1","P 1","1","cyclohexanohemicucurbit[6]uril complex with zinc tetraphenylporphyrin","","","- C185 H206 N32 O14 Zn2 -","- C185 H206 N32 O14 Zn2 -","- C185 H206 N32 O14 Zn2 -","1","1","","Ustrnul, Lukaš; Kaabel, Sandra; Burankova, Tatsiana; Martõnova, Jevgenija; Adamson, Jasper; Konrad, Nele; Burk, Peeter; Borovkov, Victor; Aav, Riina","Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8)","Chemical Communications","2019","","","","","10.1039/C9CC07150D","","x-ray","1.54184","CuKα","","0.0746","0.06","","","0.1419","0.1562","","","","","","1.019","","","","has coordinates,has disorder","227950","2020-10-21","18:00:00",""
"7124508","17.6254","0.0002","18.115","0.0002","35.0077","0.0004","86.071","0.001","82.833","0.001","87.195","0.001","11054.8","0.2","123","2","123","","","","","","","","","6","P 1","P 1","1","cyclohexanohemicucurbit[8]uril complex with zinc tetraphenylporphyrin","","","- C154.67 H158.67 Cl4 N24 O8.67 Zn2 -","- C154.667 H158.667 Cl4 N24 O8.66667 Zn2 -","- C464 H476 Cl12 N72 O26 Zn6 -","3","3","","Ustrnul, Lukaš; Kaabel, Sandra; Burankova, Tatsiana; Martõnova, Jevgenija; Adamson, Jasper; Konrad, Nele; Burk, Peeter; Borovkov, Victor; Aav, Riina","Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8)","Chemical Communications","2019","","","","","10.1039/C9CC07150D","","x-ray","1.54184","CuKα","","0.067","0.0625","","","0.1809","0.1927","","","","","","0.827","","","","has coordinates,has disorder","227950","2020-10-21","18:00:00",""
"7124620","9.6363","0.0004","10.354","0.0004","10.4978","0.0004","107.019","0.001","113.605","0.001","91.585","0.001","905.11","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","(BDI)Nb(NtBu)Ph","","","- C39 H54 N3 Nb -","- C39 H54 N3 Nb -","- C39 H54 N3 Nb -","1","1","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","mokα","","0.0412","0.0393","","","0.0773","0.0786","","","","","","1.057","","","","has coordinates","234016","2020-10-21","18:00:00",""
"7124650","5.8187","0.0008","11.7632","0.0017","11.9555","0.0018","79.413","0.003","87.509","0.003","78.478","0.002","788.2","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 Cl N3 O8 -","- C29 H24 Cl N3 O8 -","- C29 H24 Cl N3 O8 -","1","1","","Liu, Kang; Xiong, Yong; Wang, Zuo-Fei; Tao, Hai-Yan; Wang, Chun-Jiang","Ligand-controlled stereodivergent 1,3-dipolar cycloaddition of azomethine ylides with 3-methyl-4-nitro-5-styrylisoxazoles.","Chemical communications (Cambridge, England)","2016","52","60","9458","9461","10.1039/c6cc03169b","","","0.71073","MoKα","","0.0811","0.0735","","","0.1829","0.1946","","","","","","0.924","","","","has coordinates","234072","2020-10-21","18:00:00",""
"7124903","9.887","0.003","11.839","0.004","15.495","0.005","77.762","0.003","80.071","0.003","66.473","0.003","1617.3","0.9","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H30 B Cl N4 O2 -","- C40.5 H30 B Cl N4 O2 -","- C81 H60 B2 Cl2 N8 O4 -","2","2","","Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.","Chemical communications (Cambridge, England)","2016","52","71","10727","10730","10.1039/c6cc05439k","","","0.71073","MoKα","","0.1166","0.0789","","","0.1516","0.1712","","","","","","1.185","","","","has coordinates,has disorder","234335","2020-10-21","18:00:00",""
"7124934","18.9274","0.0016","19.8289","0.0016","22.328","0.002","110.839","0.002","102.662","0.002","108.564","0.002","6881.7","1","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C204 H264 B6 F24 N36 Ni4 O12 -","- C204 H264 B6 F24 N36 Ni4 O12 -","- C204 H264 B6 F24 N36 Ni4 O12 -","1","1","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.1874","0.0932","","","0.1948","0.2168","","","","","","1.038","","","","has coordinates,has disorder","234362","2020-10-21","18:00:00",""
"7124936","19.222","0.003","20.854","0.003","22.254","0.003","106.518","0.003","103.878","0.004","112.172","0.003","7289.5","1.9","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C241 H264 F3 N36 Ni4 O3 S -","- C241 H264 F3 N36 Ni4 O3 S -","- C241 H264 F3 N36 Ni4 O3 S -","1","1","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.182","0.101","","","0.2209","0.2438","","","","","","1.054","","","","has coordinates,has disorder","234362","2020-10-21","18:00:00",""
"7125084","6.6849","0.0005","8.3964","0.0008","15.203","0.003","86.78","0.012","77.306","0.009","68.018","0.006","771.63","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 As F6 S12 -","- C20 H20 As F6 S12 -","- C20 H20 As F6 S12 -","1","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0971","0.0413","","","0.069","0.0811","","","","","","1.006","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125086","6.6529","0.0007","8.4663","0.0003","15.2766","0.0011","87.151","0.006","77.495","0.007","68.478","0.007","781.06","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 F6 S12 Sb -","- C20 H20 F6 S12 Sb -","- C20 H20 F6 S12 Sb -","1","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0907","0.0531","","","0.1354","0.1523","","","","","","1.062","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125181","12.0223","0.0003","15.7744","0.0004","15.908","0.0004","61.685","0.002","76.21","0.002","82.022","0.002","2578.18","0.12","200","1","200","1","","","","","","","","4","P 1","P 1","1","","","","- C48 H75 N3 O9 -","- C48 H75 N3 O9 -","- C96 H150 N6 O18 -","2","2","","Caumes, Xavier; Baldi, Arianna; Gontard, Geoffrey; Brocorens, Patrick; Lazzaroni, Roberto; Vanthuyne, Nicolas; Troufflard, Claire; Raynal, Matthieu; Bouteiller, Laurent","Tuning the structure of 1,3,5-benzene tricarboxamide self-assemblies through stereochemistry.","Chemical communications (Cambridge, England)","2016","52","91","13369","13372","10.1039/c6cc07325e","","","1.54178","CuKα","","0.0478","0.0411","","","0.1074","0.1127","","","","","","1.024","","","","has coordinates","234578","2020-10-21","18:00:00",""
"7125182","11.5502","0.0004","15.7414","0.0005","15.8302","0.0005","61.491","0.002","83.352","0.002","79.502","0.002","2485.47","0.15","200","1","200","1","","","","","","","","4","P 1","P 1","1","","","","- C45.5 H70.75 N3.25 O9.5 -","- C45.5 H70.75 N3.25 O9.5 -","- C91 H141.5 N6.5 O19 -","2","2","","Caumes, Xavier; Baldi, Arianna; Gontard, Geoffrey; Brocorens, Patrick; Lazzaroni, Roberto; Vanthuyne, Nicolas; Troufflard, Claire; Raynal, Matthieu; Bouteiller, Laurent","Tuning the structure of 1,3,5-benzene tricarboxamide self-assemblies through stereochemistry.","Chemical communications (Cambridge, England)","2016","52","91","13369","13372","10.1039/c6cc07325e","","","1.54178","CuKα","","0.0446","0.0436","","","0.1219","0.1234","","","","","","1.047","","","","has coordinates,has disorder","234578","2020-10-21","18:00:00",""
"7125203","5.94757","0.00014","9.5911","0.0002","11.4509","0.0003","83.8975","0.0016","82.015","0.0015","71.9997","0.0015","613.81","0.03","213","","213","","","","","","","","","6","P 1","P 1","1","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/N,N-dimethylformamide","","- C23 H28 Cl N5 O4 S -","- C23 H28 Cl N5 O4 S -","- C23 H28 Cl N5 O4 S -","1","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.0964","0.0851","","","0.2281","0.2643","","","","","","1.076","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125215","5.0886","0.0002","7.2518","0.0003","17.1681","0.0007","93.324","0.003","93.952","0.003","97.338","0.003","625.42","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","VCNA","","","- C24 H28 N4 O14 -","- C24 H28 N4 O14 -","- C24 H28 N4 O14 -","1","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.0812","0.0727","","","0.1927","0.2003","","","","","","1.039","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125217","5.0892","0.0003","7.5329","0.0005","19.7851","0.0012","84.757","0.004","85.752","0.004","81.727","0.004","746.03","0.08","293","2","293","","","","","","","","","4","P 1","P 1","1","","","","- C13 H18 N2 O8 -","- C13 H18 N2 O8 -","- C26 H36 N4 O16 -","2","2","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.1119","0.108","","","0.3047","0.3099","","","","","","1.078","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125679","9.7605","0.0002","10.6398","0.0003","17.7151","0.0004","94.6517","0.0018","98.1677","0.0018","90.4055","0.0018","1814.73","0.08","120","1","120","1","","","","","","","","6","P 1","P 1","1","","","","- C38 H46 Mg N3 O3.5 Si -","- C38 H46 Mg N3 O3.5 Si -","- C76 H92 Mg2 N6 O7 Si2 -","2","2","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","1.54184","CuKα","","0.0453","0.0395","","","0.0982","0.1009","","","","","","1.013","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125681","9.5675","0.0004","9.7347","0.0004","11.497","0.0003","65.663","0.003","88.065","0.003","84.019","0.003","970.28","0.07","120","1","120","1","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 F Mg N3 O5 -","- C44 H46 F Mg N3 O5 -","- C44 H46 F Mg N3 O5 -","1","1","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0271","0.0256","","","0.0618","0.0631","","","","","","1.035","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125788","8.5482","0.0016","9.8574","0.0019","10.674","0.002","82.65","0.006","67.265","0.005","68.386","0.006","771.1","0.3","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H44 O12 Si -","- C27 H44 O12 Si -","- C27 H44 O12 Si -","1","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","0.71073","MoKα","","0.1137","0.0877","","","0.2228","0.2534","","","","","","1.035","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125903","10.1681","0.0004","11.5222","0.0004","15.4679","0.0006","105.32","0.001","90.967","0.002","100.049","0.002","1717.2","0.11","296","2","296","2","","","","","","","","5","P 1","P 1","1","EIT752","","","- C36 H44 Br N O5 -","- C36 H44 Br N O5 -","- C72 H88 Br2 N2 O10 -","2","2","","Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario","Quaternary β<sup>2,2</sup>-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides.","Chemical communications (Cambridge, England)","2020","56","4","579","582","10.1039/c9cc09239k","","","0.71073","MoKα","","0.145","0.0652","","","0.1008","0.1234","","","","","","1.074","","","","has coordinates","247545","2020-10-21","18:00:00",""
"7125904","9.1974","0.0003","10.5189","0.0003","11.2152","0.0004","66.716","0.001","71.426","0.001","78.998","0.001","942.12","0.05","296","2","296","2","","","","","","","","4","P 1","P 1","1","EIT758","","","- C42 H49 N O5 -","- C42 H49 N O5 -","- C42 H49 N O5 -","1","1","","Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario","Quaternary β<sup>2,2</sup>-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides.","Chemical communications (Cambridge, England)","2020","56","4","579","582","10.1039/c9cc09239k","","","0.71073","MoKα","","0.0842","0.0513","","","0.1159","0.1335","","","","","","1.047","","","","has coordinates","247545","2020-10-21","18:00:00",""
"7126104","11.743","0.003","13.021","0.004","15.225","0.004","72.071","0.01","85.436","0.01","89.509","0.012","2207.6","1.1","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C46 H36 Cu F6 N4 O6 S2 -","- C46 H36 Cu F6 N4 O6 S2 -","- C92 H72 Cu2 F12 N8 O12 S4 -","2","2","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.0745","0.0636","","","0.1659","0.172","","","","","","1.042","","","","has coordinates","248732","2020-10-21","18:00:00",""
"7126325","12.7747","0.0006","12.7853","0.0006","13.1193","0.0006","82.101","0.001","88.764","0.001","64.259","0.001","1910.06","0.15","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C74 H63 Au B Cl6 F24 P Pt -","- C74 H63 Au B Cl6 F23.997 P Pt -","- C74 H63 Au B Cl6 F23.997 P Pt -","1","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","","0.71073","MoKα","","0.025","0.023","","","0.056","0.0568","","","","","","1.045","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126328","14.2587","0.0001","18.3783","0.0002","25.4318","0.0003","70.965","0.001","78.342","0.001","79.57","0.001","6122.15","0.11","169.99","0.11","169.99","0.11","","","","","","","","5","P 1","P 1","1","","","","- C H N O S -","- C2.93023 H2.82558 N0.395349 O0.72093 S0.0930233 -","- C252 H243 N34 O62 S8 -","86","86","","Wang, Danbo; Kan, Xiaonan; Wu, Chenyu; Gong, Yuzhen; Guo, Guangming; Liang, Tongling; Wang, Lan; Li, Zhibo; Zhao, Yingjie","Charge transfer co-crystals based on donor-acceptor interactions for near-infrared photothermal conversion.","Chemical communications (Cambridge, England)","2020","56","39","5223","5226","10.1039/d0cc01834a","","x-ray","1.54184","CuKα","","0.091","0.0853","","","0.247","0.2536","","","","","","2.08","","","","has coordinates,has disorder","252708","2020-10-21","18:00:00",""
"7126621","10.0071","0.0002","10.6965","0.0002","12.3292","0.0003","90.333","0.002","103.664","0.002","108.641","0.002","1210.36","0.05","105","1","105","2","","","","","","","","5","P 1","P 1","1","","","","- C49 H65 Br N10 O7 -","- C49 H65 Br N10 O7 -","- C49 H65 Br N10 O7 -","1","1","","Milbeo, Pierre; Simon, Matthieu; Didierjean, Claude; Wenger, Emmanuel; Aubert, Emmanuel; Martinez, Jean; Amblard, Muriel; Calmès, Monique; Legrand, Baptiste","A bicyclic unit reversal to stabilize the 12/14-helix in mixed homochiral oligoureas.","Chemical communications (Cambridge, England)","2020","56","57","7921","7924","10.1039/d0cc02902e","","","0.71073","MoKα","","0.0456","0.0383","","","0.0852","0.0895","","","","","","1.062","","","","has coordinates","254889","2020-10-21","18:00:00",""
"7126702","14.2056","0.0008","15.5349","0.0009","16.0807","0.0009","70.816","0.002","78.674","0.002","76.497","0.002","3231.2","0.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C29 H23 F12 N5 O Os P2 -","- C29 H23 F12 N5 O Os P2 -","- C116 H92 F48 N20 O4 Os4 P8 -","4","4","","Wang, Guanghui; Zhou, Zijun; Shen, Xiang; Ivlev, Sergei; Meggers, Eric","Asymmetric catalysis with a chiral-at-osmium complex.","Chemical communications (Cambridge, England)","2020","56","56","7714","7717","10.1039/d0cc03280h","","","0.71073","MoKα","","0.0677","0.0476","","","0.0831","0.0886","","","","","","1.029","","","","has coordinates","254875","2020-10-21","18:00:00",""
"7126857","23.723","0.002","4.857","0.0005","11.6968","0.001","89.841","0.006","81.637","0.006","87.168","0.006","1331.8","0.2","300","","300","","","","","","","","","5","P 1","P 1","1","","","","- C46 H40 N4 O2 S16 -","- C46 H40 N4 O2 S16 -","- C46 H40 N4 O2 S16 -","1","1","","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","","0.1474","0.0997","","","0.2713","0.3145","","","","","","1.038","","","","has coordinates,has disorder","255993","2020-10-21","18:00:00",""
"7127124","10.298","0.01","10.352","0.01","17.615","0.017","105.643","0.016","103.514","0.015","90.658","0.014","1753","3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H42 Co4 N6 O18 -","- C58 H42 Co4 N6 O18 -","- C58 H42 Co4 N6 O18 -","1","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","0.71073","MoKα","","0.1179","0.0907","","","0.2318","0.261","","","","","","1.035","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127292","6.0451","0.0005","8.3029","0.0004","9.2867","0.0005","107.436","0.005","107.421","0.007","90.517","0.006","421.8","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C20 H21 N O2 S -","1","1","","Tao, Mengna; Li, Wenbo; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.","Chemical communications (Cambridge, England)","2020","56","86","13125","13128","10.1039/d0cc04996d","","x-ray","1.54184","CuKα","","0.0674","0.0645","","","0.1717","0.1754","","","","","","1.073","","","","has coordinates","260598","2021-01-07","04:30:18",""
"7127294","10.011","0.004","13.646","0.005","16.369","0.006","66.564","0.005","72.663","0.005","78.969","0.005","1951.7","1.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C35 H35 F6 N5 O11 Ru S2 -","- C35 H35 F6 N5 O11 Ru S2 -","- C70 H70 F12 N10 O22 Ru2 S4 -","2","2","","Hirahara, Masanari; Goto, Hiroki; Yagi, Masayuki; Umemura, Yasushi","A multi-stimuli responsive ruthenium complex for catalytic water oxidation.","Chemical communications (Cambridge, England)","2020","56","84","12825","12828","10.1039/d0cc04940a","","","0.71073","MoKα","","0.1096","0.0647","","","0.0868","0.1027","","","","","","1.0033","","","","has coordinates,has disorder","260686","2021-01-07","04:53:10",""
"7127395","10.2589","0.0004","10.8028","0.0004","11.3273","0.0004","100.728","0.002","97.616","0.002","109.85","0.002","1133.8","0.08","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C56 H59 Al N2 O3 -","- C56 H59 Al N2 O3 -","- C56 H59 Al N2 O3 -","1","1","","Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe","Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.","Chemical communications (Cambridge, England)","2020","56","88","13528","13531","10.1039/d0cc05957a","","","0.71073","MoKα","","0.0651","0.0541","","","0.1322","0.1406","","","","","","1.03","","","","has coordinates","260634","2021-01-07","04:39:30",""
"7127454","10.251","0.005","11.759","0.005","11.983","0.005","92.379","0.005","91.977","0.005","91.531","0.005","1441.8","1.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C42 H48 Co2 Fe2 K2 N22 O11 -","- C42 H44 Co2 Fe2 K2 N22 O11 -","- C42 H44 Co2 Fe2 K2 N22 O11 -","1","1","","Choudhury, Anup; Pichon, Céline; Sutter, Jean-Pascal; Pamu, Dobbidi; Sarma, Bipul; Mudoi, Prashurya Pritam; Gogoi, Nayanmoni","Accessing water processable cyanido bridged chiral heterobimetallic Co(ii)-Fe(iii) one dimensional network.","Chemical communications (Cambridge, England)","2021","57","2","207","210","10.1039/d0cc05356b","","","0.71073","MoKα","","0.1551","0.0908","","","0.1838","0.2102","","","","","","1.287","","","","has coordinates","261542","2021-02-04","22:35:42",""
"7127555","10.3636","0.0009","11.322","0.001","17.7474","0.0015","80.786","0.002","73.318","0.002","89.103","0.002","1968","0.3","200","2","200","","","","","","","","","6","P 1","P 1","1","","","","- C36 H25 Br2 N3 O3 S -","- C36 H25 Br2 N3 O3 S -","- C72 H50 Br4 N6 O6 S2 -","2","2","","Wang, Wenyao; Bao, Xiaoze; Wei, Shiqiang; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Asymmetric sequential annulation/aldol process of 4-isothiocyanato pyrazolones and allenones: access to novel spiro[pyrrole-pyrazolones] and spiro[thiopyranopyrrole-pyrazolones].","Chemical communications (Cambridge, England)","2021","57","3","363","366","10.1039/d0cc07113g","","","0.71073","MoKα","","0.099","0.0541","","","0.1244","0.1401","","","","","","0.984","","","","has coordinates","261572","2021-02-04","22:48:11",""
"7127576","5.0971","0.0006","5.3649","0.0007","12.3429","0.0016","99.966","0.005","96.111","0.004","90.897","0.004","330.34","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","1","1","","Saha, Debarshi; Taily, Irshad Maajid; Naik, Sumitra; Banerjee, Prabal","Electrochemical access to benzimidazolone and quinazolinone derivatives <i>via in situ</i> generation of isocyanates.","Chemical communications (Cambridge, England)","2021","57","5","631","634","10.1039/d0cc07125k","","","0.71073","MoKα","","0.0855","0.0722","","","0.1853","0.2058","","","","","","1.066","","","","has coordinates","261534","2021-02-04","22:31:11",""
"7127765","8.9867","0.0002","11.6858","0.0003","12.4491","0.0003","77.799","0.002","74.843","0.002","78.754","0.002","1219.77","0.05","123","1","123","1","","","","","","","","6","P 1","P 1","1","","","","- C52 H50 Cl2 Li2 N6 Si2 -","- C52 H50 Cl2 Li2 N6 Si2 -","- C52 H50 Cl2 Li2 N6 Si2 -","1","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","0.71073","MoKα","","0.0477","0.0387","","","0.0807","0.085","","","","","","1.02","","","","has coordinates","260475","2021-01-04","18:31:45",""
"7127794","8.021","0.0006","9.7257","0.0008","11.0936","0.0008","81.88","0.006","81.526","0.006","66.712","0.008","782.94","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H18 F O2 P -","- C18 H18 F O2 P -","- C36 H36 F2 O4 P2 -","2","2","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0603","0.0573","","","0.1652","0.1694","","","","","","1.061","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127796","8.0197","0.0001","9.6836","0.0001","10.155","0.0002","63.873","0.002","83.678","0.001","84.07","0.001","702.42","0.02","100","","100","","","","","","","","","4","P 1","P 1","1","","(3R,4R)-4-(2-(hydroxymethyl)thiophen-3-yl)-3-phenyltetrahydrothiophen-3-ol","","- C15 H16 O2 S2 -","- C15 H16 O2 S2 -","- C30 H32 O4 S4 -","2","2","","Skrzyńska, Anna; Frankowski, Sebastian; Topolska, Aleksandra; Dyguda, Mateusz; Gao, Xin-Yue; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Enantioselective H-bond-directed vinylogous iminium ion strategy for the functionalization of vinyl-substituted heteroaryl aldehydes.","Chemical communications (Cambridge, England)","2021","57","13","1667","1670","10.1039/d0cc07765h","","x-ray","1.54184","CuKα","","0.0293","0.0293","","","0.0738","0.0738","","","","","","1.047","","","","has coordinates","262489","2021-03-05","01:20:10",""
"7127816","9.3482","0.0001","11.4823","0.0002","12.0801","0.0002","109.948","0.002","97.683","0.001","99.626","0.001","1175.98","0.04","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H66 Mg2 N4 -","- C50 H66 Mg2 N4 -","- C50 H66 Mg2 N4 -","1","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.0287","0.0278","","","0.0755","0.076","","","","","","1.029","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127829","10.7823","0.0003","11.0287","0.0003","15.3429","0.0004","107.822","0.004","91.112","0.003","107.275","0.003","1646.34","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1","P 1","1","Au(D-bordt)(OC4)","Gold(D-bornylene-1,2-dithiolate)(1,2-bis(4-butoxyphenyl)ethylene-dithiolate)","","- C32 H40 Au O2 S4 -","- C32 H40 Au O2 S4 -","- C64 H80 Au2 O4 S8 -","2","2","","Perochon, Romain; Barrière, Frédéric; Jeannin, Olivier; Piekara-Sady, Lidia; Fourmigué, Marc","A radical mixed-ligand gold bis(dithiolene) complex.","Chemical communications (Cambridge, England)","2021","57","13","1615","1618","10.1039/d0cc07602c","","x-ray","0.71073","MoKα","","0.0358","0.0301","","","0.0683","0.0713","","","","","","1.021","","","","has coordinates","262490","2021-03-05","01:20:17",""
"7128019","5.5189","0.0004","6.9129","0.0004","11.8527","0.0008","90.598","0.001","92.151","0.001","109.895","0.001","424.78","0.05","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- Ag2 Bi2 I4 O20 S2 -","- Ag2 Bi2 I4 O20 S2 -","- Ag2 Bi2 I4 O20 S2 -","1","1","","Liu, Hongming; Wu, Qingchen; Liu, Lili; Lin, Zheshuai; Halasyamani, P. Shiv; Chen, Xingguo; Qin, Jingui","AgBi(SO<sub>4</sub>)(IO<sub>3</sub>)<sub>2</sub>: aliovalent substitution induces structure dimensional upgrade and second harmonic generation enhancement.","Chemical communications (Cambridge, England)","2021","57","30","3712","3715","10.1039/d0cc07862j","","","0.71073","MoKα","","0.0368","0.0368","","","0.0905","0.0905","","","","","","1.065","","","","has coordinates","264874","2021-05-05","08:06:36",""
"7128022","14.399","0.0007","14.4137","0.0007","14.9394","0.0007","85.495","0.002","85.477","0.002","64.209","0.002","2779.6","0.2","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C58 H85 Ga2 N4 Sb -","- C58 H85 Ga2 N4 Sb -","- C116 H170 Ga4 N8 Sb2 -","2","2","","Schneider, Selina; Ivlev, Sergei; von Hänisch, Carsten","Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues.","Chemical communications (Cambridge, England)","2021","57","31","3781","3784","10.1039/d0cc08419k","","","0.71073","MoKα","","0.04","0.0316","","","0.0562","0.0588","","","","","","0.998","","","","has coordinates,has disorder","264878","2021-05-05","08:07:36",""
"7128023","14.2902","0.0012","14.298","0.0012","14.8863","0.0012","85.241","0.002","85.225","0.002","64.92","0.002","2741.4","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C58 H85 As Ga2 N4 -","- C58 H85 As Ga2 N4 -","- C116 H170 As2 Ga4 N8 -","2","2","","Schneider, Selina; Ivlev, Sergei; von Hänisch, Carsten","Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues.","Chemical communications (Cambridge, England)","2021","57","31","3781","3784","10.1039/d0cc08419k","","","0.71073","MoKα","","0.0276","0.0247","","","0.0591","0.0606","","","","","","1.019","","","","has coordinates,has disorder","264878","2021-05-05","08:07:36",""
"7128034","8.3423","0.0008","9.5634","0.0007","15.2295","0.0015","89.937","0.007","79.651","0.008","77.95","0.007","1168.08","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C27 H22 F3 O P S -","- C27 H22 F3 O P S -","- C54 H44 F6 O2 P2 S2 -","2","2","","Duan, Longhui; Wang, Zhonggui; Zhao, Kun; Gu, Zhenhua","Enantioselective preparation of atropisomeric biaryl trifluoromethylsulfanes via ring-opening of cyclic diaryliodoniums.","Chemical communications (Cambridge, England)","2021","57","32","3881","3884","10.1039/d1cc00171j","","x-ray","0.71073","MoKα","","0.0791","0.0659","","","0.1539","0.1677","","","","","","1.042","","","","has coordinates","264863","2021-05-05","08:02:16",""
"7128249","9.4904","0.0007","9.8661","0.0007","12.9696","0.0009","71.155","0.002","70.007","0.002","61.631","0.002","985.04","0.12","301","2","300.88","","","","","","","","","5","P 1","P 1","1","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C44 H44 N4 O4 S2 -","2","2","","Huang, Lin; Xie, Jia-Hao; Cai, Yue; Zheng, Chao; Hou, Xue-Long; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of polycyclic pyrrole derivatives by iridium-catalyzed asymmetric allylic dearomatization and ring-expansive migration reactions.","Chemical communications (Cambridge, England)","2021","57","44","5390","5393","10.1039/d1cc01929e","","","0.71073","MoKα","","0.086","0.0764","","","0.1843","0.2003","","","","","","1.048","","","","has coordinates","265835","2021-06-05","17:16:51",""
"7128328","8.2374","0.0002","12.4665","0.0002","13.7074","0.0003","64.328","0.002","88.439","0.002","86.714","0.002","1266.59","0.05","99.97","0.1","99.97","0.1","","","","","","","","4","P 1","P 1","1","","(2?,4?-dichlorophenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C15 H20 Cl2 O5 -","- C15 H20 Cl2 O5 -","- C45 H60 Cl6 O15 -","3","3","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.022","0.0218","","","0.0573","0.0574","","","","","","1.021","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128404","10.6491","0.0007","10.9218","0.0007","16.5496","0.0011","76.8917","0.0014","72.639","0.0014","64.8651","0.0014","1652","0.19","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H31 Br Cl N2 O2 -","- C40.5 H31 Br Cl N2 O2 -","- C81 H62 Br2 Cl2 N4 O4 -","2","2","","Zhang, Wande; Wei, Shiqiang; Wang, Wenyao; Qu, Jingping; Wang, Baomin","Catalytic asymmetric construction of C-4 alkenyl substituted pyrazolone derivatives bearing multiple stereoelements.","Chemical communications (Cambridge, England)","2021","57","53","6550","6553","10.1039/d1cc01123e","","","0.71073","MoKα","","0.0708","0.0467","","","0.1134","0.1223","","","","","","1.042","","","","has coordinates","267005","2021-07-05","16:14:11",""
"7128590","6.4512","0.0001","8.5325","0.0002","8.7429","0.0002","91.537","0.002","93.551","0.002","91.604","0.002","479.943","0.017","293","","293","","","","","","","","","4","P 1","P 1","1","","(S,E)-methyl 5-(5-((E)-(2,2-dimethylhydrazono)methyl)-1-methyl-1H-pyrrol-2-yl)-5-phenylpent-2-enoate","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","1","1","","Łukasik, Beata; Kowalska, Justyna; Frankowski, Sebastian; Albrecht, Łukasz","Vinylogous hydrazone strategy for the organocatalytic alkylation of heteroaromatic derivatives.","Chemical communications (Cambridge, England)","2021","57","51","6312","6315","10.1039/d1cc01923f","","x-ray","1.54184","CuKα","","0.035","0.0348","","","0.0924","0.0926","","","","","","1.045","","","","has coordinates","266977","2021-07-04","09:32:57",""
"7128635","8.8163","0.0003","11.2961","0.0004","12.0369","0.0004","107.789","0.002","95.854","0.002","110.117","0.002","1042.66","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H21 Cl O3 -","- C27 H21 Cl O3 -","- C54 H42 Cl2 O6 -","2","2","","Ghosh, Arghya; Barik, Shilpa; Shee, Sayan; Biju, Akkattu T.","Enantioselective synthesis of tetra-substituted tetralines and tetrahydro-indolizines by NHC-catalyzed azolium-enolate cascade.","Chemical communications (Cambridge, England)","2021","57","63","7794","7797","10.1039/d1cc03165a","","","0.71073","MoKα","","0.1051","0.0572","","","0.1141","0.1353","","","","","","0.978","","","","has coordinates","268525","2021-09-06","09:08:29",""
"7128658","5.8434","0.0002","9.9102","0.0003","17.9362","0.0005","82.413","0.001","86.455","0.001","89.466","0.001","1027.61","0.06","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C46 H50 N2 O8 -","2","2","","Hu, Yimin; Yan, Zhengyang; Shi, Wangyu; Liao, Jianning; Liu, Min; Pan, Ting; Wang, Wei; Wu, Yongjun; Hao, Xianghong; Guo, Hongchao","Copper/Lewis base cooperatively catalyzed asymmetric allylic alkylation of Morita-Baylis-Hillman carbonates with azomethine ylides.","Chemical communications (Cambridge, England)","2021","57","65","8059","8062","10.1039/d1cc02861h","","","1.54178","CuKα","","0.0281","0.0271","","","0.0667","0.0674","","","","","","1.049","","","","has coordinates","268570","2021-09-06","09:30:18",""
"7128830","15.711","0.002","19.883","0.003","20.217","0.003","80.77","0.005","68.896","0.004","70.524","0.004","5548.9","1.4","150","2","150","2","","","","","","","","3","P 1","P 1","1","","","","- C264 H270 N24 -","- C264 H270 N24 -","- C264 H270 N24 -","1","1","","Dey, Avishek; Chand, Santanu; Ghosh, Munmun; Altamimy, Monerah; Maity, Bholanath; Bhatt, Prashant; Bhat, Imtiaz; Cavallo, Luigi; Eddaoudi, Mohamed; Khashab, Niveen M.","Molecular Recognition and Adsorptive Separation of m-xylene by Trianglimine Crystals","Chemical Communications","2021","","","","","10.1039/D1CC03531B","","","0.71073","MoKα","","0.0856","0.0767","","","0.2254","0.2394","","","","","","1.052","","","","has coordinates","268091","2021-08-16","22:02:24",""
"7128831","15.649","0.008","19.895","0.011","20.237","0.011","81.409","0.015","69.174","0.014","70.838","0.014","5559","5","120","2","120","2","","","","","","","","3","P 1","P 1","1","","","","- C264 H270 N24 -","- C264 H270 N24 -","- C264 H270 N24 -","1","1","","Dey, Avishek; Chand, Santanu; Ghosh, Munmun; Altamimy, Monerah; Maity, Bholanath; Bhatt, Prashant; Bhat, Imtiaz; Cavallo, Luigi; Eddaoudi, Mohamed; Khashab, Niveen M.","Molecular Recognition and Adsorptive Separation of m-xylene by Trianglimine Crystals","Chemical Communications","2021","","","","","10.1039/D1CC03531B","","","0.71073","MoKα","","0.1969","0.0985","","","0.2409","0.284","","","","","","0.893","","","","has coordinates","268091","2021-08-16","22:02:24",""
"7128849","8.7211","0.0009","10.2273","0.0011","13.1114","0.0015","86.861","0.003","89.208","0.003","88.693","0.003","1167.3","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H56 F6 N6 Ni2 O4 S2 -","- C46 H56 F6 N6 Ni2 O4 S2 -","- C46 H56 F6 N6 Ni2 O4 S2 -","1","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0329","0.0311","","","0.0788","0.0811","","","","","","1.026","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128877","5.1578","0.0003","8.9611","0.0004","9.5418","0.0005","92.623","0.002","103.752","0.001","95.143","0.002","425.62","0.04","170","2","170.02","","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C19 H21 N O2 S -","1","1","","Wu, Xiang; Ding, Du; Zhang, Ying; Jiang, Hua-Jie; Wang, Tao; Zhao, Li-Ping","Enantioselective synthesis of 1-aminoindene derivatives <i>via</i> asymmetric Brønsted acid catalysis.","Chemical communications (Cambridge, England)","2021","57","76","9680","9683","10.1039/d1cc03568a","","","1.34139","GaKα","","0.0374","0.0368","","","0.0916","0.0922","","","","","","1.071","","","","has coordinates","269635","2021-10-06","13:54:39",""
"7128923","19.922","0.004","20.19","0.005","21.414","0.003","69.72","0.015","63.048","0.012","80.939","0.017","7202","3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C263 H287 Cl21 N16 Ni4 S2 -","- C263 H287 Cl21 N16 Ni4 S2 -","- C263 H287 Cl21 N16 Ni4 S2 -","1","1","","Nishimura, Issei; Higashino, Tomohiro; Imahori, Hiroshi","Synthesis of thiophene-fused porphyrin dimers as effective π-extended helical chromophores.","Chemical communications (Cambridge, England)","2021","57","75","9606","9609","10.1039/d1cc04215g","","","0.71075","MoKα","","0.2511","0.1317","","","0.282","0.3652","","","","","","1.047","","","","has coordinates,has disorder","269640","2021-10-06","13:56:10",""
"7129005","4.6849","0.0008","5.6677","0.001","15.258","0.003","98.838","0.006","91.269","0.006","93.319","0.006","399.46","0.13","100","","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C16 H13 F6 N5 O -","- C16 H13 F6 N5 O -","- C16 H13 F6 N5 O -","1","1","","You, Tingjie; Zeng, Si-Hao; Fan, Jianqiang; Wu, Liangliang; Kang, Fangyuan; Liu, Yungen; Che, Chi-Ming","A soluble iron(II)-phthalocyanine-catalyzed intramolecular C(sp<sup>3</sup>)-H amination with alkyl azides.","Chemical communications (Cambridge, England)","2021","57","82","10711","10714","10.1039/d1cc04573c","","x-ray","0.71073","MoKα","","0.049","0.0377","","","0.0906","0.0949","","","","","","1.03","","","","has coordinates","270400","2021-11-06","19:00:17",""
"7129270","9.4128","0.0003","9.5763","0.0004","26.1896","0.001","92.004","0.001","96.554","0.001","115.774","0.001","2102.51","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H34 O4 P2 Si -","- C48 H34 O4 P2 Si -","- C96 H68 O8 P4 Si2 -","2","2","","Yang, Lei; Xu, Wen-Qiang; Liu, Tao; Wu, Yichen; Wang, Bi-Qin; Wang, Peng","Concise Synthesis and Application of Enantiopure Spirobiphenoxasilin-Diol and Its Related Chiral Ligands","Chemical Communications","2021","","","","","10.1039/D1CC05576C","","","0.71073","MoKα","","0.0959","0.0672","","","0.1752","0.1965","","","","","","1.031","","","","has coordinates","270747","2021-11-18","22:56:01",""
"7129369","10.0702","0.0004","11.9626","0.0008","12.1903","0.0007","117.754","0.006","91.918","0.004","96.198","0.004","1286.11","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H23 N O3 S -","- C31 H23 N O3 S -","- C62 H46 N2 O6 S2 -","2","2","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","","1.54184","CuKα","","0.0559","0.0494","","","0.1247","0.1344","","","","","","1.025","","","","has coordinates","271275","2021-12-08","23:00:48",""
"7129872","8.83471","0.00017","11.9486","0.0003","15.9837","0.0004","69.204","0.002","78.6911","0.0018","75.309","0.002","1515.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C38 H25 N3 O6 -","- C38 H25 N3 O6 -","- C76 H50 N6 O12 -","2","2","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","x-ray","1.54184","CuKα","","0.0362","0.0354","","","0.0946","0.0957","","","","","","1.024","","","","has coordinates,has disorder","273814","2022-03-18","22:55:12",""
"7129953","18.8037","0.0015","22.504","0.002","27.891","0.002","86.62","0.003","77.207","0.002","75.033","0.002","11118.9","1.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C110 H146 N22 O37 P6 -","- C110 H146 N22 O37 P6 -","- C330 H438 N66 O111 P18 -","3","3","","Badjic, Jovica D.; Xie, Han; Finnegan, Tyler J.; Liyana Gunawardana, Vageesha W.; Moore, Curtis; Xie, William","A Double-Decker Cage for Allosteric Encapsulation of ATP","Chemical Communications","2022","","","","","10.1039/D2CC00927G","","x-ray","0.71073","MoKα","K-L~3~","0.1155","0.077","","","0.194","0.2244","","","","","","0.995","","","","has coordinates,has disorder","274450","2022-04-11","21:54:37",""
"7129984","8.2282","0.0007","9.5081","0.0008","10.7126","0.0008","101.997","0.002","91.033","0.002","111.831","0.002","756.79","0.11","150","0.1","150","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H26 F6 N P3 -","- C34 H26 F6 N P3 -","- C34 H26 F6 N P3 -","1","1","","Tian, Jiaxin; Cordier, Marie; Bour, Christophe; Auffrant, Audrey; Gandon, Vincent","A Cyclic Divalent N(I) Species Isoelectronic to Carbodiphosphoranes","Chemical Communications","2022","","","","","10.1039/D2CC01637K","","","0.71069","MoKα","","0.0388","0.0312","","","0.0739","0.0774","","","","","","1.008","","","","has coordinates","274561","2022-04-18","21:52:56",""
"7130515","11.3514","0.0003","13.3056","0.0004","14.4521","0.0004","72.846","0.002","79.748","0.002","68.951","0.002","1940.17","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C88 H76 N4 O12 S4 -","- C88 H76 N4 O12 S4 -","- C88 H76 N4 O12 S4 -","1","1","","Tan, Qingfa; Chen, Qianping; Zhu, Zitong; Liu, Xiaohua","Asymmetric organocatalytic sulfenylation for the construction of a diheteroatom-bearing tetrasubstituted carbon centre","Chemical Communications","2022","","","","","10.1039/D2CC03443C","","","1.54178","CuKα","","0.0418","0.0359","","","0.0751","0.0787","","","","","","1.066","","","","has coordinates,has disorder","277213","2022-08-12","21:50:49",""
"7130561","10.2979","0.0005","17.4037","0.001","17.5627","0.0009","69.825","0.002","80.955","0.002","81.076","0.002","2900.4","0.3","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C48 H34 O2 -","- C48 H34 O2 -","- C144 H102 O6 -","3","3","","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","","0.1391","0.1096","","","0.3006","0.3364","","","","","","1.27","","","","has coordinates","277323","2022-08-19","21:54:54",""
"7130681","4.8117","0.0014","5.783","0.0018","13.449","0.004","84.087","0.007","87.255","0.007","83.055","0.007","369.27","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H16 Cl2 N2 O2 -","- C15 H16 Cl2 N2 O2 -","- C15 H16 Cl2 N2 O2 -","1","1","","Xu, Xinyue; Chen, Zehang; Lei, yunxiang; Sun, Xinyu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo","Guest-activated Quaternary Ammonium Salt Hosts Emit Room Temperature Phosphorescence","Chemical Communications","2022","","","","","10.1039/D2CC04521D","","","0.71073","MoKα","","0.0615","0.0403","","","0.0679","0.0775","","","","","","1.007","","","","has coordinates","277635","2022-09-05","21:56:05",""
"7130774","17.0555","0.0007","21.6567","0.0008","23.7689","0.0009","81.058","0.001","79.58","0.001","66.891","0.001","7907.1","0.5","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H52 N10 O S3 -","- C34 H52 N10 O S3 -","- C272 H416 N80 O8 S24 -","8","8","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Butcher, R. J.; Angamuthu, Raja","Triazine based eccentric Piedfort units towards a single source hydrogen bonded network","Chemical Communications","2022","","","","","10.1039/D2CC03327E","","","0.71073","MoKα","","0.1826","0.0824","","","0.1148","0.1431","","","","","","0.989","","","","has coordinates,has disorder","278196","2022-09-26","21:55:28",""
"7130788","5.8297","0.0007","14.516","0.0018","17.059","0.002","80.5156","0.0016","88.5593","0.0016","80.2619","0.0016","1403.3","0.3","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H48 Cl12 N4 O12 -","- C44 H48 Cl12 N4 O12 -","- C44 H48 Cl12 N4 O12 -","1","1","","Toda, Yasunori; Shiokawa, Ryota; Iwasaki, Masaya; Yamaguchi, Daisuke; Kawamura, Keisuke; Sukegawa, Kimiya; Suga, Hiroyuki","Tetraarylphosphonium salt-catalyzed formal [3+2] cycloaddition between epoxides and trichloroacetonitrile for the synthesis of β-amino alcohol derivatives.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03782c","","","0.71073","MoKα","","0.052","0.0385","","","0.0809","0.0876","","","","","","1.25","","","","has coordinates","278333","2022-10-04","21:53:39",""
"7131057","3.855","0.0004","6.9039","0.0007","11.2145","0.0011","91.025","0.002","93.364","0.003","96.825","0.004","295.75","0.05","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C15 H9 N O4 -","1","1","","Duan, Wenzeng; Liu, Wenjing; Liu, Houting; Ji, Honghan; Huo, Yanmin; Wang, Huaiwei; Gong, Shuwen","AIE-active aurones for circularly polarized luminescence and trace water detection.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05399c","","","0.71073","MoKα","","0.0961","0.0885","","","0.2224","0.2301","","","","","","1.081","","","","has coordinates","279654","2022-11-30","22:55:49",""
"7131114","13.1002","0.0002","14.6924","0.0002","15.1253","0.0002","67.479","0.002","89.67","0.001","73.051","0.002","2553.86","0.08","100.01","0.13","100.01","0.13","","","","","","","","6","P 1","P 1","1","","","","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","1","1","","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","","0.0565","0.0494","","","0.1343","0.1405","","","","","","1.106","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131115","13.0912","0.0003","14.717","0.0004","15.1448","0.0004","67.337","0.003","89.583","0.002","73.074","0.002","2557.66","0.13","100","0.13","100","0.13","","","","","","","","6","P 1","P 1","1","","","","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","1","1","","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","","0.0655","0.062","","","0.1702","0.1742","","","","","","1.077","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131116","17.4057","0.0002","21.3759","0.0003","22.6058","0.0003","89.675","0.001","75.519","0.001","70.362","0.001","7641.52","0.18","100","0.13","100","0.13","","","","","","","","6","P 1","P 1","1","","","","- C144 H166 Eu2 N4 O26 Ti4 -","- C144 H166 Eu2 N4 O26 Ti4 -","- C288 H332 Eu4 N8 O52 Ti8 -","2","2","","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","","0.0348","0.032","","","0.0808","0.0819","","","","","","1.073","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131117","16.4653","0.0001","18.5669","0.0001","26.306","0.0002","76.758","0.001","81.871","0.001","78.623","0.001","7635.24","0.09","100","0.13","100","0.13","","","","","","","","6","P 1","P 1","1","","","","- C144 H166 Eu2 N4 O26 Ti4 -","- C144 H166 Eu2 N4 O26 Ti4 -","- C288 H332 Eu4 N8 O52 Ti8 -","2","2","","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","","0.0528","0.0473","","","0.1205","0.1235","","","","","","1.088","","","","has coordinates","283138","2023-05-05","00:42:20",""
"7131353","5.9","0.0004","19.5951","0.0016","20.0766","0.0017","107.678","0.004","94.661","0.004","94.132","0.004","2192.7","0.3","100","2","100","","","","","","","","","4","P 1","P 1","1","","HBC-3BO","","- C114 H105 B3 O6 -","- C114 H105 B3 O6 -","- C114 H105 B3 O6 -","1","1","","Guo, Jiaxiang; Zhang, Tianyu; Li, Zeyi; Ye, Kaiqi; Wang, Yue; Dou, Chuandong","Distorted B/O-containing nanographenes with tunable optical properties.","Chemical communications (Cambridge, England)","2023","59","18","2644","2647","10.1039/d2cc06376j","","","0.71073","MoKα","","0.1377","0.0992","","","0.2498","0.2725","","","","","","1.0761","","","","has coordinates","281183","2023-03-01","07:45:27",""
"7131395","13.0159","0.0003","15.5134","0.0004","27.2898","0.0008","89.942","0.002","86.298","0.002","76.288","0.002","5341.6","0.2","99.99","0.1","100","","","","","","","","","8","P 1","P 1","1","","","","- C79 H140 Bi10 Ga K3 N6 Nb2 O18 -","- C75.5 H136 Bi10 Ga K3 N6 Nb2 O18 -","- C151 H272 Bi20 Ga2 K6 N12 Nb4 O36 -","2","2","","Qiao, Lei; Yang, Tao; Frenking, Gernot; Sun, Zhong-Ming","[Ga@Bi<sub>10</sub>(NbMes)<sub>2</sub>]<sup>3-</sup>: a linear Nb-Ga<sup>I</sup>-Nb filament coordinated by a bismuth cage.","Chemical communications (Cambridge, England)","2023","59","27","4024","4027","10.1039/d3cc00631j","","","1.54184","CuKα","","0.0618","0.0516","","","0.1172","0.1236","","","","","","1.026","","","","has coordinates,has disorder","282262","2023-04-04","09:39:54",""
"7131474","7.8221","0.0002","8.3335","0.0002","16.8477","0.0003","88.532","0.002","83.279","0.002","84.899","0.002","1086.23","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C22 H23.6 I N3 O4.2 -","- C22 H23.6 I N3 O4.2 -","- C44 H47.2 I2 N6 O8.4 -","2","2","","Mattila, Milla; Rissanen, Kari; Ward, Jas S.","Chiral carbonyl hypoiodites.","Chemical communications (Cambridge, England)","2023","59","31","4648","4651","10.1039/d3cc00259d","","x-ray","1.54184","CuKα","","0.0242","0.0237","","","0.0606","0.0614","","","","","","1.046","","","","has coordinates,has disorder","283094","2023-05-05","00:26:25",""
"7131606","11.0621","0.0006","13.6834","0.0007","15.7489","0.0008","77.7324","0.0008","71.3068","0.0014","68.6923","0.0013","2091.27","0.19","183","2","183","2","","","","","","","","6","P 1","P 1","1","","","","- C88 H86 Cl3 N9 O18 Zn2 -","- C88 H86 Cl3 N9 O18 Zn2 -","- C88 H86 Cl3 N9 O18 Zn2 -","1","1","","Penasa, Roberto; Begato, Federico; Licini, Giulia; Wurst, Klaus; Abbate, Sergio; Longhi, Giovanna; Zonta, Cristiano","Fluorescence detected circular dichroism (FDCD) of a stereodynamic probe.","Chemical communications (Cambridge, England)","2023","59","44","6714","6717","10.1039/d3cc01249b","","","0.71073","MoKα","","0.0468","0.0418","","","0.0977","0.1007","","","","","","1.034","","","","has coordinates","284168","2023-06-05","03:29:51",""
"7131710","5.06945","0.00011","9.75039","0.00014","19.4424","0.0003","85.4911","0.0012","88.8333","0.0015","77.8317","0.0015","936.51","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C34 H48 N8 O12 -","2","2","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0513","0.043","","","0.1084","0.1156","","","","","","1.062","","","","has coordinates,has disorder","284853","2023-07-05","08:58:59",""
"7131712","5.0665","0.0001","9.7541","0.0002","19.4423","0.0003","85.388","0.002","88.841","0.001","77.804","0.002","936.09","0.03","99.96","0.12","99.96","0.12","","","","","","","","4","P 1","P 1","1","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C34 H48 N8 O12 -","2","2","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0507","0.0443","","","0.1177","0.1243","","","","","","1.037","","","","has coordinates,has disorder","284853","2023-07-05","08:59:42",""
"7131736","8.022","0.0001","8.2914","0.0001","10.1712","0.0001","76.898","0.001","85.404","0.001","62.195","0.001","582.577","0.013","100","","100","","","","","","","","","3","P 1","P 1","1","","tert-butyl 2-((R)-((R)-2-formyl-3-phenyl-1H-inden-1-yl)(phenyl)methyl)acrylate","","- C30 H28 O3 -","- C30 H28 O3 -","- C30 H28 O3 -","1","1","","Cieśliński, Adam; Frankowski, Sebastian; Albrecht, Łukasz","Pentaenolate activation in the organocatalytic allylic alkylation of indene-2-carbaldehydes.","Chemical communications (Cambridge, England)","2023","59","49","7655","7658","10.1039/d3cc00900a","","x-ray","1.54184","CuKα","","0.0219","0.0219","","","0.0572","0.0573","","","","","","1.033","","","","has coordinates","284873","2023-07-05","09:14:03",""
"7132160","7.7766","0.0004","10.4591","0.0005","11.6939","0.0006","63.794","0.002","86.998","0.002","89.877","0.002","851.97","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","N-((1S,2S)-2-hydroxy-1-phenylpent-4-en-1-yl)-4-methylbenzenesulfonamide","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C36 H42 N2 O6 S2 -","2","2","","Kim, Jae Yeon; Davies, Thomas Q.; Fuerstner, Alois","Aminoalcohol derivatives by nickel-catalyzed enantioselective coupling of imines and dienol ethers","Chemical Communications","2023","","","","","10.1039/D3CC04582J","","","0.71073","Mo-Kα","","0.0268","0.0261","","","0.0704","0.0708","","","","","","1.083","","","","has coordinates","286591","2023-09-28","21:56:37",""
"7132269","5.356","0.0002","10.9666","0.0004","11.071","0.0004","78.447","0.001","76.36","0.001","89.992","0.001","618.38","0.04","100","","100","","","","","","","","","4","P 1","P 1","1","","HL8","","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","1","1","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0442","0.0394","","","0.0931","0.0962","","","","","","1.042","","","","has coordinates","287145","2023-10-27","21:55:35",""
"7132319","9.728","0.0014","9.9056","0.0015","17.743","0.003","86.808","0.004","76.707","0.004","75.775","0.004","1612.9","0.4","298","2","298","2","","","","","","","","6","P 1","P 1","1","Toluensulfonamide Chlorobenzylsulfonamide","","","- C6.6 H7.81 Cl0.4 N O2 S -","- C6.605 H7.815 Cl0.395 N O2 S -","- C52.84 H62.52 Cl3.16 N8 O16 S8 -","8","8","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.0829","0.0594","","","0.168","0.195","","","","","","1.044","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132343","13.2375","0.0003","13.737","0.0003","14.5028","0.0003","97.822","0.002","104.257","0.002","117.863","0.002","2160.41","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C94 H80 Br2 N2 O14 S2 -","- C94 H80 Br2 N2 O14 S2 -","- C94 H80 Br2 N2 O14 S2 -","1","1","","Wang, Ze-Shu; Xu, Hao-Jin; Chen, Yang-Bo; Ye, Long-Wu; Zhou, Bo; Qian, Peng-Cheng","Copper-catalyzed atroposelective formal [4+1] annulation of 1,2-diketones with vinyl cations","Chemical Communications","2023","","","","","10.1039/D3CC04817A","","x-ray","1.54184","CuKα","","0.0384","0.0375","","","0.0964","0.0973","","","","","","1.028","","","","has coordinates","287622","2023-11-15","22:55:38",""
"7132375","17.4039","0.0012","19.9901","0.0014","25.7764","0.0017","67.834","0.002","80.669","0.003","76.916","0.003","8060.1","1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C206.25 H152 Cl2 N4 O8 P4 Rh2 -","- C206.25 H152 Cl2 N4 O8 P4 Rh2 -","- C412.5 H304 Cl4 N8 O16 P8 Rh4 -","2","2","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","","0.71073","MoKα","","0.072","0.051","","","0.1072","0.117","","","","","","1.036","","","","has coordinates","287692","2023-11-20","22:57:54",""
"7132537","9.792","0.007","10.064","0.007","12.02","0.008","96.899","0.017","93.763","0.019","95.349","0.014","1167.3","1.4","150.02","","150.02","","","","","","","","","7","P 1","P 1","1","","","","- C41 H45 Cl6 Ga N2 O4 P2 -","- C41 H45 Cl6 Ga N2 O4 P2 -","- C41 H45 Cl6 Ga N2 O4 P2 -","1","1","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","0.71073","MoKα","","0.0863","0.057","","","0.1295","0.1445","","","","","","1.0272","","","","has coordinates,has disorder","289330","2024-02-04","11:04:16",""
"7132595","4.7109","0.0004","5.1887","0.0003","25.0379","0.0015","84.32","0.005","88.126","0.006","87.821","0.006","608.31","0.07","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C24 H22 I2 N4 O4 S -","- C24 H22 I2 N4 O4 S -","- C24 H22 I2 N4 O4 S -","1","1","","Cao, Jinlian; Weng, Peimin; Qi, Yuanwei; Lin, Kexin; Yan, Xiaosheng","Noncovalent interaction network of chalcogen, halogen and hydrogen bonds for supramolecular β-sheet organization.","Chemical communications (Cambridge, England)","2024","60","11","1484","1487","10.1039/d3cc05539f","","x-ray","1.54184","CuKα","","0.0703","0.0692","","","0.1922","0.1933","","","","","","1.067","","","","has coordinates","289384","2024-02-04","11:23:07",""
"7132955","12.3589","0.0002","12.8347","0.0003","22.1604","0.0003","79.4229","0.0015","87.2486","0.0013","87.6565","0.0016","3449.59","0.11","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C172 H172 N8 O8 -","- C172 H172 N8 O8 -","- C172 H172 N8 O8 -","1","1","","Ishikawa, Shuhei; Sakamaki, Daisuke; Gon, Masayuki; Tanaka, Kazuo; Fujiwara, Hideki","Solvent-free synthesis and chiroptical properties of a C-N axially chiral cruciform dimer of benzo[<i>b</i>]phenoxazine.","Chemical communications (Cambridge, England)","2024","60","37","4946","4949","10.1039/d4cc00977k","","","1.54187","CuKα","","0.0571","0.0518","","","0.1398","0.147","","","","","","1.062","","","","has coordinates","291511","2024-05-05","00:49:55",""
"7132956","12.3589","0.0003","12.8455","0.0003","22.1587","0.0004","79.4344","0.0017","87.2227","0.0016","87.6319","0.0019","3452.24","0.13","99","","99","","","","","","","","","4","P 1","P 1","1","","","","- C86 H86 N4 O4 -","- C86 H86 N4 O4 -","- C172 H172 N8 O8 -","2","2","","Ishikawa, Shuhei; Sakamaki, Daisuke; Gon, Masayuki; Tanaka, Kazuo; Fujiwara, Hideki","Solvent-free synthesis and chiroptical properties of a C-N axially chiral cruciform dimer of benzo[<i>b</i>]phenoxazine.","Chemical communications (Cambridge, England)","2024","60","37","4946","4949","10.1039/d4cc00977k","","","1.54187","CuKα","","0.063","0.0575","","","0.1568","0.1611","","","","","","1.051","","","","has coordinates","291511","2024-05-05","00:49:55",""
"7150105","15.44","0.002","15.483","0.002","17.971","0.003","112.852","0.003","99.09","0.003","103.334","0.003","3702.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C108 H192 N4 O88 -","- C108 H160 N4 O88 -","- C108 H160 N4 O88 -","1","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1346","0.082","","","0.2006","0.2431","","","","","","1.051","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150128","8.5216","0.0013","8.6643","0.0013","10.4987","0.0016","92.857","0.003","96.328","0.003","113.673","0.003","701.82","0.19","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C31 H38 O9 -","1","1","","Loeb, Stephen J.; Tramontozzi, David A.","Branched [n]rotaxanes (n = 2-4) from multiple dibenzo-24-crown-8 ether wheels and 1,2-bis(4,4'-dipyridinium)ethane axles.","Organic & biomolecular chemistry","2005","3","8","1393","1401","10.1039/b418772e","","","0.71073","MoKα","","0.1038","0.0965","","","0.2346","0.2429","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150149","5.871","0.003","9.395","0.004","16.257","0.007","87.588","0.007","86.434","0.007","81.819","0.007","885.4","0.7","150","2","150","2","","","","","","","","3","P 1","P 1","1","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1- carboxylate","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1-carboxylate","","- C16 H22 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","2","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.1069","0.0671","","","0.1686","0.1891","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150172","5.108","0.007","5.71","0.007","14.903","0.016","79.659","0.01","81.128","0.01","89.62","0.01","422.4","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","1","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.067","0.052","","0.1329","0.1146","","","","1.109","1.165","1.165","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150319","5.8851","0.0013","10.029","0.002","12.416","0.003","112.711","0.004","91.376","0.004","97.897","0.004","667.2","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H35 N O6 -","- C29 H35 N O6 -","- C29 H35 N O6 -","1","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.1821","0.0891","","","0.1994","0.2349","","","","","","0.879","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150358","7.955","0.0002","12.398","0.0004","18.035","0.0004","98.98","0.002","99.526","0.002","101.012","0.002","1689.22","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","2',3'-O-bis(triisopropylsilyl)-guanosine","2',3'-O-bis(triisopropylsilyl)-guanosine","","- C28 H53 N5 O5 Si2 -","- C28 H53 N5 O5 Si2 -","- C56 H106 N10 O10 Si4 -","2","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","","0.0883","0.0857","","","0.2408","0.2496","","","","","","1.056","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150415","5.104","0.0015","9.469","0.003","13.78","0.004","80.141","0.005","86.042","0.005","89.932","0.005","654.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaAla-NHMe","","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C20 H40 N4 O6 -","2","2","","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","","0.0544","0.0494","","","0.1359","0.1403","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150420","5.989","0.002","6.651","0.002","8.661","0.003","70.749","0.005","77.415","0.005","86.976","0.005","317.81","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaPro-OH","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C11 H19 N O4 -","1","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","","0.0589","0.0566","","","0.1641","0.1666","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150444","11.2537","0.0002","13.9426","0.0002","28.9064","0.0005","83.0511","0.0006","88.3274","0.0005","82.8675","0.0009","4466.96","0.13","172","","","","","","","","","","Diederich Group","6","P 1","P 1","1","","","","- C24 H38 N2 O3 S Si2 -","- C24 H38 N2 O3 S Si2 -","- C144 H228 N12 O18 S6 Si12 -","6","6","","Convertino, Vito; Manini, Peter; Schweizer, W. Bernd; Diederich, François","First asymmetric synthesis of a differentially silyl-protected tris(alkynyl)methyl methyl ether.","Organic & biomolecular chemistry","2006","4","7","1206","1208","10.1039/b601380e","","","0.71073","MoKα","","0.0827","0.0724","","","0.1961","0.2102","","","","","","1.625","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150498","8.962","0.002","8.981","0.002","19.587","0.004","82.32","0.02","88.22","0.02","66.69","0.02","1434.4","0.6","298.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C33 H32 O7 -","- C33 H32 O7 -","- C66 H64 O14 -","2","2","","Yamauchi, Satoshi; Uno, Hidemitsu","Syntheses of the stereoisomers of neolignans morinol C and D","Organic & Biomolecular Chemistry","2003","1","8","1323","","10.1039/b211801g","","","0.7107","MoKa","","","0.0581","","","","0.1486","","","","","","1.207","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150637","10.98","0.005","13.774","0.005","15.173","0.005","68.76","0.005","85.232","0.005","81.541","0.005","2114.5","1.4","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H59 N5 O3 -","- C48 H59 N5 O3 -","- C96 H118 N10 O6 -","2","2","","Hiscock, Jennifer R.; Caltagirone, Claudia; Light, Mark E.; Hursthouse, Michael B.; Gale, Philip A.","Fluorescent carbazolylurea anion receptors","Organic & Biomolecular Chemistry","2009","7","9","1781","1783","10.1039/b900178f","","","0.71069","MoKα","","0.119","0.0661","","","0.1368","0.1589","","","","","","1.028","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150652","6.1541","0.0012","7.9492","0.0016","8.6988","0.0017","71.93","0.03","70.89","0.03","83","0.03","382.17","0.16","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C15 H23 N O5 -","1","1","","Mathieson, Jennifer E.; Crawford, James J.; Schmidtmann, Marc; Marquez, Rodolfo","Fast and efficient one step synthesis of dienamides","Organic & Biomolecular Chemistry","2009","7","10","2170","2175","10.1039/b901797f","","","0.71073","MoKα","","0.0362","0.0345","","","0.0933","0.095","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150714","6.2295","0.0004","11.8164","0.0007","12.8744","0.0008","84.547","0.001","86.582","0.001","76.412","0.001","916.31","0.1","173","2","173","2","","","","","","","","4","P 1","P 1","1","08084","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C42 H45 N3 O6 -","3","3","","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","","0.0424","0.032","","","0.0732","0.0793","","","","","","1.038","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150888","4.675","0.002","9.497","0.002","10.809","0.003","76.78","0.02","81.59","0.03","77.55","0.02","453.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C19 H24 N4 O2 -","- C19 H24 N4 O2 -","- C19 H24 N4 O2 -","1","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","1.5406","","","0.0714","0.0461","","","0.1039","0.1316","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151140","7.3052","0.0009","13.9881","0.0018","17.435","0.002","70.603","0.002","87.747","0.002","84.239","0.002","1672","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 Cl N O5 -","- C18 H20 Cl N O5 -","- C72 H80 Cl4 N4 O20 -","4","4","","Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.","Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.","Organic & biomolecular chemistry","2007","5","18","2983","2991","10.1039/b707576f","","","0.71073","MoKα","","0.1222","0.0977","","","0.2467","0.2706","","","","","","1.047","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151160","10.79","0.004","10.8","0.003","13.163","0.004","96.79","0.03","106","0.03","105.9","0.03","1386.6","0.9","150","","150","","","","","","","","","4","P 1","P 1","1","8-((1'',10'''-phenantroline-2''-yl)phenyl)-2'-deoxyadenosine","8-[(1'',10'''-phenantroline-2''-yl]phenyl]-2'-deoxyadenosine","","- C28 H23 N7 O3 -","- C28 H22.5 N7 O3 -","- C56 H45 N14 O6 -","2","2","","Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.","Organic & biomolecular chemistry","2007","5","17","2849","2857","10.1039/b709245h","","x-ray","1.54184","CuKα","","0.0894","0.0576","","0.092","0.0712","0.0712","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151161","13.291","0.005","13.669","0.005","16.242","0.005","89.02","0.03","71.32","0.03","89.82","0.04","2794.9","1.8","150","","150","","","","","","","","","7","P 1","P 1","1","8((1'',10'''-phenantroline-2''-yl)phenyl-(bis (2,2')- bipyridine)ruthenium)-2'-deoxyadenosine-dihexafluorophosphate","8{(1'',10'''-phenantroline-2''-yl)phenyl-(bis [2,2']-bipyridine)ruthenium}-2'-deoxyadenosine- dihexafluorophosphate","","- C48 H38 F12 N11 O3 P2 Ru2 -","- C48 H37.5 F12 N11 O3 P2 Ru -","- C96 H75 F24 N22 O6 P4 Ru2 -","2","2","","Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.","Organic & biomolecular chemistry","2007","5","17","2849","2857","10.1039/b709245h","","x-ray","1.54184","CuKα","","0.0727","0.0585","","0.0778","0.0689","0.0689","","","","","","1.1081","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151190","11.4449","0.0002","11.8","0.0002","14.6478","0.0002","71.901","0.0006","67.6483","0.0007","76.207","0.0008","1722.68","0.05","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C36 H51 N O3 Si -","- C36 H51 N O3 Si -","- C72 H102 N2 O6 Si2 -","2","2","","Cailleau, Thaïs; Cooke, Jason W. B.; Davies, Stephen G.; Ling, Kenneth B.; Naylor, Alan; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta-amino-gamma-substituted-gamma-butyrolactones: double diastereoselective conjugate addition of homochiral lithium amides to homochiral alpha,beta-unsaturated esters.","Organic & biomolecular chemistry","2007","5","24","3922","3931","10.1039/b712937h","","","0.71073","MoKα","","0.0847","0.0668","","0.103","0.0822","0.0822","","","","","","1.1046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151191","9.593","0.0011","10.5494","0.0013","13.618","0.002","76.415","0.002","85.266","0.002","81.798","0.002","1324.2","0.3","301","1","","","","","","","","","","6","P 1","P 1","1","","","","- C27 H28 Br N2 O3 Re -","- C27 H28 Br N2 O3 Re -","- C54 H56 Br2 N4 O6 Re2 -","2","2","","Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun","Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.","Organic & biomolecular chemistry","2007","5","23","3859","3864","10.1039/b712995e","","","0.71073","MoKα","","","0.028","","","","0.031","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151201","7.986","0.003","8.7928","0.0016","11.254","0.003","89.389","0.019","82.07","0.02","67.49","0.02","722.3","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","2","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.054","0.0432","","","0.0912","0.0999","","","","","","1.114","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151234","8.8735","0.0002","9.7635","0.0003","11.248","0.0003","89.749","0.002","79.982","0.002","64.9723","0.0011","866.9","0.04","190","","190","","","","","","","","","4","P 1","P 1","1","","","","- C16 H29 N O4 -","- C16 H29 N O4 -","- C32 H58 N2 O8 -","2","2","","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","","0.0497","0.0369","","0.0482","0.038","0.038","","","","","","1.1334","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151257","9.499","0.002","10.601","0.003","11.958","0.003","113.345","0.003","98.08","0.003","103.188","0.003","1039.9","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)- 2,2,2-trifluoro-N-(1-phenylethyl)acetamide","","- C18 H21 F6 N O4 -","- C18 H21 F6 N O4 -","- C36 H42 F12 N2 O8 -","2","2","","Hayman, Colin M.; Larsen, David S.; Simpson, Jim; Bailey, Karl B.; Gill, Gurmit Singh","A stereoselective synthesis of 6,6,6-trifluoro-L-daunosamine and 6,6,6-trifluoro-L-acosamine.","Organic & biomolecular chemistry","2006","4","14","2794","2800","10.1039/b606055b","","","0.71073","MoKα","","0.0361","0.0312","","","0.0779","0.08","","","","","","1.001","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151265","8.4713","0.0003","8.5479","0.0003","17.4621","0.0006","83.267","0.002","83.693","0.002","74.518","0.002","1206.09","0.07","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 N3 O2 P -","- C29 H24 N3 O2 P -","- C58 H48 N6 O4 P2 -","2","2","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0967","0.0696","","","0.1647","0.186","","","","","","1.106","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151266","5.8939","0.0002","8.5144","0.0003","11.3355","0.0004","82.108","0.002","87.448","0.002","82.337","0.002","558.23","0.03","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H29 O4 P -","- C23 H29 O4 P -","- C23 H29 O4 P -","1","1","","Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart","Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.","Organic & biomolecular chemistry","2006","4","16","3113","3116","10.1039/b606879k","","","0.71073","MoKα","","0.0368","0.0351","","","0.0962","0.0978","","","","","","1.14","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151273","9.384","0.001","9.969","0.001","12.623","0.001","81.56","0.01","89.69","0.01","71.13","0.01","1104.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H25 F6 N3 O -","- C21 H25 F6 N3 O -","- C42 H50 F12 N6 O2 -","2","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1332","0.0672","","","0.1491","0.176","","","","","","1.003","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151304","5.8431","0.0012","7.9668","0.0017","9.1733","0.0019","114.831","0.003","97.043","0.003","99.449","0.003","373.43","0.14","293","2","293","2","","","","","","","","4","P 1","P 1","1","pivaloyl-prolyl-glycyl-N-methyl amide","pivaloyl-prolyl-glycyl-N-methyl amide","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","1","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0369","0.0365","","","0.0979","0.0983","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151312","7.284","0.003","9.462","0.003","18.426","0.006","76.24","0.005","84.707","0.006","68.069","0.005","1144.2","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","2","","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","","0.0826","0.0538","","","0.1255","0.1422","","","","","","1","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151550","5.7655","0.0003","9.7432","0.0004","19.338","0.001","83.041","0.005","85.348","0.006","85.954","0.004","1072.72","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H36 Ho0 O6 -","- C19 H36 O6 -","- C38 H72 O12 -","2","2","","Cuzzupe, Anthony N.; Florio, Romina Di; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of the phospholipase A2 inhibitors (?)-cinatrin C1 and (+)-cinatrin C3","Organic & Biomolecular Chemistry","2003","1","20","3572","","10.1039/b308028e","","","1.5418","CuKα","","0.0633","0.0398","","","0.0909","0.1033","","","","","","1.018","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151609","5.2672","0.0014","12.0311","0.0014","17.196","0.002","104.049","0.009","98.288","0.015","99.018","0.015","1025","0.3","290","2","290","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H25 N O2 Se -","- C22 H25 N O2 Se -","- C44 H50 N2 O4 Se2 -","2","2","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0362","0.0325","","","0.0712","0.0735","","","","","","1.097","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151706","5.3658","0.0011","10.1748","0.0018","10.905","0.002","82.918","0.011","88.385","0.011","78.119","0.012","578.17","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","1","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.1794","0.095","","","0.2661","0.3022","","","","","","0.921","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151823","10.4109","0.0005","11.0028","0.0004","11.3302","0.0005","106.305","0.002","94.754","0.002","103.828","0.002","1193.8","0.09","302","","302","","","","","","","","","4","P 1","P 1","1","","Cbz-(Leu-Leu-Aib)2-OMe","","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","1","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0534","0.0434","","","0.087","0.0905","","","","","","1.576","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151825","12.9034","0.0012","14.8243","0.0013","16.6694","0.0015","104.879","0.001","93.483","0.002","112.918","0.001","2791.8","0.4","200","2","200","2","","","","","","","synthesis","4","P 1","P 1","1","","Cbz-[Leu-Leu-(S,S)-Ac5cdOM]2-OMe","","- C49.5 H83 N6 O14 -","- C49.5 H83 N6 O14 -","- C99 H166 N12 O28 -","2","2","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0574","0.0522","","","0.1427","0.1493","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151871","10.3603","0.0002","11.0519","0.0003","14.0747","0.0003","90.6376","0.0019","103.528","0.0017","107.614","0.002","1487.55","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H37 Cl N2 O3 Ru S -","- C31 H37 Cl N2 O3 Ru S -","- C62 H74 Cl2 N4 O6 Ru2 S2 -","2","2","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","0.71073","MoKα","","0.0247","0.0233","","","0.0548","0.0553","","","","","","1.004","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151894","7.9684","0.001","10.9755","0.0014","12.0108","0.0015","72.528","0.002","72.231","0.002","83.35","0.002","953.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H17 Br O6 -","- C22 H17 Br O6 -","- C44 H34 Br2 O12 -","2","2","","Gao, Yaojun; Ren, Qiao; Ang, Swee-Meng; Wang, Jian","Enantioselective organocatalytic Michael-hemiketalization catalyzed by a trans-bifunctional indane thiourea catalyst.","Organic & biomolecular chemistry","2011","9","10","3691","3697","10.1039/c1ob05404j","","","0.71073","MoKα","","0.033","0.0302","","","0.0683","0.0698","","","","","","0.857","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151991","13.3376","0.0019","14.03","0.002","17.956","0.003","88.064","0.005","70.67","0.004","73.874","0.005","3039.6","0.8","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha gamma mixed peptide","(S,E)-ethyl 4-((S)-2-(tert-butoxycarbonylamino)propanamido) -5-methylhex-2-enoate Chemical Formula: C17H30N2O5","","- C17 H30 N2 O5 -","- C17 H30 N2 O5 -","- C102 H180 N12 O30 -","6","6","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1817","0.0881","","","0.1946","0.2449","","","","","","0.99","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151994","5.053","0.002","9.812","0.005","13.498","0.006","73.64","0.009","84.653","0.009","78.566","0.009","628.9","0.5","100","2","100","2","","","101.325","","","","Synthesis","4","P 1","P 1","1","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","1","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1066","0.0663","","","0.1509","0.1751","","","","","","1.036","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152088","9.978","0.003","10.704","0.003","17.817","0.006","74.1","0.02","81.31","0.02","81.28","0.02","1796.9","1","150","1","150","1","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C38 H28 Cl4 N4 O10 -","- C38 H28 Cl4 N4 O10 -","- C76 H56 Cl8 N8 O20 -","2","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1485","0.0713","","","0.1169","0.1354","","","","","","1.015","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152130","5.1716","0.0002","5.2806","0.0002","6.082","0.0003","68.403","0.002","67.501","0.002","80.743","0.003","142.64","0.011","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C6 H7 F O3 -","1","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.027","0.0261","","0.0281","0.0274","0.0274","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152166","6.717","0.003","7.176","0.003","12.147","0.004","99.024","0.011","99.364","0.012","91.872","0.011","569.5","0.4","293","","293","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","1","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.1285","0.0769","","","0.1893","0.2251","","","","","","0.997","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152207","5.7098","0.0009","9.5517","0.0015","14.904","0.002","87.425","0.002","89.606","0.002","82.942","0.002","805.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0592","0.0587","","","0.1544","0.1556","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152208","5.66","0.002","9.583","0.004","15.456","0.006","94.113","0.005","92.683","0.005","96.361","0.005","829.8","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0972","0.0863","","","0.2314","0.2513","","","","","","1.09","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152210","7.9762","0.0006","8.4759","0.0005","11.3641","0.0009","83.948","0.003","80.632","0.003","73.019","0.002","723.61","0.09","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","1","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.0585","0.0471","","","0.1147","0.1246","","","","","","1.101","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152214","9.1262","0.0009","9.6454","0.001","11.5103","0.0009","91.426","0.005","101.32","0.006","91.777","0.005","992.52","0.16","123","2","123","2","","","","","","","","5","P 1","P 1","1","","6a,13a-bis(methylthio)hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C20 H30 N2 O2 S2 -","- C20 H30 N2 O2 S2 -","- C40 H60 N4 O4 S4 -","2","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1323","0.1008","","","0.2044","0.2264","","","","","","1.166","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152218","5.6765","0.0004","10.5601","0.0009","15.2326","0.0011","80.631","0.007","85.199","0.005","75.014","0.005","869.46","0.12","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0424","0.0372","","","0.0902","0.0923","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152413","7.5722","0.0004","9.8018","0.0005","10.6602","0.0005","75.7436","0.0014","72.7353","0.0014","80.784","0.0013","729.05","0.06","123","","123","","","","101","","","","4,4-dimethylpyrrolidine-3-carboxylic acid","5","P 1","P 1","1","N-nosyl 4,4-dimethylpyrrolidine-3-carboxylic acid","(S)-N-(2-nitrophenylsulphonyl)-4,4-dimethylpyrrolidine-3-carboxylic acid","","- C13 H16 N2 O6 S -","- C13 H16 N2 O6 S -","- C26 H32 N4 O12 S2 -","2","2","","Yoshida, Masanori; Masaki, Erika; Ikehara, Hiroto; Hara, Shoji","Enantioselective synthesis of gabapentin analogues via organocatalytic asymmetric Michael addition of α-branched aldehydes to β-nitroacrylates.","Organic & biomolecular chemistry","2012","10","27","5289","5297","10.1039/c2ob25413a","","x-ray","0.71075","MoKa","","","0.044","","","","0.1235","","","","","","1.09","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152477","8.6495","0.0006","8.6869","0.0006","13.4401","0.0009","72.062","0.004","89.472","0.004","85.803","0.005","958.09","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","2","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0852","0.0709","","","0.2023","0.2362","","","","","","1.107","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152555","10.734","0.002","11.293","0.002","11.423","0.002","110.54","0.03","90.72","0.03","108.91","0.03","1214.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","1","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.1701","0.0814","","","0.2259","0.3089","","","","","","1.003","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152604","9.0382","0.0004","16.6844","0.0006","19.2103","0.0012","79.817","0.004","77.978","0.004","89.217","0.003","2787.9","0.2","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C51.5 H74.5 Cl5.5 N4 O7 -","- C51.5 H74.5 Cl5.5 N4 O7 -","- C103 H149 Cl11 N8 O14 -","2","2","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","1.5418","CuKα","","0.121","0.1155","","0.3195","0.3081","0.3195","","","","","","1.4241","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152650","10.659","0.0014","11.1175","0.0008","11.4796","0.0008","115.03","0.003","100.751","0.004","101.47","0.004","1150.5","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H24 N2 O4 Se -","- C28 H23.5 N2 O4 Se -","- C56 H47 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0524","0.0343","","","0.0784","0.0851","","","","","","1.014","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152653","10.1344","0.0003","10.3521","0.0003","12.1801","0.0004","82.512","0.002","78.896","0.002","79.956","0.002","1228.5","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H N2 O4 Se -","- C28 H21.5 N2 O4 Se -","- C56 H43 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0761","0.0429","","","0.1011","0.1155","","","","","","1.01","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152678","8.515","0.005","19.245","0.01","21.792","0.012","72.207","0.019","83.15","0.03","80.58","0.02","3345","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1","P 1","1","","","","- C71 H101 N9 O6 -","- C71 H101 N9 O6 -","- C142 H202 N18 O12 -","2","2","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.111","0.0951","","","0.1811","0.191","","","","","","1.164","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152727","12.821","0.003","16.131","0.004","19.3","0.004","77.453","0.002","77.365","0.003","87.544","0.003","3801.8","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C67 H109 N12 O12.5 S1.5 -","- C67 H108.5 N12 O12.5 S1.5 -","- C134 H217 N24 O25 S3 -","2","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1023","0.0786","","","0.2172","0.2394","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152734","8.3206","0.0004","8.3369","0.0004","25.7561","0.0014","93.355","0.001","95.323","0.001","93.682","0.001","1771.53","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0552","0.0453","","","0.0873","0.0925","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152735","8.3213","0.0004","8.3312","0.0004","25.7701","0.0013","93.369","0.001","95.301","0.001","93.703","0.001","1771.42","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0611","0.0446","","","0.0827","0.0901","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152776","9.354","0.01","12.179","0.013","13.95","0.015","68.89","0.03","85.74","0.03","71.36","0.03","1403","3","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha-gamma peptide","alpha-gamma peptide","","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","1","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1364","0.0823","","","0.2342","0.2723","","","","","","0.771","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152782","6.6023","0.0012","6.6337","0.0012","37.831","0.006","94.504","0.015","90.801","0.014","113.293","0.017","1515.3","0.5","293","2","293.15","","","","","","","","","3","P 1","P 1","1","","","","- C32 H52 O8 -","- C32 H52 O8 -","- C64 H104 O16 -","2","2","","Guo, Xiurong; Xin, Guang; He, Shiliang; Wang, Yanyan; Huang, Baozhan; Zhao, Hang; Xing, Zhihua; Chen, Qingming; Huang, Wen; He, Yang","Novel organic gelators based on pentose derivatized diosgenyl saponins.","Organic & biomolecular chemistry","2013","11","5","821","827","10.1039/c2ob26898a","","","0.7107","MoKα","","0.0686","0.046","","","0.093","0.1051","","","","","","1.066","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152791","6.046","0.002","12.665","0.004","12.845","0.004","76.57","0.008","81.084","0.007","83.652","0.007","942.3","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","1","1","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1519","0.0973","","","0.198","0.2299","","","","","","1.114","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152801","8.9964","0.0004","11.1739","0.0004","14.3314","0.0006","98.212","0.003","97.8","0.004","91.098","0.004","1411.61","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 N4 O5 S -","- C27 H36 N4 O5 S -","- C54 H72 N8 O10 S2 -","2","2","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1071","0.0533","","","0.1174","0.1384","","","","","","0.932","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152872","5.7769","0.0009","8.856","0.002","14.249","0.003","84.286","0.008","79.6","0.006","76.235","0.008","695.2","0.2","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","1","1","","Tambara, Koujiro; Pantoş, G Dan","Conversion of aldoximes into nitriles and amides under mild conditions.","Organic & biomolecular chemistry","2013","11","15","2466","2472","10.1039/c3ob27362h","","","0.71073","MoKα","","0.1024","0.0934","","","0.2637","0.2715","","","","","","1.067","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152883","10.5355","0.0003","11.8539","0.0004","15.7927","0.0005","94.235","0.002","100.106","0.001","112.49","0.002","1772.35","0.1","173","2","173","2","","","","","","","synthesis as described","8","P 1","P 1","1","","","","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","1","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0675","0.0706","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152982","9.922","0.003","11.229","0.004","26.423","0.009","87.146","0.006","89.44","0.006","73.282","0.007","2815.9","1.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Leu-Val-Val-D-Pro-Pro-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-D-prolyl-prolyl-leucyl -valyl-valyl-methyl ester","","- C48 H84 N8 O11 -","- C48 H84 N8 O11 -","- C96 H168 N16 O22 -","2","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2671","0.1043","","","0.2187","0.2588","","","","","","0.904","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153060","7.3566","0.0002","8.0059","0.0002","9.006","0.0002","65.624","0.001","71.772","0.002","81.292","0.002","458.74","0.02","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","Mattson 1932","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","1","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0428","0.0367","","","0.0824","0.0863","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153193","7.981","0.0002","8.997","0.0002","19.1833","0.0005","78.855","0.002","84.93","0.002","88.715","0.002","1346.17","0.06","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H25 N5 O5 -","- C32 H25 N5 O5 -","- C64 H50 N10 O10 -","2","2","","Liu, Jing-Xin; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An asymmetric normal-electron-demand aza-Diels-Alder reaction via trienamine catalysis.","Organic & biomolecular chemistry","2013","11","47","8175","8178","10.1039/c3ob41698d","","","1.54184","CuKα","","0.0361","0.034","","","0.0928","0.0954","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153232","8.7486","0.0017","9.3067","0.0019","13.714","0.003","101.33","0.03","99.93","0.03","90.56","0.03","1077.3","0.4","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H21 Br N2 O -","- C26 H21 Br N2 O -","- C52 H42 Br2 N4 O2 -","2","2","","Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.","Organic & biomolecular chemistry","2010","8","2","442","450","10.1039/b915677a","","","0.71073","MoKα","","0.0775","0.0621","","","0.1269","0.1376","","","","","","1.003","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153243","7.6102","0.0009","8.2782","0.001","8.3471","0.0009","111.026","0.002","99.798","0.002","115.264","0.002","410.05","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 O5 S -","- C17 H22 O5 S -","- C17 H22 O5 S -","1","1","","O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S.","The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone.","Organic & biomolecular chemistry","2010","8","3","539","545","10.1039/b916506a","","","0.71073","MoKα","","0.0397","0.0361","","","0.0809","0.0826","","","","","","1.05","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153286","10.0994","0.0011","10.1912","0.0011","11.641","0.0012","91.432","0.002","94.023","0.002","95.126","0.002","1189.8","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 Br N2 O4 -","- C25 H23 Br N2 O4 -","- C50 H46 Br2 N4 O8 -","2","2","","Dungan, Victoria J.; Ortin, Yannick; Mueller-Bunz, Helge; Rutledge, Peter J.","Design and synthesis of a tetradentate '3-amine-1-carboxylate' ligand to mimic the metal binding environment at the non-heme iron(II) oxidase active site.","Organic & biomolecular chemistry","2010","8","7","1666","1673","10.1039/b921934j","","","0.71073","MoKα","","0.0528","0.0425","","","0.1066","0.1127","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153354","7.5708","0.0002","11.1245","0.0003","16.1074","0.0005","80.08","0.002","85.635","0.002","88.002","0.002","1332.1","0.07","123","2","123","2","","","","","","","","3","P 1","P 1","1","Cyclic 3-ketal of methyl 3-oxo-5β-cholan-24-oate with benzene-1,2-diol","","","- C31 H44 O4 -","- C31 H44 O4 -","- C62 H88 O8 -","2","2","","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","","0.1159","0.0728","","","0.1176","0.1341","","","","","","1.079","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153355","7.5916","0.0001","11.4074","0.0002","16.0654","0.0003","97.471","0.001","102.069","0.001","95.081","0.001","1339.32","0.04","123","2","123","2","","","","","","","","3","P 1","P 1","1","Cyclic 3-ketal of 3,7,12-trioxo-5β-cholan-24-oate with benzene-1,2-diol","","","- C31 H40 O6 -","- C31 H40 O6 -","- C62 H80 O12 -","2","2","","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","","0.0523","0.0442","","","0.0908","0.0952","","","","","","1.041","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153405","5.4734","0.0006","9.0484","0.001","14.9986","0.0018","83.446","0.005","89.906","0.005","89.581","0.004","737.94","0.15","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C2.33 H3.33 O0.33 S0.17 -","- C2.33333 H3.33333 O0.333333 S0.166667 -","- C28 H40 O4 S2 -","12","12","","Fang, Zhao; Zhou, Chao; Fu, Chunling; Ma, Shengming","Studies on highly regio- and stereoselective hydration of 1,2-allenylic sulfoxides.","Organic & biomolecular chemistry","2010","8","20","4554","4561","10.1039/c0ob00007h","","","0.71073","MoKα","","0.1844","0.0464","","","0.0959","0.117","","","","","","1.106","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153421","9.5396","0.0019","10.212","0.002","13.104","0.003","88.49","0.03","80.93","0.03","63.76","0.03","1129.3","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C50 H56 N4 O12 -","2","2","","Nugent, Thomas C.; Umar, M. Naveed; Bibi, Ahtaram","Picolylamine as an organocatalyst template for highly diastereo- and enantioselective aqueous aldol reactions.","Organic & biomolecular chemistry","2010","8","18","4085","4089","10.1039/c0ob00049c","","","0.71073","MoKα","","0.0391","0.0334","","","0.0753","0.0772","","","","","","0.983","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153431","6.0756","0.0002","6.6423","0.0002","7.3505","0.0002","80.5318","0.0012","84.2434","0.0012","89.0269","0.0012","291.12","0.015","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C9 H15 N O7 S -","- C9 H15 N O7 S -","- C9 H15 N O7 S -","1","1","","Wyszynski, Filip J.; Thompson, Amber L.; Davis, Benjamin G.","Inverted regioselectivity of C-H amination: Unexpected oxidation at beta- rather than gamma-C-H.","Organic & biomolecular chemistry","2010","8","19","4246","4248","10.1039/c0ob00113a","","","0.71073","MoKα","","0.0238","0.0232","","0.057","0.0567","0.057","","","","","","1.0079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153595","9.5236","0.0002","14.224","0.0003","16.822","0.0004","109.168","0.002","92.395","0.002","100.881","0.002","2100.47","0.09","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H56.5 N7 O9 S -","- C36 H56.5 N7 O9 S -","- C72 H113 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0656","0.0475","","","0.1075","0.1164","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153596","9.5005","0.0002","14.2234","0.0003","15.3975","0.0003","89.612","0.002","84.675","0.001","78.797","0.002","2032.06","0.07","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H53 N7 O9 S -","- C34 H53 N7 O9 S -","- C68 H106 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0568","0.046","","","0.1234","0.1443","","","","","","1.049","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153691","5.29","","6.432","","12.429","","86.64","","88.36","","65.8","","385.068","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H26 O3 S -","- C15 H26 O3 S -","- C15 H26 O3 S -","1","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.0857","0.0663","","","0.1611","0.1777","","","","","","0.944","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153745","7.9687","0.0008","9.4665","0.0009","9.6211","0.0009","62.398","0.009","77.124","0.008","81.985","0.008","626.45","0.12","120","2","120","2","","","","","","","","4","P 1","P 1","1","","ethyl-4,6-di(1H-indol-3-yl)-1-phenylpiperidin-2-carboxylate","","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","1","1","","Zhong, Sabilla; Nieger, Martin; Bihlmeier, Angela; Shi, Min; Bräse, Stefan","Asymmetric organocatalytic synthesis of 4,6-bis(1H-indole-3-yl)-piperidine-2 carboxylates.","Organic & biomolecular chemistry","2014","12","20","3265","3270","10.1039/c4ob00234b","","","1.54178","CuKα","","0.0263","0.026","","","0.0664","0.0666","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153846","6.4597","0.0004","9.7895","0.0006","10.0741","0.0005","70.729","0.002","76.156","0.002","79.307","0.002","579.93","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C25 H25 Br O5 -","- C25 H25 Br O5 -","- C25 H25 Br O5 -","1","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0285","0.0252","","","0.0506","0.0517","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7154083","4.433","0.006","13.761","0.01","10.298","0.01","90","","92.05","0.12","90","","627.8","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H17 Cl O2 -","- C14 H15 Cl O2 -","- C28 H30 Cl2 O4 -","2","2","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.0657","0.0459","","","0.1124","0.1344","","","","","","0.982","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154127","5.9167","0.0009","10.9747","0.0017","12.2265","0.0018","64.424","0.0019","82.594","0.0019","89.995","0.0019","708.78","0.19","173","","173","","","","","","","","","4","P 1","P 1","1","","(R)-N-(1-t-Butylethyl)-2-chromonecarboxamide","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","2","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0441","0.0398","","","0.1003","0.1043","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154153","5.7766","0.0004","12.208","0.0012","16.2225","0.0015","83.552","0.002","82.785","0.001","78.777","0.001","1108.71","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H37 N0 O3 P -","- C22 H37 O3 P -","- C44 H74 O6 P2 -","2","2","","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","","0.0534","0.0435","","","0.0898","0.0973","","","","","","1.032","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154263","5.5082","0.0017","10.112","0.002","11.961","0.002","66.024","0.017","83.58","0.03","78.23","0.02","595.6","0.3","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 N O6 S -","- C27 H25 N O6 S -","- C27 H25 N O6 S -","1","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","0.71075","MoKα","","0.0445","0.042","","","0.0936","0.0958","","","","","","1.047","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154275","14.9779","0.0006","15.1104","0.0006","23.1992","0.0008","86.107","0.002","81.276","0.002","67.781","0.002","4804.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H48 Cl2 N14 O6 -","- C46 H48 Cl2 N14 O6 -","- C184 H192 Cl8 N56 O24 -","4","4","","Santos, Miguel M.; Marques, Igor; Carvalho, Sílvia; Moiteiro, Cristina; Félix, Vítor","Recognition of bio-relevant dicarboxylate anions by an azacalix[2]arene[2]triazine derivative decorated with urea moieties.","Organic & biomolecular chemistry","2015","13","10","3070","3085","10.1039/c4ob02283a","","","0.71073","MoKα","","0.0886","0.0606","","","0.1366","0.1507","","","","","","1.037","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154296","6.0244","0.0004","11.844","0.0009","13.27","0.0013","93.58","0.02","94.51","0.02","94.85","0.05","938.26","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 F O2 -","- C25 H21 F O2 -","- C50 H42 F2 O4 -","2","2","","da Silva, Daniel Leite; Silva Terra, Bruna; Ribeiro Lage, Mateus; Lúcia Tasca Góis Ruiz, Ana; Capeletti da Silva, Cameron; Ernesto de Carvalho, João; Walkimar de Mesquita Carneiro, José; Terra Martins, Felipe; Antonio Fernades, Sergio; de Fátima, Ângelo","Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies.","Organic & biomolecular chemistry","2015","13","11","3280","3287","10.1039/c4ob02611j","","","0.71073","MoKα","","0.0916","0.0788","","","0.2235","0.2343","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154333","7.3337","0.0012","9.9719","0.0016","10.128","0.0016","93.269","0.005","99.21","0.005","110.524","0.004","679.57","0.19","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","1","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0646","0.0637","","","0.1738","0.1747","","","","","","1.095","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154495","5.094","0.001","12.212","0.002","30.472","0.006","96.75","0.03","94.01","0.03","92.39","0.03","1875.5","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C30 H66 N4 O13 S2 -","- C30 H66 N4 O13 S2 -","- C60 H132 N8 O26 S4 -","2","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1915","0.1302","","","0.3225","0.3624","","","","","","1.102","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154535","6.6012","0.0004","8.1654","0.0006","19.8307","0.0013","84.197","0.005","84.853","0.005","85.592","0.005","1056.66","0.12","190","2","190","2","","","","","","","fungus Chaunopycnis sp.","4","P 1","P 1","1","","chaunolidine C","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","2","","Shang, Zhuo; Li, Li; Espósito, Breno P; Salim, Angela A.; Khalil, Zeinab G.; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","New PKS-NRPS tetramic acids and pyridinone from an Australian marine-derived fungus, Chaunopycnis sp.","Organic & biomolecular chemistry","2015","13","28","7795","7802","10.1039/c5ob01058f","","x-ray","1.54184","CuKα","","0.092","0.0658","","","0.1664","0.1858","","","","","","1.031","","","","has coordinates","143758","2020-10-21","18:00:00",""
"7154779","11.231","0.0003","16.5478","0.0004","16.658","0.0004","60.773","0.002","70.814","0.002","73.664","0.002","2524.11","0.12","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C47 H59 N6 O6.5 -","- C47 H59 N6 O6.5 -","- C94 H118 N12 O13 -","2","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0569","0.054","","","0.1516","0.1559","","","","","","1.058","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7154866","12.02","0.003","12.515","0.005","15.361","0.005","89.45","0.02","69.94","0.014","72.86","0.016","2063.4","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl N3 O3 -","- C43 H36 Cl N3 O3 -","- C86 H72 Cl2 N6 O6 -","2","2","","Huang, Huicai; Bihani, Manisha; Zhao, John C.-G.","Stereoselective synthesis of spirooxindole derivatives using an organocatalyzed tandem Michael-Michael reaction.","Organic & biomolecular chemistry","2016","14","5","1755","1763","10.1039/c5ob02348c","","","0.71073","MoKα","","0.1406","0.1237","","","0.3204","0.3419","","","","","","1.954","","","","has coordinates","176179","2020-10-21","18:00:00",""
"7154869","9.345","0.004","10.512","0.003","14.341","0.004","98.497","0.002","106.816","0.011","110.513","0.008","1213.3","0.7","125","","125","","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","2","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","1.54187","CuKα","","0.0589","0.057","","","0.1352","0.1371","","","","","","1.027","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154941","10.9476","0.0007","11.5394","0.0007","12.4589","0.0008","90.289","0.006","110.381","0.008","105.805","0.007","1410.87","0.18","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C35 H30 O11 -","- C35 H30 O11 -","- C70 H60 O22 -","2","2","","Zang, Yi; Genta-Jouve, Grégory; Retailleau, Pascal; Escargueil, Alexandre; Mann, Stéphane; Nay, Bastien; Prado, Soizic","Talaroketals A and B, unusual bis(oxaphenalenone) spiro and fused ketals from the soil fungus Talaromyces stipitatus ATCC 10500.","Organic & biomolecular chemistry","2016","14","9","2691","2697","10.1039/c5ob02657a","","","1.54187","CuKα","","0.1084","0.0813","","","0.2031","0.2384","","","","","","1.031","","","","has coordinates","177927","2020-10-21","18:00:00",""
"7154998","11.9342","0.0011","12.3874","0.0011","13.3401","0.0013","106.111","0.005","92.693","0.005","95.261","0.006","1881.3","0.3","130","","130","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","4","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0838","0.0662","","","0.177","0.203","","","","","","1.012","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7155026","5.0171","0.0014","8.347","0.002","10.439","0.003","101.211","0.005","102.192","0.007","91.033","0.008","418.4","0.2","233","","233","","","","","","","","","6","P 1","P 1","1","","","","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","1","1","","Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi","Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions.","Organic & biomolecular chemistry","2016","14","14","3501","3505","10.1039/c6ob00449k","","","0.71075","MoKα","","","0.0242","","","","0.0288","","","","","","0.818","","","","has coordinates","181797","2020-10-21","18:00:00",""
"7155047","12.332","0.003","12.412","0.003","21.736","0.004","90.58","0.03","95.38","0.03","90","0.03","3312.2","1.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H50 N4 O7 -","- C32 H50 N4 O7 -","- C128 H200 N16 O28 -","4","4","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.1339","0.1216","","","0.3687","0.3761","","","","","","1.506","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155217","11.2758","0.0002","13.2794","0.0002","14.0394","0.0003","65.8676","0.0007","83.1022","0.0009","65.9622","0.0007","1749.38","0.06","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br Cl N7 O0.5 -","- C40 H39 Br Cl N7 O0.5 -","- C80 H78 Br2 Cl2 N14 O -","2","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.1079","0.0716","","","0.1647","0.2119","","","","","","1.115","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155318","8.4221","0.0003","9.777","0.0003","11.8865","0.0004","101.423","0.001","98.231","0.001","110.96","0.001","871.07","0.05","290","2","290","2","","","","","","","","4","P 1","P 1","1","butyl iodo methylphenanthren yl selane","butyl(10- iodo-7- methylphenanthren-9- yl) selane","","- C19 H19 I Se -","- C19 H19 I Se -","- C38 H38 I2 Se2 -","2","2","","Grimaldi, Tamiris B.; Lutz, Guilherme; Back, Davi F.; Zeni, Gilson","(Biphenyl-2-alkyne) derivatives as common precursors for the synthesis of 9-iodo-10-organochalcogen-phenanthrenes and 9-organochalcogen-phenanthrenes.","Organic & biomolecular chemistry","2016","14","44","10415","10426","10.1039/c6ob01807f","","","0.71073","MoKα","","0.052","0.036","","","0.0847","0.0919","","","","","","1.025","","","","has coordinates","190262","2020-10-21","18:00:00",""
"7155388","7.9939","0.0005","8.0488","0.0004","22.5543","0.0013","96.579","0.002","96.368","0.002","90.008","0.002","1432.6","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H13 Br F N O2 -","- C16 H13 Br F N O2 -","- C64 H52 Br4 F4 N4 O8 -","4","4","","Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Catalytic asymmetric aldol addition reactions of 3-fluoro-indolinone derived enolates.","Organic & biomolecular chemistry","2017","15","2","311","315","10.1039/c6ob02454h","","","0.71073","MoKα","","0.0448","0.0365","","","0.0778","0.0809","","","","","","1.029","","","","has coordinates","191724","2020-10-21","18:00:00",""
"7155389","6.5505","0.0003","8.7111","0.0004","9.9103","0.0005","82.5366","0.0018","73.6985","0.0014","76.9181","0.0018","527.35","0.04","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","1","1","","Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams.","Organic & biomolecular chemistry","2017","15","2","320","323","10.1039/c6ob02506d","","","1.54178","","","0.0298","0.0297","","","0.0766","0.0768","","","","","","1.031","","","","has coordinates","191722","2020-10-21","18:00:00",""
"7155400","13.2663","0.0006","14.226","0.0007","15.0088","0.0007","68.446","0.003","63.857","0.003","73.509","0.003","2339.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","2","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0652","0.0593","","","0.1638","0.172","","","","","","1.049","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155410","7.5076","0.0006","7.9269","0.0006","13.2339","0.001","94.761","0.004","94.576","0.004","98.12","0.004","773.64","0.1","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","2","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0336","0.0303","","","0.0951","0.0989","","","","","","0.763","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155724","11.908","0.002","17.703","0.004","17.953","0.004","84.06","0.03","70.79","0.03","86.23","0.03","3552.7","1.4","93","2","93","2","","","","","","","synthesis","4","P 1","P 1","1","","Z-(Leu-Leu-AC6)2-Leu-Leu-OMe.3EtOH","","- C62 H107 N8 O16.5 -","- C62 H107 N8 O16.5 -","- C124 H214 N16 O33 -","2","2","","Furukawa, Kaori; Oba, Makoto; Toyama, Kotomi; Opiyo, George Ouma; Demizu, Yosuke; Kurihara, Masaaki; Doi, Mitsunobu; Tanaka, Masakazu","Low pH-triggering Changes in Peptide Secondary Structures","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01374D","","","0.71073","MoKα","","0.1642","0.0998","","","0.2421","0.3067","","","","","","0.963","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155757","8.2173","0.0005","10.0044","0.0006","11.8002","0.0007","103.879","0.002","107.903","0.002","97.302","0.001","874.73","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C17.5 H15 Cl N2 O4 S -","- C17.5 H15 Cl N2 O4 S -","- C35 H30 Cl2 N4 O8 S2 -","2","2","","Wang, Lei; Rahman, Abdul; Lin, Xufeng","Enantioselective synthesis of cyclic quaternary α-amino acid derivatives by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2017","","","","","10.1039/c7ob01149k","","","0.71073","MoKα","","0.0835","0.0444","","","0.0881","0.1251","","","","","","1.003","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155783","10.1389","0.0013","10.283","0.0013","19.617","0.003","79.125","0.006","89.681","0.006","62.353","0.004","1771.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","2e-BPh4","","- C42 H46 B N O2 -","- C42 H46 B N O2 -","- C84 H92 B2 N2 O4 -","2","2","","Tayama, Eiji; Watanabe, Kazutoshi; Sotome, Sho","Structural and mechanistic studies of the base-induced Sommelet‒Hauser rearrangement of N-α-branched benzylic azetidine-2-carboxylic acid-derived ammonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01391D","","x-ray","0.71073","MoKα","","0.0835","0.0552","","","0.1118","0.1265","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7155913","5.6715","0.0002","8.7531","0.0002","10.1807","0.0002","84.071","0.001","82.036","0.001","83.693","0.001","495.5","0.02","100","2","100","2","","","","","","","","4","P 1","P 1","1","","Phenyl 4-hydroxy-3-(3-oxocyclohex-1-en-1-yl)-4-phenyltetrahydrothiophene-2-carboxylate","","- C23 H22 O4 S -","- C23 H22 O4 S -","- C23 H22 O4 S -","1","1","","Przydacz, Artur; Kowalczyk, Rafał; Albrecht, Lukasz","Brønsted-base-catalyzed Remote Cascade Reactivity of 2,4-Dienones - Asymmetric Synthesis of Tetrahydrothiophenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02397A","","","1.54178","CuKα","","0.0379","0.0364","","","0.0893","0.0917","","","","","","1.12","","","","has coordinates,has disorder","201687","2020-10-21","18:00:00",""
"7155968","6.0765","0.0002","9.6451","0.0004","11.0698","0.0004","89.902","0.003","75.421","0.003","76.398","0.004","609.14","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","1","1","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.0361","0.0342","","","0.0903","0.0932","","","","","","1.032","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7156078","9.0606","0.0003","10.3676","0.0002","16.4849","0.0004","82.4953","0.0019","85.481","0.002","74.878","0.002","1480.49","0.07","100","2","100","0.14","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C48 H64 N8 O32 S4 -","4","4","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1383","0.1461","","","","","","1.054","","","","has coordinates,has disorder","230648","2020-10-21","18:00:00",""
"7156127","11.3575","0.0004","12.9479","0.0006","15.7889","0.0005","81.909","0.003","88.938","0.003","72.873","0.003","2196.15","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","1","1","","Wang, Zhen-Hua; You, Yong; Chen, Yong-Zheng; Xu, Xiao-Ying; Yuan, Wei-Cheng","An asymmetric organocatalytic vinylogous Mannich reaction of 3-methyl-5-arylfuran-2(3H)-ones with N-(2-pyridinesulfonyl) imines: enantioselective synthesis of δ-amino γ,γ-disubstituted butenolides.","Organic & biomolecular chemistry","2018","16","10","1636","1640","10.1039/c7ob03117c","","x-ray","1.54184","CuKα","","0.0528","0.0458","","","0.1139","0.1208","","","","","","1.026","","","","has coordinates,has disorder","230596","2020-10-21","18:00:00",""
"7156205","9.0696","0.0001","21.623","0.0003","23.9383","0.0004","111.419","0.001","95.745","0.001","98.514","0.001","4261.16","0.11","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C142 H233 N33 O37 -","- C142 H231 N33 O37 -","- C142 H231 N33 O37 -","1","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0944","0.0802","","","0.205","0.2161","","","","","","1.001","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156410","7.865","0.004","8.24","0.005","10.747","0.007","100.15","0.03","96.1","0.04","112.36","0.04","622.4","0.7","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-78","","- C30 H38 O3 -","- C30 H38 O3 -","- C30 H38 O3 -","1","1","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0456","0.042","","","0.1115","0.1173","","","","","","1.013","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156411","7.6619","0.0003","7.6737","0.0003","21.935","0.0009","97.812","0.002","92.511","0.002","94.499","0.002","1271.83","0.09","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-90","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","2","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0999","0.0931","","","0.2768","0.2842","","","","","","1.051","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156559","7.8489","0.0001","7.8505","0.0001","11.6784","0.0002","74.58","","73.43","","87.86","","664.309","0.017","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H38 O10 -","- C29 H38 O10 -","- C29 H38 O10 -","1","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0308","0.0307","","","0.0788","0.0788","","","","","","1.058","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156685","5.8561","0.0005","8.9674","0.0008","10.0618","0.0009","94.232","0.007","97.739","0.007","98.721","0.007","515.12","0.08","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H23 Br O3 -","- C24 H23 Br O3 -","- C24 H23 Br O3 -","1","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","MoKα","","0.0618","0.045","","","0.0997","0.1119","","","","","","1.089","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156701","12.4079","0.0007","12.825","0.0007","12.9266","0.0008","97.287","0.005","100.642","0.005","93.026","0.005","1999.2","0.2","298.84","0.1","298.84","0.1","","","","","","","","7","P 1","P 1","1","","","","- C25 H22 Br F3 N2 O5 S -","- C25 H22 Br F3 N2 O5 S -","- C75 H66 Br3 F9 N6 O15 S3 -","3","3","","Li, Boyu; Liu, Jikun; Gao, Fengyun; Sun, Mengmeng; Guo, Yifei; Zhou, Yuan; Wen, Dongwa; Deng, Yabo; Chen, Hui; Wang, Kairong; Yan, Wenjin","The asymmetric construction of CF<sub>3</sub>-containing spiro-thiazolone-pyrrolidine compounds via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","11","2892","2895","10.1039/c9ob00325h","","x-ray","0.71073","MoKα","","0.1146","0.0553","","","0.0815","0.1032","","","","","","0.999","","","","has coordinates","225286","2020-10-21","18:00:00",""
"7156896","8.1582","0.0002","9.4094","0.0002","9.4305","0.0002","98.033","0.001","94.918","0.002","94.971","0.001","710.6","0.03","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","1","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1778","0.1813","","","","","","1.074","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156898","6.2971","0.0015","10.739","0.003","18.714","0.005","92.24","0.003","91.774","0.003","94.792","0.003","1259.4","0.6","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H38 B Cl N2 -","- C27 H38 B Cl N2 -","- C54 H76 B2 Cl2 N4 -","2","2","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.1083","0.0643","","","0.119","0.1392","","","","","","0.993","","","","has coordinates","225175","2020-10-21","18:00:00",""
"7156968","9.2333","0.0003","11.1033","0.0004","11.1547","0.0003","100.671","0.002","93.538","0.002","93.953","0.002","1117.89","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 N O6 -","- C25 H21 N O6 -","- C50 H42 N2 O12 -","2","2","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Catalytic enantioselective Michael addition of 2-substituted benzofuran-3-ones to 2-enoyl pyridines.","Organic & biomolecular chemistry","2019","17","30","7166","7171","10.1039/c9ob01069f","","","0.71073","MoKα","","0.0701","0.0387","","","0.0916","0.1099","","","","","","0.982","","","","has coordinates,has disorder","225222","2020-10-21","18:00:00",""
"7157007","9.0135","0.0002","9.2173","0.0002","10.0939","0.0002","100.231","0.002","94.54","0.002","112.553","0.002","752.08","0.03","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","1","1","","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","","0.0398","0.0397","","","0.1091","0.1093","","","","","","1.163","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157117","10.0311","0.0019","13.762","0.003","14.965","0.003","92.146","0.005","95.34","0.005","97.624","0.005","2036.1","0.7","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H64 N4 O7 -","- C38 H64 N4 O7 -","- C76 H128 N8 O14 -","2","2","","Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.","Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.","Organic & biomolecular chemistry","2019","17","41","9226","9231","10.1039/c9ob01801h","","","0.71073","MoKα","","0.3634","0.136","","","0.2802","0.381","","","","","","0.977","","","","has coordinates","225073","2020-10-21","18:00:00",""
"7157173","7.773","0.005","8.96","0.006","9.546","0.006","78.697","0.009","76.144","0.008","69.086","0.009","598.5","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 F6 N P2 -","- C25 H23 F6 N P2 -","- C25 H23 F6 N P2 -","1","1","","Burgoyne, Morgan M.; MacDougall, Thomas M.; Haines, Zachary N.; Conrad, Jordan W.; Calhoun, Larry A.; Decken, Andreas; Dyker, Adam","A Strong Organic Electron Donor Incorporating Highly π-Donating Triphenylphosphonium Ylidyl Substituents","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01984G","","x-ray","0.71073","MoKα","","0.0692","0.0566","","","0.1433","0.1536","","","","","","1.1","","","","has coordinates,has disorder","220581","2020-10-21","18:00:00",""
"7157231","10.4124","0.0003","11.3067","0.0003","11.3573","0.0003","91.46","0.002","98.011","0.002","104.143","0.002","1281.44","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","1","1","","Bera, Kalisankar; Ayyagari, Narasimham; Satam, Nishikant; Namboothiri, Irishi N. N.","Stereoselective synthesis of hydrazinodihydrofurans via cascade Michael addition-substitution involving the reaction of curcumin and other β-dicarbonyls with α-hydrazinonitroalkenes.","Organic & biomolecular chemistry","2019","18","1","140","153","10.1039/c9ob01974j","","x-ray","1.54184","CuKα","","0.0721","0.0626","","","0.1638","0.1793","","","","","","1.079","","","","has coordinates","247803","2020-10-21","18:00:00",""
"7157426","9.0309","0.0004","13.028","0.0005","19.9637","0.0008","99.064","0.002","98.729","0.002","91.614","0.002","2289.36","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","4","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","1.54178","CuKα","","0.072","0.0702","","","0.2066","0.211","","","","","","1.036","","","","has coordinates,has disorder","253972","2020-10-21","18:00:00",""
"7157703","14.9008","0.0001","15.8307","0.0001","16.8469","0.0001","111.244","0.001","101.429","0.001","100.095","0.001","3495.22","0.06","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","bis(PF1022A)-tris(Potassium thiocianate)","","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","1","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1423","0.1453","","","","","","1.035","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157743","10.7714","0.0001","11.3185","0.0001","13.3343","0.0001","66.429","0.001","80.647","0.001","75.079","0.001","1436.53","0.02","100","0.13","100","0.13","","","","","","","","4","P 1","P 1","1","","","","- C37 H29 N O4 -","- C37 H29 N O4 -","- C74 H58 N2 O8 -","2","2","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0655","0.0658","","","","","","1.059","","","","has coordinates","260816","2021-01-07","07:07:09",""
"7157750","4.4944","0.0006","5.4263","0.0007","12.2978","0.0016","97.735","0.011","94.192","0.011","92.2","0.011","296.04","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","1","1","","Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi","Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.","Organic & biomolecular chemistry","2020","18","47","9689","9699","10.1039/d0ob02164d","","","0.71073","MoKα","","0.0636","0.0426","","","0.0975","0.1135","","","","","","1.045","","","","has coordinates","260815","2021-01-07","07:06:34",""
"7157773","5.9286","0.0005","8.2863","0.0007","8.6201","0.0008","109.21","0.003","90.208","0.003","103.829","0.002","386.74","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C17 H19 N O3 S -","1","1","","Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua","Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes.","Organic & biomolecular chemistry","2020","18","48","9873","9882","10.1039/d0ob01987a","","","0.71073","MoKα","","0.08","0.0527","","","0.0947","0.1105","","","","","","1.086","","","","has coordinates,has disorder","260822","2021-01-07","07:07:53",""
"7158044","8.703","0.013","9.329","0.014","14.17","0.02","94.13","0.03","91.26","0.03","90.13","0.02","1147","3","223","","223","","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 Br O5 -","- C24 H32 Br O5 -","- C48 H64 Br2 O10 -","2","2","","Nakamura, Tenma; Pitna, Dinda B.; Kimura, Kogaku; Yoshimoto, Yukiko; Uchiyama, Tomoya; Mori, Takaya; Kondo, Ryosuke; Hara, Shihori; Egoshi, Yuki; Yamaguchi, Shoya; Suzuki, Noriyuki; Suzuki, Yumiko; Usuki, Toyonobu","Total synthesis of cynaropicrin.","Organic & biomolecular chemistry","2021","19","27","6038","6044","10.1039/d1ob00657f","","","0.71073","MoKα","","0.1182","0.0737","","","0.187","0.2234","","","","","","0.935","","","","has coordinates","268917","2021-09-06","12:24:05",""
"7158072","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Biswas, Rayhan G.; Ray, Sumit K.; Kannaujiya, Vinod K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Cu(I)-Catalyzed asymmetric <i>exo</i>-selective synthesis of substituted pyrrolidines <i>via</i> a 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2021","19","21","4685","4690","10.1039/d1ob00494h","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","266178","2021-06-05","19:30:06",""
"7158078","5.4048","0.0001","13.6367","0.0004","20.6903","0.0006","71.195","0.001","85.372","0.001","85.751","0.001","1436.97","0.07","100","2","100.15","","","","","","","","","5","P 1","P 1","1","","","","- C33 H26 N2 O9 S -","- C33 H26 N2 O9 S -","- C66 H52 N4 O18 S2 -","2","2","","Ludford III, Paul T; Li, Yao; Yang, Shenghua; Tor, Yitzhak","Cytidine Deaminase Can Deaminate Fused Pyrimidine Ribonucleosides","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00705J","","x-ray","1.54178","CuKα","","0.0285","0.0273","","","0.0695","0.0701","","","","","","1.027","","","","has coordinates","265165","2021-05-13","03:22:51",""
"7158165","8.7747","0.0004","15.1721","0.0009","16.458","0.0009","72.036","0.002","88.944","0.002","84.345","0.002","2073.94","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H32 Br F12 N2 O2 P -","- C39 H32 Br F12 N2 O2 P -","- C78 H64 Br2 F24 N4 O4 P2 -","2","2","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.1529","0.1053","","","0.2673","0.3269","","","","","","1.008","","","","has coordinates,has disorder","268908","2021-09-06","12:19:45",""
"7158299","6.062","0.002","12.279","0.005","13.666","0.005","75.605","0.008","86.331","0.008","89.054","0.009","983.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(5S,10R)-8-(4-Bromophenyl)-6-imino-4-methyl-1-oxo-10-phenyl-2-oxa-3-azaspiro[4.5]de ca-3,7-diene-7-carbonitrile","","- C22 H16 Br N3 O2 -","- C22 H16 Br N3 O2 -","- C44 H32 Br2 N6 O4 -","2","2","","Wang, Yu; Niu, Cheng; Xie, Dong-Hua; Du, Da-Ming","A bifunctional squaramide-catalysed enantioselective vinylogous Michael addition/cyclization cascade reaction of 4-unsaturated isoxazol-5-ones and α,α-dicyanoalkenes.","Organic & biomolecular chemistry","2021","19","39","8572","8577","10.1039/d1ob01256h","","","0.71073","MoKα","","0.1278","0.0433","","","0.0777","0.0977","","","","","","0.901","","","","has coordinates","270504","2021-11-06","20:42:00",""
"7158300","7.0824","0.0005","9.9984","0.0008","11.3089","0.0009","113.621","0.008","101.541","0.007","100.342","0.007","688.15","0.11","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","1","1","","Wang, Rui-Li; Jia, Shi-Kun; Guo, Ya-Jun; Yi, Yang; Hua, Yuan-Zhao; Lu, Hui-Jie; Wang, Min-Can","Dinuclear zinc-catalyzed enantioselective formal [3 + 2] cycloaddition of <i>N</i>-2,2,2-trifluoroethylisatin ketimines with low reactivity aurone derivatives.","Organic & biomolecular chemistry","2021","19","39","8492","8496","10.1039/d1ob01599k","","","1.54184","CuKα","","0.0595","0.0487","","","0.1188","0.1303","","","","","","1.028","","","","has coordinates","270502","2021-11-06","20:41:48",""
"7158363","10.6249","0.0004","10.6722","0.0005","11.3614","0.0005","105.317","0.004","102.94","0.004","105.98","0.004","1131.72","0.1","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","2","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.0822","0.0713","","","0.2089","0.2322","","","","","","1.068","","","","has coordinates","271231","2021-12-07","03:56:07",""
"7158421","9.4275","0.0008","10.8201","0.0008","27.124","0.002","92.649","0.003","93.232","0.003","92.618","0.003","2756.2","0.4","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C20 H27 N2 O6 P -","- C20 H27 N2 O6 P -","- C100 H135 N10 O30 P5 -","5","5","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","1.34139","GaKα","","0.054","0.0462","","","0.1172","0.1243","","","","","","1.04","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158424","9.1936","0.0002","12.7735","0.0003","17.6722","0.0004","73.363","0.002","79.2638","0.0018","71.888","0.002","1879.11","0.08","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C21 H24 Se2 -","- C21 H24 Se2 -","- C84 H96 Se8 -","4","4","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0314","0.0292","","","0.0724","0.0748","","","","","","1.044","","","","has coordinates,has disorder","271875","2022-01-06","21:58:10",""
"7158468","12.441","0.002","12.772","0.002","20.693","0.004","75.36","0.02","79.83","0.02","89.7","0.02","3128.6","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H94 Cl8 N12 O9 -","- C48 H91.4 Cl8 N12 O8.96195 -","- C96 H182.8 Cl16 N24 O17.9239 -","2","2","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","x-ray","0.71073","MoKα","","0.0657","0.0582","","","0.1547","0.1597","","","","","","1.036","","","","has coordinates,has disorder","272757","2022-02-04","20:00:29",""
"7158482","9.9546","0.0009","11.138","0.0011","24.037","0.002","93.903","0.004","95.575","0.004","90.203","0.004","2646.2","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C25 H42 O4 S Si -","- C25 H42 O4 S Si -","- C100 H168 O16 S4 Si4 -","4","4","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0455","0.0428","","","0.0988","0.1002","","","","","","1.115","","","","has coordinates","272755","2022-02-04","20:00:02",""
"7158552","9.17564","0.00016","15.1486","0.0003","16.0961","0.0004","102.879","0.002","100.413","0.0017","102.046","0.0016","2071.52","0.08","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C90 H144 O12 -","- C90 H144 O12 -","- C90 H144 O12 -","1","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.0738","0.068","","","0.1748","0.179","","","","","","1.057","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158639","11.4922","0.0004","11.9793","0.0004","12.31","0.0004","91.779","0.002","96.053","0.003","91.867","0.003","1683.34","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H42 N2 O4 -","- C39 H42 N2 O4 -","- C78 H84 N4 O8 -","2","2","","Glavaš, Mladena; Gredičak, Matija; Stefanic, Zoran; Jerić, Ivanka","Synthesis of 14-membered enediyne-embedded macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00090C","","x-ray","1.54184","CuKα","","0.0809","0.0749","","","0.2022","0.219","","","","","","1.079","","","","has coordinates","274544","2022-04-15","00:40:54",""
"7158696","8.777","0.004","9.47","0.004","10.205","0.004","110.956","0.01","90.069","0.01","90.054","0.01","792.1","0.6","293","","293","","","","","","","","","5","P 1","P 1","1","","(S)-4-((R)-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl)-4-phenyl-1,3-dioxolan-2-one","","- C18 H14 Cl N O4 -","- C18 H14 Cl N O4 -","- C36 H28 Cl2 N2 O8 -","2","2","","Sathish, Elagandhula; Ansari, Arshad J.; Joshi, Gaurav; Pandit, Akansha; Shukla, Monika; Kumari, Neha; Sharon, Ashoke; Verma, Ved Prakash; Sawant, Devesh M.","Pd-catalysed [3+2]-Cycloaddition towards the generation of bioactive bis-heterocycles/Identification of COX-2 inhibitors via in silico analysis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00467D","","","0.71073","MoKα","","0.0758","0.0486","","","0.0842","0.0958","","","","","","1.128","","","","has coordinates","275469","2022-05-17","00:36:26",""
"7158860","9.4631","0.0007","12.7155","0.0011","19.298","0.0007","86.28","0.005","89.524","0.004","87.865","0.007","2315.5","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C51 H72 N6 -","- C51 H72 N6 -","- C102 H144 N12 -","2","2","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","1.54184","CuKα","","0.0986","0.0704","","","0.1841","0.2076","","","","","","1.023","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158901","8.3904","0.0003","9.2903","0.0003","11.4586","0.0004","77.406","0.002","89.956","0.002","77.501","0.002","850.03","0.05","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H32 N6 O14 -","- C36 H32 N6 O14 -","- C36 H32 N6 O14 -","1","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0382","0.0369","","","0.1091","0.1107","","","","","","1.106","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158915","9.672","0.002","11.175","0.003","15.326","0.003","93.479","0.004","93.467","0.004","92.039","0.004","1649.1","0.6","100","2","100.15","","","","","","","","THF/chloroform","3","P 1","P 1","1","cyclomer-1","1-pentamer","","- C78 H56 O22 -","- C78 H56 O22 -","- C78 H56 O22 -","1","1","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71073","MoKα","","0.0812","0.0493","","","0.0976","0.112","","","","","","1.044","","","","has coordinates,has disorder","278349","2022-10-05","00:43:28",""
"7158980","4.9797","0.0003","6.2209","0.0003","11.7288","0.0006","76.575","0.004","80.995","0.005","77.331","0.004","342.66","0.03","293","2","293","","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 F3 N2 O5 -","- C12 H13 F3 N2 O5 -","- C12 H13 F3 N2 O5 -","1","1","","Sharma, Nagendra K.; Gupta, Manish Kumar","New Amino acid, Hybrid Peptides and BODIPY Analogs: Synthesis and Evaluation of 2-Aminotroponyl-L-Alanine (ATA) Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01905A","","x-ray","0.71073","MoKα","","0.0562","0.0414","","","0.1025","0.1094","","","","","","1.0394","","","","has coordinates","279240","2022-11-12","01:49:20",""
"7159010","9.5195","0.0002","9.5196","0.0002","11.9808","0.0003","104.374","0.007","96.543","0.007","109.84","0.008","965.62","0.09","133","","133","","","","","","","","","4","P 1","P 1","1","","","","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","1","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0404","0.0375","","","0.09","0.0918","","","","","","1.026","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159163","9.2221","0.0005","9.3018","0.0006","13.1569","0.0008","72.678","0.003","89.071","0.003","76.638","0.003","1046.59","0.11","150","2","150","2","","","","","","","","5","P 1","P 1","1","Borbasa 725","","","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","1","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0895","0.0622","","","0.159","0.1868","","","","","","1.042","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159211","7.0036","0.0014","9.714","0.002","16.46","0.003","80.825","0.009","87.6","0.011","76.487","0.014","1074.9","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","glucominiotone A","","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","2","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0645","0.0586","","","0.1723","0.1817","","","","","","1.024","","","","has coordinates","283481","2023-05-05","03:25:08",""
"7159215","6.36191","0.00004","11.81085","0.00007","18.04153","0.00008","93.4492","0.0004","95.0225","0.0004","103.052","0.0005","1311.07","0.013","100","0.11","100","0.11","","","","","","","","4","P 1","P 1","1","","","","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","1","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","","0.0488","0.0476","","","0.1095","0.1105","","","","","","1.029","","","","has coordinates,has disorder","283466","2023-05-05","03:21:25",""
"7159217","6.3839","0.0001","11.7026","0.0002","17.9956","0.0002","92.243","0.001","92.111","0.001","102.967","0.002","1307.69","0.04","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H44 O3 Si -","- C27 H44 O3 Si -","- C54 H88 O6 Si2 -","2","2","","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","","0.0623","0.0601","","","0.1445","0.1457","","","","","","1.079","","","","has coordinates","283466","2023-05-05","03:21:37",""
"7159285","6.2002","0.0009","9.3687","0.0012","15.799","0.002","101.093","0.004","99.079","0.004","105.428","0.004","846.7","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 F5 N O4 -","- C16 H16 F5 N O4 -","- C32 H32 F10 N2 O8 -","2","2","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.0455","0.0326","","","0.0631","0.0673","","","","","","1.023","","","","has coordinates","284327","2023-06-05","04:56:51",""
"7159317","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","1","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","284324","2023-06-05","04:54:35",""
"7159318","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","1","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","284324","2023-06-05","04:55:33",""
"7159320","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","284324","2023-06-05","04:55:55",""
"7159495","5.7924","0.0003","11.1413","0.0005","12.024","0.0006","110.796","0.002","90.433","0.002","91.711","0.002","724.95","0.06","150","2","150","","","","","","","","","5","P 1","P 1","1","","","","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","1","1","","Yuan, Peng; Liu, Rui; Zhu, Hui-Min; Liao, Zhixin; Xiang, Jia-Chen; Wu, An-Xin","An I<sub>2</sub>-DMSO catalytic manifold enabled aromatization for C-ring editing of podophyllotoxone.","Organic & biomolecular chemistry","2023","21","32","6468","6473","10.1039/d3ob00927k","","","0.71073","MoKα","","0.0597","0.0526","","","0.1352","0.1408","","","","","","1.112","","","","has coordinates","286179","2023-09-05","20:21:06",""
"7159526","10.3827","0.0003","15.5971","0.0004","19.3486","0.0006","68.486","0.003","74.716","0.003","88.134","0.002","2804.72","0.16","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C60.5 H50.5 Cl4.5 N9 O6 -","- C60.5 H50.5 Cl4.5 N9 O6 -","- C121 H101 Cl9 N18 O12 -","2","2","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive <i>ortho</i>-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54178","CuKα","","0.0661","0.0627","","","0.1733","0.1767","","","","","","1.016","","","","has coordinates,has disorder","286809","2023-10-06","00:48:53",""
"7159530","9.8337","0.001","10.0674","0.001","11.425","0.0011","70.975","0.003","81.134","0.003","85.203","0.003","1055.84","0.18","272","","272","","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","1","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.1034","0.0663","","","0.1356","0.1498","","","","","","1.037","","","","has coordinates,has disorder","286798","2023-10-06","00:47:27",""
"7159654","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","288888","2024-01-06","09:38:58",""
"7159655","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","1","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","288888","2024-01-06","09:39:12",""
"7159656","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","1","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","288888","2024-01-06","09:39:27",""
"7159710","9.4004","0.0002","9.4572","0.0002","22.4551","0.0004","82.188","0.002","80.662","0.002","60.116","0.001","1704.38","0.06","295","2","295","","","","","","","","","6","P 1","P 1","1","","","","- C76 H88 N2 O8 P2 S2 -","- C76 H88 N2 O8 P2 S2 -","- C76 H88 N2 O8 P2 S2 -","1","1","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.0551","0.0477","","","0.1187","0.1272","","","","","","1.02","","","","has coordinates","289632","2024-02-04","12:30:00",""
"7159718","5.2134","0.0006","9.7698","0.001","15.9903","0.0012","96.982","0.007","91.685","0.008","96.327","0.009","802.73","0.14","297.6","","297.6","","","","","","","","","3","P 1","P 1","1","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","2","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.2517","0.0827","","","0.1546","0.2148","","","","","","0.87","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159818","7.856","0.0006","9.6968","0.0007","12.0012","0.0009","70.998","0.001","85.037","0.001","87.512","0.001","861.06","0.11","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","2","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.0813","0.0778","","","0.2146","0.2382","","","","","","1.088","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159863","8.0067","0.0018","10.661","0.002","23.119","0.005","79.169","0.006","85.466","0.006","85.116","0.006","1927.2","0.7","295","2","295","2","","","","","","","","5","P 1","P 1","1","","","","- C74.18 H106.96 Cl3 N4 O13.4 -","- C74.32 H107.3 Cl3 N4 O13.415 -","- C74.32 H107.3 Cl3 N4 O13.415 -","1","1","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.117","0.0868","","","0.2278","0.2616","","","","","","1.026","","","","has coordinates,has disorder","291687","2024-05-05","04:00:55",""
"7159864","9.117","0.002","12.119","0.003","14.803","0.004","82.309","0.005","78.83","0.005","70.106","0.005","1504.7","0.6","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H40 N2 O6 -","- C35 H40 N2 O6 -","- C70 H80 N4 O12 -","2","2","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.4131","0.0948","","","0.1585","0.2588","","","","","","0.919","","","","has coordinates,has disorder","291687","2024-05-05","04:00:55",""
"7159925","5.5136","0.0004","7.5778","0.0006","11.5822","0.0009","78.459","0.001","82.801","0.002","77.467","0.001","461.13","0.06","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C18 H24 O8 -","2","2","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus Chaetomium globosum SD-347","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00449C","","","1.54178","CuKα","","0.1001","0.0688","","","0.1576","0.1778","","","","","","1.053","","","","has coordinates","291429","2024-05-01","00:35:30",""
"7159927","7.9393","0.0003","12.0041","0.0005","12.3904","0.0005","86.79","0.002","89.802","0.002","73.896","0.002","1132.65","0.08","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H42 O3 -","- C25 H42 O3 -","- C50 H84 O6 -","2","2","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus Chaetomium globosum SD-347","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00449C","","","1.54178","CuKα","","0.083","0.0701","","","0.232","0.2412","","","","","","1.087","","","","has coordinates","291429","2024-05-01","00:35:31",""
"7200143","13.7323","","13.655","","13.8872","","91.2324","","105.339","","135.775","","1663.08","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C24 H24 N16 Zn4 -","- C24 H24 N16 Zn4 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200144","16.6271","","16.6548","","16.7851","","109.485","","109.441","","108.625","","3615.54","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200145","26.8755","","26.9156","","16.5745","","90.0223","","89.9957","","119.88","","10395.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C144 H144 N96 Zn24 -","- C144 H144 N96 Zn24 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200146","18.5541","","18.5075","","18.6002","","60.4969","","60.5442","","60.3932","","4565.17","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C60 H60 N40 Zn10 -","- C60 H60 N40 Zn10 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200147","18.8838","","18.9879","","26.3157","","45.7259","","46.089","","83.987","","3297.57","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200148","23.764","","23.7638","","23.7639","","118.093","","118.093","","118.093","","4761.33","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200379","11.4605","0.0005","11.6121","0.0006","13.1785","0.0006","90.294","0.001","99.549","0.001","94.075","0.001","1724.87","0.14","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","1","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0579","0.0535","","","0.134","0.1397","","","","","","1.049","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200489","6.4341","0.0012","7.3046","0.0014","8.8257","0.0017","85.98","0.004","88.527","0.004","83.187","0.004","410.79","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","1","1","","Serrano-Becerra, J. M.; Hernández-Ortega, S.; Morales-Morales, D.; Valdés-Martínez, J.","Bottom-up design and construction of a non-centrosymmetric network through π‒π stacking interactions","CrystEngComm","2009","11","2","226","228","10.1039/b816630g","","","0.71073","MoKα","","0.0411","0.0363","","","0.0752","0.0765","","","","","","0.911","","","","has coordinates","218392","2020-10-21","18:00:00",""
"7200506","8.635","0.001","8.67","0.001","14.688","0.002","89.29","0.01","88.85","0.01","60.12","0.01","953.3","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H60 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","1","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","0.71073","MoKα","","0.0687","0.0431","","","0.0945","0.1011","","","","","","0.884","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200545","8.8855","0.0004","10.8153","0.0004","13.0636","0.0005","97.313","0.002","109.121","0.002","107.198","0.002","1097.61","0.08","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C24 H30 Cu N2 O5 -","- C24 H30 Cu N2 O5 -","- C48 H60 Cu2 N4 O10 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0652","0.0311","","0.0561","0.0317","0.0317","","","","","","1.0829","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200643","7.9516","","6.5588","","27.0024","","90","","90","","90","","1408.26","","","","","","","","","","","","","5","P 1","P 1","1","","","","?","- C20 H20 Cl16 N20 Ti16 -","- C20 H20 Cl16 N20 Ti16 -","","","","Yamanaka, Shoji; Yasunaga, Toshihiro; Yamaguchi, Kosuke; Tagawa, Masahiro","Structure and superconductivity of the intercalation compounds of TiNCl with pyridine and alkali metals as intercalants","Journal of Materials Chemistry","2009","19","17","2573","","10.1039/b819541b","","","","","","","","","","","","","","","","","","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200761","13.30701","","23.74339","","7.91702","","90","","90.0001","","89.9999","","2501.41","","","","","","","","","","","","","2","P 1","P 1","1","","","","?","- C96 N128 -","- C96 N128 -","","","","Gracia, J.; Kroll, P.","Corrugated layered heptazine-based carbon nitride: the lowest energy modifications of C3N4 ground state","Journal of Materials Chemistry","2009","19","19","3013","","10.1039/b821568e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200794","5.9951","0.0012","6.5877","0.0013","15.83","0.003","86.69","0.03","83.08","0.03","76.01","0.03","602","0.2","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Bis(S-N-(1-phenylethyl)-2,5-dihdyropyrrolo)tetrathiafulvalene","","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","1","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0467","0.044","","","0.123","0.125","","","","","","1.302","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200798","7.6113","","15.303268","","50","","90","","90","","90.2618","","5823.83","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- H44 Na4 O88 Si32 -","- H44 Na4 O88 Si32 -","","","","Iozzi, Maria Francesca; Bisio, Chiara; Regi-Macedo, Thais; Airoldi, Claudio; Cossi, Maurizio; Marchese, Leonardo","Structural changes induced by dehydration in the crystalline layered silicate Na-RUB-18: a computational/experimental combined study","Journal of Materials Chemistry","2009","19","17","2610","","10.1039/b822013c","","","","","","","","","","","","","","","","","","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200799","7.62564","","15.381577","","50","","90","","90","","90.1302","","5864.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- H28 Na4 O80 Si32 -","- H28 Na4 O80 Si32 -","","","","Iozzi, Maria Francesca; Bisio, Chiara; Regi-Macedo, Thais; Airoldi, Claudio; Cossi, Maurizio; Marchese, Leonardo","Structural changes induced by dehydration in the crystalline layered silicate Na-RUB-18: a computational/experimental combined study","Journal of Materials Chemistry","2009","19","17","2610","","10.1039/b822013c","","","","","","","","","","","","","","","","","","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200875","9.5553","0.0002","9.6147","0.0002","11.1816","0.0003","104.235","0.001","107.076","0.001","96.8","0.001","931.47","0.04","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H48 Cu2 N4 O8 -","- C36 H48 Cu2 N4 O8 -","- C36 H48 Cu2 N4 O8 -","1","1","","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","","0.0521","0.0361","","","0.0688","0.0747","","","","","","1.027","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200981","4.8023","0.0002","9.3324","0.0003","12.6403","0.0004","70.868","0.002","80.91","0.002","77.056","0.002","519.41","0.03","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","1","1","","Nagarajan, Subbiah; Mohan Das, Thangamuthu; Arjun, Pandian; Raaman, Nanjian","Design, synthesis and gelation studies of 4,6-O-butylidene-α,β-unsaturated-β-C-glycosidic ketones: application to plant tissue culture","Journal of Materials Chemistry","2009","19","26","4587","","10.1039/b902064k","","","0.71073","MoKα","","0.0526","0.043","","","0.116","0.1319","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201486","24.3284","","24.3005","","10.0656","","90.0089","","89.9894","","119.734","","5167.23","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201487","33.4703","","33.4703","","33.4703","","60","","60","","60","","26513.3","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201488","24.4663","","24.3965","","24.5397","","79.9602","","110.673","","144.948","","7689.44","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201489","34.9595","","34.9595","","14.5821","","90","","90","","120","","15434.1","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C216 H216 N144 Zn36 -","- C216 H216 N144 Zn36 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201490","21.6837","","21.7123","","21.6859","","101.82","","101.84","","126.45","","7312.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201491","9.9949","","15.3976","","15.18","","89.9998","","98.5469","","90.0003","","2310.22","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201492","32.1539","","32.1539","","32.1539","","60","","60","","60","","23506.4","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201493","9.6719","","24.1597","","24.3574","","89.9981","","90.0017","","90.0142","","5691.6","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201494","18.9633","","18.9628","","16.7727","","89.9997","","90","","89.9996","","6031.42","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201495","15.4231","","15.4042","","18.4379","","90.0004","","90.0018","","90.0007","","4380.49","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201496","16.8046","","16.7764","","16.8139","","112.854","","112.824","","103.417","","3594.27","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201497","14.2311","","14.3093","","14.2833","","107.216","","106.405","","107.155","","2427.12","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201498","14.7363","","14.7801","","14.764","","109.61","","109.469","","109.356","","2474.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201499","22.9134","","22.9102","","15.882","","90.1202","","90.0148","","119.949","","7223.99","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201500","17.9844","","17.9841","","18.0545","","97.2362","","97.2326","","138.559","","3611.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7202323","10.2047","0.0009","11.3457","0.0009","11.5102","0.001","89.299","0.001","77.705","0.001","82.604","0.001","1291.09","0.19","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","1","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0727","0.0575","","","0.15","0.1643","","","","","","1.051","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202613","11.2283","0.0003","12.835","0.0003","13.7238","0.0004","66.37","0.001","88.669","0.001","65.326","0.001","1621.68","0.08","123","2","123","2","","","","","","","","4","P 1","P 1","1","","Lanthanum (R)-4-(2,3-dihydroxypropoxy) benzoate","","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","1","1","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0167","0.0163","","","0.0401","0.0403","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202788","4.7566","0.0012","6.225","0.002","10.116","0.017","72.97","0.06","85.49","0.08","80.83","0.03","282.6","0.5","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","1","1","","Erik Schwartz; Heather J. Kitto; René de Gelder; Roeland J. M. Nolte; Alan E. Rowan; Jeroen J. L. M. Cornelissen","Synthesis, characterisation and chiroptical properties of ?click?able polyisocyanopeptides","Journal of Materials Chemistry","2007","17","19","1876","","10.1039/b701922j","","","0.71073","MoKα","","0.1154","0.0698","","0.1591","0.1399","0.1591","","","1.026","","","1.026","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7203041","9.5399","0.0009","12.0328","0.0011","12.2882","0.0012","101.156","0.004","100.498","0.004","99.211","0.004","1332.6","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - pyridine clathrate (1:1)","","","- C23 H40 N4 O4 -","- C23 H40 N4 O4 -","- C46 H80 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0959","0.0757","","","0.1945","0.2169","","","","","","1.038","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203042","9.5544","0.0005","12.1536","0.0007","12.369","0.0007","102.81","0.003","105.373","0.002","97.475","0.002","1322.91","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 2-methylpyridine clathrate (1:1:0.12)","","","- C24 H42.24 N4 O4.12 -","- C24 H42 N4 O4.125 -","- C48 H84 N8 O8.25 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0573","0.0534","","","0.1418","0.1456","","","","","","1.038","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203043","9.5671","0.0014","12.091","0.002","12.44","0.002","102.069","0.008","101.335","0.007","99.598","0.007","1346.9","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 3-methylpyridine clathrate (1:1)","","","- C24 H42 N4 O4 -","- C24 H42 N4 O4 -","- C48 H84 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.1744","0.1291","","","0.3111","0.3669","","","","","","1.114","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203051","15.067","0.01","15.478","0.007","23.36","0.02","101.02","0.06","99.84","0.08","105.1","0.04","5021","6","100","2","100","2","","","","","","","","4","P 1","P 1","1","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","","- C150 H165.28 N8 O142.05 -","- C150 H165.28 N8 O142.06 -","- C150 H165.28 N8 O142.06 -","1","1","","Chatziefthimiou, Spyros D.; Yannakopoulou, Konstantina; Mavridis, Irene M.","β-Cyclodextrin trimers enclosing an unusual organization of guest: The inclusion complex β-cyclodextrin/4-pyridinealdazine","CrystEngComm","2007","9","11","976","","10.1039/b709155a","","","0.8015","SYNCHROTRON","","0.0681","0.0653","","","0.1772","0.1804","","","","","","1.037","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203070","9.5293","0.0004","11.168","0.0005","37.6039","0.0016","81.788","0.002","86.147","0.001","66.364","0.001","3628.4","0.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H46 Fe N O13 S32 -","- C54 H46 Fe N O13 S32 -","- C108 H92 Fe2 N2 O26 S64 -","2","2","","Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth","Metallic molecular crystals containing chiral or racemic guest molecules","CrystEngComm","2007","9","10","865","","10.1039/b709558a","","","0.71073","MoKα","","0.1094","0.0835","","","0.1869","0.2113","","","","","","1.088","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203287","11.104","0.0004","12.3528","0.0005","12.8493","0.0005","112.138","0.002","98.411","0.002","103.464","0.002","1533.17","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","1","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0244","0.0231","","","0.0583","0.0592","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203356","9.18","0.0016","9.2312","0.0016","9.2851","0.0017","115.971","0.003","96.663","0.003","110.403","0.002","628.39","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","1","1","","Davies, Hywel O.; Jones, Anthony C.; McKinnell, Elizabeth A.; Raftery, James; Muryn, Christopher A.; Afzaal, Mohammad; O'Brien, Paul","Tantalum(v) diethylamide, [Ta(NEt2)5]: a potentially important and crystalline precursor for the CVD of oxides containing tantalum","Journal of Materials Chemistry","2006","16","23","2226","","10.1039/b602986h","","","0.71073","MoKα","","0.0379","0.0349","","","0.0872","0.0908","","","","","","1.086","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203365","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Blanca Ruiz; Zhou Yang; Volker Gramlich; Mojca Jazbinsek; Peter Günter","Synthesis and crystal structure of a new stilbazolium salt with large second-order optical nonlinearity","Journal of Materials Chemistry","2006","16","27","2839","","10.1039/b603049a","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203485","8.63","0.0001","11.3501","0.0001","11.4308","0.0001","65.221","0.001","89.753","0.001","82.527","0.001","1006.37","0.019","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C29 H30 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","1","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0394","0.0382","","","0.0677","0.0685","","","","","","0.963","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203751","9.373","0.003","10.796","0.003","18.074","0.005","78.215","0.005","81.104","0.005","89.636","0.005","1768.2","0.9","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","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","","0.1471","0.0594","","","0.1082","0.1335","","","","","","0.883","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203752","9.3931","0.0016","10.8023","0.0018","18.105","0.003","78.274","0.003","81.002","0.003","89.577","0.003","1776","0.5","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","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","","0.1041","0.0498","","","0.0667","0.0794","","","","","","0.924","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203976","6.438","0.001","19.151","0.002","3.93","0.001","92.69","0.02","95.76","0.02","93.7","0.01","480.4","0.15","293.2","","293.2","","","","","","","","","6","P 1","P 1","1","","","","- C12 H6 F2 S4 Se4 Ta0.33 -","- C12 H6 F1.98 S4 Se4 Ta0.33 -","- C12 H6 F1.98 S4 Se4 Ta0.33 -","1","1","","Fujiwara, Hideki; Misaki, Yohji; Yamabe, Tokio; Mori, Takehiko; Mori, Hatsumi; Tanaka, Shoji","Preparation, structures and physical properties of selenium analogues of DTEDT as promising donors for organic metals","Journal of Materials Chemistry","2000","10","7","1565","","10.1039/b002790l","","","0.7107","MoKα","","","0.0434","","","0.0474","","","","","2.364","2.364","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204024","11.666","0.003","19.62","0.004","9.523","0.002","96.38","0.04","112.72","0.02","89.35","0.03","1996.9","0.9","293","2","293","2","","","","","","","Local laboratory","5","P 1","P 1","1","","","","- C62 H48 N8 O2 S32 -","- C64 H24 N8 S32 -","- C64 H24 N8 S32 -","1","1","","Saito, Gunzi; Sekizaki, Shuichi; Konsha, Akihiko; Yamochi, Hideki; Matsumoto, Kiyoshi; Kusunoki, Masami; Sakaguchi, Ken-ichi","A stable and flexible dianion: 2­dicyanomethylene­1,1,3,4,5,5­hexacyanopentenediide (DHCP2−), and its complex formation","Journal of Materials Chemistry","2001","11","2","364","","10.1039/b006426m","","","0.71069","MoKα","","0.1314","0.0521","","1.2934","0.1301","","","","1.084","1.157","1.157","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204281","5.0379","0.0003","10.1066","0.0007","12.7865","0.0009","83.577","0.002","81.897","0.002","76.475","0.002","624.55","0.07","160","2","160","2","","","","","","","","4","P 1","P 1","1","N-Z-hPhe-[CN4]-Gly-OBn","","","- C27 H27 N5 O4 -","- C27 H27 N5 O4 -","- C27 H27 N5 O4 -","1","1","","Barnaby C. H. May; Andrew D. Abell","α-Methylene tetrazole-based peptidomimetics: synthesis and inhibition of HIV protease","J. Chem. Soc., Perkin Trans. 1","2002","","2","172","178","10.1039/b109128j","","","0.71073","MoKα","","0.0427","0.0359","","0.0957","0.0898","","","","1.064","1.068","1.068","","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204326","7.213","0.003","19.856","0.005","4.041","0.0009","92.08","0.01","89.61","0.02","95.59","0.01","575.6","0.3","295","2","","","","","","","","","Local laboratory","5","P 1","P 1","1","","","","- C22 H12 N4 O2 S6 -","- C22 H12 N4 O2 S6 -","- C22 H12 N4 O2 S6 -","1","1","","Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki","Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability","Journal of Materials Chemistry","2002","12","6","1640","","10.1039/b110605h","","","0.71073","MoK-alpha","","","0.057","","","0.134","","","","","1.071","1.071","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204329","7.541","0.001","9.169","0.0008","15.216","0.002","93.948","0.007","101.68","0.006","106.924","0.008","976.5","0.2","295","2","","","","","","","","","Local laboratory","4","P 1","P 1","1","","","","?","- C34 N16 O2 S10 -","- C34 N16 O2 S10 -","1","1","","Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki","Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability","Journal of Materials Chemistry","2002","12","6","1640","","10.1039/b110605h","","","0.71073","MoK-alpha","","","0.063","","","0.161","","","","","1.264","1.264","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204345","15.475","0.007","15.466","0.008","15.72","0.004","101.86","0.02","101.91","0.02","103.77","0.03","3445","3","100","2","100","2","","","","","","","","3","P 1","P 1","1","ß-Cyclodextrin/(Z)-7-Tetradecenal complex","","","- C103.6 H218.6 O92.5 -","- C103.6 H159.22 O92.033 -","- C103.6 H159.22 O92.033 -","1","1","","Yannakopoulou, Konstantina; Ripmeester, John A.; Mavridis, Irene M.","Release of the Prays oleae pheromone as a consequence of supramolecular structure: study of the ??-cyclodextrin-(Z)-tetradec-7-en-1-al complex by X-ray crystallography and NMR spectroscopy in the solid state and in solution","Journal of the Chemical Society, Perkin Transactions 2","2002","","9","1639","","10.1039/b111632k","","","0.65","","","0.0815","0.0699","","","0.1965","0.2154","","","","","","1.053","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204429","7.4742","0.001","14.29","0.003","14.776","0.003","62.376","0.011","77.377","0.019","79.801","0.012","1359.2","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","[26,27 ^2^H~6~] 24-epicathasteron","[26,27-^2^H~6~] (22S,24S)-3β,22-dihydroxy-5α-ergostan-6-one","","- C28 H44 D6 O4 -","- C28 H44 D6 O4 -","- C56 H88 D12 O8 -","2","2","","Adelheid Kolbe; Petra Fuchs; Andrea Porzel; Ute Baumeister; Alfred Kolbe; Günter Adam","Synthesis and crystal structure of [26,27-2H6] 24-epi-cathasterone","J. Chem. Soc., Perkin Trans. 1","2002","","17","2022","2027","10.1039/b203323b","","","0.71073","MoKα","","0.2502","0.0723","","","0.0985","0.1521","","","","","","1.018","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204454","9.566","0.014","10.366","0.01","12.983","0.019","104.99","0.09","111.71","0.11","65.14","0.09","1077","3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","5-deoxy-5-C-(iododiphenylstannyl)-1,2-O-isopropylidene-alpha-D -xylofuranose","","- C20 H23 I O4 Sn -","- C20 H23 I O4 Sn -","- C40 H46 I2 O8 Sn2 -","2","2","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0517","0.0459","","","0.1127","0.1173","","","","","","1.059","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204455","9.445","0.0003","10.2372","0.0003","12.8723","0.0006","105.124","0.0012","111.398","0.0012","65.334","0.003","1044.38","0.07","150","2","150","2","","","","","","","","5","P 1","P 1","1","","5-deoxy-5-C-(iododiphenylstannyl)-1,2-O-isopropylidene-alpha-L- xylofuranose","","- C20 H23 I O4 Sn -","- C20 H23 I O4 Sn -","- C40 H46 I2 O8 Sn2 -","2","2","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.0834","0.0468","","","0.1003","0.1163","","","","","","1.01","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204558","9.3592","0.001","10.577","0.004","24.232","0.003","78.042","0.017","83.862","0.007","76.41","0.014","2276.7","1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H36 F6 N3 O P -","- C8.5 H16 F3 N1.5 O0.5 P0.5 -","- C34 H64 F12 N6 O2 P2 -","4","4","","Lee, Kwang-Ming; Lee, Yi-Ting; Lin, Ivan J. B.","Supramolecular liquid crystals of amide functionalized imidazolium saltsElectronic supplementary information (ESI) available: IR, proton and carbon NMR data for all compounds. See http://www.rsc.org/suppdata/jm/b2/b210562d/","Journal of Materials Chemistry","2003","13","5","1079","","10.1039/b210562d","","","0.71073","MoKα","","0.1817","0.0958","","","0.2523","0.3117","","","","","","1.011","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204677","5.2961","0.0002","7.8521","0.0003","7.9506","0.0004","90.03","0.002","106.037","0.002","95.972","0.003","315.89","0.02","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H8 Li N O4 -","- C5 H8 Li N O4 -","- C10 H16 Li2 N2 O8 -","2","2","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium l-hydrogen-?-glutamate: A layer structure with asymmetrical tunnels formed by nets with two different macrocycles","CrystEngComm","2003","5","45","262","","10.1039/b304689c","","","0.71073","MoKα","","0.0278","0.0262","","","0.0614","0.0627","","","","","","1.067","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204701","9.709","0.004","9.885","0.004","10.814","0.005","76.06","0.02","83.63","0.02","87.07","0.03","1000.8","0.7","294","","","","","","","","","","","7","P 1","P 1","1","","","","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","1","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.061","","","","0.068","","","","","","1.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204846","14.62","0.003","16.079","0.004","16.193","0.004","78.201","0.004","80.798","0.004","76.345","0.004","3595.8","1.5","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","1","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.0581","0.0506","","","0.1384","0.146","","","","","","1.038","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204880","4.0302","0.0006","6.24","0.001","8.22","0.001","104.97","0.01","92.28","0.03","91.73","0.01","199.37","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","4-ethynyl-2,3,5,6-tetrafluoroanisole","4-ethynyl-2,3,5,6-tetrafluoroanisole","","- C9 H4 F4 O -","- C9 H4 F4 O -","- C9 H4 F4 O -","1","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0367","0.034","","","0.108","0.1101","","","","","","1.255","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205146","7.4649","0.0016","11.9022","0.0018","14.8739","0.0011","95.276","0.002","91.966","0.002","107.856","0.003","1249.8","0.3","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.045","0.0362","","","0.0725","0.0759","","","","","","1.081","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205147","7.4606","0.0012","11.9298","0.0018","14.8726","0.0009","95.338","0.002","91.95","0.001","107.916","0.001","1251.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0495","0.0386","","","0.0867","0.0929","","","","","","1.001","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205148","6.0782","0.0012","7.4777","0.0015","14.9506","0.001","87.655","0.01","82.692","0.01","71.802","0.001","640.29","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.044","0.0411","","","0.1009","0.1029","","","","","","1.058","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205149","6.1181","0.0017","7.498","0.001","15.0901","0.0014","87.224","0.002","82.128","0.002","71.99","0.001","652.1","0.2","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0605","0.0452","","","0.0945","0.1013","","","","","","1.035","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205219","8.356","0.0006","9.822","0.0007","9.904","0.0007","68.292","0.001","85.2","0.001","82.759","0.001","748.57","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","1","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0586","0.0448","","","0.0781","0.0826","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205361","9.7792","0.0013","11.3331","0.0014","15.924","0.002","71.042","0.002","85.29","0.002","70.907","0.002","1576.7","0.3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","1","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0445","0.0401","","","0.1021","0.1054","","","","","","1.041","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205369","7.549","0.001","9.734","0.0013","11.35","0.0016","96.452","0.008","103.358","0.007","110.027","0.007","745.47","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","3-ferrocenyl-4-methoxybenzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C38 H32 Fe2 O2 S2 -","2","2","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.036","0.0333","","","0.0782","0.0903","","","","","","1.072","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205444","4.2653","0.0001","10.5529","0.0004","26.0208","0.0007","79.685","0.003","86.626","0.003","85.887","0.003","1148.07","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C46 H38 F6 N8 O10 S2 -","2","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0685","0.0594","","","0.1481","0.1544","","","","","","1.057","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205485","6.188","0.0001","7.2073","0.0002","8.7257","0.0003","102.042","0.001","104.124","0.001","113.839","0.001","323.824","0.016","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","1","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.017","0.0169","","","0.0431","0.0431","","","","","","1.07","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205594","9.4536","0.0019","9.946","0.002","17.296","0.004","98.88","0.03","98.57","0.03","91.31","0.03","1587.1","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMA solvate","","- C38 H43 N O5 -","- C38 H43 N O5 -","- C76 H86 N2 O10 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0285","0.0266","","","0.0659","0.0676","","","","","","1.061","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205632","7.102","0.0002","8.033","0.0002","11.9154","0.0003","95.252","0.001","104.65","0.001","99.577","0.001","642.12","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 N O6 S -","- C12 H13 N O6 S -","- C24 H26 N2 O12 S2 -","2","2","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0282","0.0268","","","0.0706","0.0801","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205633","7.075","0.0003","8.3144","0.0004","11.1366","0.0005","94.937","0.003","102.315","0.003","102.312","0.003","619.34","0.05","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","1","1","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0871","0.0543","","","0.1215","0.1391","","","","","","1.028","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205663","4.9179","0.0005","5.4897","0.0007","9.5322","0.0011","92.426","0.009","102.087","0.009","94.81","0.009","250.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","1","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0629","0.0375","","","","0.0737","","","","","","0.804","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205894","6.0496","0.0013","8.1335","0.0017","19.475","0.004","84.322","0.005","81.261","0.004","89.672","0.005","942.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","1","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0549","0.0521","","","0.129","0.1304","","","","","","1.127","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205897","6.7676","0.0006","7.2311","0.0007","14.1591","0.0013","82.763","0.002","84.102","0.002","66.047","0.002","627.17","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H8 Ba O6 -","- C15 H8 Ba O6 -","- C30 H16 Ba2 O12 -","2","2","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0267","0.0261","","","0.0683","0.0687","","","","","","1.054","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7206558","4.7787","0.0002","6.5029","0.0004","13.9073","0.0005","78.371","0.003","83.747","0.003","87.099","0.004","420.6","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","1","1","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0568","","","","0.1655","","","","","","1.049","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206585","6.615","0.0003","7.661","0.0003","10.267","0.0006","83.806","0.002","83.545","0.002","77.497","0.003","502.87","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 Au N4 O -","- C21 H22 Au N4 O -","- C21 H22 Au N4 O -","1","1","","Lacroix, Pascal G.; Munoz, M. Carmen; Gaspar, Ana Belén; Real, José Antonio; Bonhommeau, Sébastien; Rodriguez, Vincent; Nakatani, Keitaro","Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide counter-ion","Journal of Materials Chemistry","2011","21","40","15940","","10.1039/c1jm12105g","","","0.71073","MoKα","","0.0394","0.036","","","0.0948","0.0981","","","","","","1.017","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206661","8.3361","0.0007","10.7845","0.0009","12.6902","0.0016","104.841","0.005","104.913","0.006","105.793","0.004","993.4","0.18","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","1","1","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0533","0.0402","","","0.0906","0.1051","","","","","","1.032","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206748","5.707","0.003","8.886","0.005","9.503","0.005","71.733","0.005","79.378","0.009","84.199","0.009","449.3","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.1234","0.0849","","","0.2049","0.2317","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206749","5.7108","0.0017","9.011","0.003","9.451","0.003","70.55","0.003","81.022","0.004","85.818","0.003","452.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0386","0.0333","","","0.0871","0.0908","","","","","","1.059","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206750","5.441","0.004","8.892","0.006","9.554","0.007","74.542","0.008","82.346","0.008","76.224","0.008","431.5","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0348","0.0325","","","0.0941","0.0971","","","","","","1.034","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206802","8.9857","0.0002","9.4136","0.0002","17.9866","0.0004","83.674","0.002","76.62","0.002","79.597","0.002","1452.09","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (S)2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (S)2-methyl-1-butanol","","- C60 H76 N4 O14 -","- C50 H51.17 N4 O12 -","- C50 H51.17 N4 O12 -","1","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0727","0.0483","","","0.1363","0.1451","","","","","","0.903","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7207043","9.755","0.002","10.131","0.002","13.114","0.003","75.536","0.017","71.965","0.018","62.562","0.015","1084.9","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.0795","0.0469","","","0.1121","0.1301","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207145","7.0505","0.0009","7.7448","0.0009","8.4534","0.0009","107.543","0.01","95.451","0.01","98.716","0.01","430.17","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","1","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0525","0.0434","","","0.0959","0.1028","","","","","","0.856","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207438","11.499","0.005","11.793","0.005","12.374","0.005","94.564","0.007","101.799","0.007","105.126","0.007","1569.9","1.1","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULPHONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26 H36.5 Cl0.5 O14 S -","- C26.125 H36.25 Cl0.25 O14 S -","- C52.25 H72.5 Cl0.5 O28 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.1169","0.0779","","","0.1893","0.2207","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207439","12.404","0.004","12.492","0.004","13.331","0.004","99.188","0.005","109.62","0.005","116.837","0.004","1612.7","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H39 N O14.5 S -","- C28 H39 N O14.25 S -","- C56 H78 N2 O28.5 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0412","0.0398","","","0.1044","0.1061","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207440","12.401","0.004","12.587","0.004","13.25","0.004","98.697","0.005","108.729","0.005","117.919","0.004","1614.4","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H39 N O16 S -","- C27 H39 N O16.125 S -","- C54 H78 N2 O32.25 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0836","0.0811","","","0.2324","0.2352","","","","","","1.091","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207574","7.9357","0.0007","9.105","0.0008","11.1952","0.0009","73.746","0.001","88.687","0.001","86.193","0.001","774.85","0.11","294","2","294","2","","","","","","","","6","P 1","P 1","1","Dutasteride chloride hydrate ethanol solvate","","","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","1","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0479","0.0448","","","0.101","0.1031","","","","","","1.072","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207689","7.3224","0.0009","10.0224","0.0012","16.631","0.002","102.112","0.005","92.853","0.006","91.309","0.006","1191.2","0.3","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C9 H34 N3 Na2 O18 P -","- C9 H34 N3 Na2 O18 P -","- C18 H68 N6 Na4 O36 P2 -","2","2","","Perras, Frédéric A; Korobkov, Ilia; Bryce, David L.","(23)Na double-rotation NMR of sodium nucleotides leads to the discovery of a new dCMP hendecahydrate.","Physical chemistry chemical physics : PCCP","2012","14","14","4677","4681","10.1039/c2cp40273d","","","0.71073","MoKα","","0.0632","0.0568","","","0.1482","0.1544","","","","","","1.061","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7207878","8.909","0.005","8.91","0.005","20.68","0.005","90.753","0.005","99.662","0.005","99.077","0.005","1596.7","1.3","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H42 Ni O14 -","- C28 H42 Ni O14 -","- C56 H84 Ni2 O28 -","2","2","","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","","","0.71069","MoKα","","0.1249","0.0812","","","0.2019","0.2288","","","","","","1.256","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7208406","7.529","0.003","7.752","0.003","10.903","0.003","71.991","0.012","76.257","0.015","83.426","0.014","587.3","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","1","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0223","0.0206","","","0.0504","0.072","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208457","5.08996","0.00015","5.8843","0.0002","6.5214","0.0002","96.452","0.003","103.859","0.003","102.076","0.003","182.703","0.011","295","2","295","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0334","0.0291","","","0.0701","0.0729","","","","","","1.04","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208458","5.07618","0.00015","5.8583","0.0002","6.5043","0.0002","96.3","0.003","103.661","0.003","102.203","0.003","181.091","0.011","250","2","250","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0731","0.0746","","","","","","1.053","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208459","5.06381","0.00014","5.83621","0.00018","6.4864","0.0002","96.162","0.003","103.409","0.003","102.331","0.003","179.669","0.01","200","2","200","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0263","0.0252","","","0.0646","0.0652","","","","","","1.085","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208460","5.053","0.00017","5.81773","0.00018","6.4717","0.0002","96.051","0.003","103.212","0.003","102.439","0.003","178.456","0.011","150","2","150","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0244","0.0237","","","0.0615","0.0621","","","","","","1.07","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208461","5.04324","0.00014","5.80332","0.00017","6.4627","0.0002","95.944","0.003","103.086","0.003","102.516","0.003","177.525","0.01","100","2","100","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0236","0.0232","","","0.0604","0.0608","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208573","8.3845","0.0003","8.9098","0.0004","13.2841","0.0007","83.81","0.004","80.223","0.004","84.612","0.003","969.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O7 -","- C20 H17 N3 O7 -","- C40 H34 N6 O14 -","2","2","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54178","CuKα","","0.0429","0.0378","","","0.1041","0.1161","","","","","","1.114","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7209155","7.7287","0.0006","11.521","0.0009","16.5589","0.0013","81.143","0.002","79.051","0.002","89.485","0.002","1430.03","0.19","173","2","173","2","","","","","","","","4","P 1","P 1","1","di-(propylammonium deoxycholate) hydrate","di-(propylammonium deoxycholate) hydrate","","- C54 H106.26 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","1","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","","0.0543","0.0442","","","0.107","0.1134","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209546","6.2112","0.0008","8.1879","0.0011","8.9824","0.0012","84.843","0.003","70.837","0.003","77.402","0.003","421.03","0.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4- PhCOOH)","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4-PhCOOH)","","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","1","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0489","0.0433","","","0.1123","0.1149","","","","","","1.065","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209773","5.1562","0.0002","8.325","0.0004","9.8583","0.0007","100.801","0.005","102.284","0.004","90.371","0.003","405.68","0.04","295","2","295","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1","P 1","1","p-toluenesulfonamide","","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C14 H18 N2 O4 S2 -","2","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.0539","0.0421","","","0.0893","0.0972","","","","","","1.027","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209891","11.138","0.006","11.333","0.006","15.819","0.008","102.563","0.002","109.028","0.005","99.004","0.005","1785.6","1.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C52 H72 N2 Ni2 O14 S20 -","2","2","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0519","0.0411","","","0.1155","0.1343","","","","","","0.869","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209892","8.752","0.004","10.936","0.007","11.13","0.007","84.99","0.03","67.779","0.018","70.16","0.02","926.6","0.9","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","1","1","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0754","0.0419","","","0.0961","0.1318","","","","","","0.97","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209947","7.904","0.002","12.189","0.003","15.721","0.003","106.65","0.02","103.48","0.02","98.91","0.03","1370.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3-nitrobenzoyl)-L-valinate brucine pentahydrate","","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","1","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1019","0.0511","","","0.0744","0.0902","","","","","","0.964","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210056","14.1443","0.0015","14.3491","0.0015","15.0776","0.0016","109.334","0.005","105.904","0.005","99.933","0.005","2657.6","0.5","210","2","210","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C116 H64 F16 I8 N8 -","2","2","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.1804","0.0874","","","0.1678","0.2062","","","","","","1.047","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210321","9.5388","0.0004","9.6007","0.0003","11.3978","0.0005","83.76","0.003","84.192","0.003","69.97","0.004","972.57","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","1","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.031","0.0285","","","0.0815","0.0863","","","","","","1.162","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210338","7.924","0.002","12.14","0.003","20.495","0.003","73.21","0.02","79.37","0.02","80.53","0.03","1842.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 5-solvate","","- C36.5 H46 N6 O14.5 -","- C36.5 H45.998 N6 O14.4995 -","- C73 H91.996 N12 O28.999 -","2","2","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1573","0.0631","","","0.1103","0.1335","","","","","","0.845","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210387","8.968","0.0003","10.388","0.0004","11.414","0.0004","99.427","0.003","112.791","0.002","90.988","0.003","963.25","0.06","298","2","298","2","","","","","","","Crystal Screening","6","P 1","P 1","1","lamivudine 4,5-dichloro hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one 4,5-dichloro hydrogen phthalate","","- C16 H15 Cl2 N3 O7 S -","- C16 H15 Cl2 N3 O7 S -","- C32 H30 Cl4 N6 O14 S2 -","2","2","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","x-ray","0.71073","MoKα","","0.0615","0.0451","","","0.1098","0.12","","","","","","1.019","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210398","5.1041","0.0007","5.9092","0.0008","6.5261","0.001","96.484","0.012","103.696","0.013","101.969","0.011","184.34","0.05","298","2","298","2","","","","","","","","5","P 1","P 1","1","NAC","N-acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0532","0.0522","","","0.1418","0.1426","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210488","8.2119","0.0008","8.7239","0.0009","14.2024","0.0014","90.923","0.002","96.679","0.002","99.903","0.002","994.82","0.17","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","1","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0832","0.0846","","","","","","1.01","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210490","6.9339","0.0005","8.4735","0.0006","15.3249","0.001","75.124","0.002","82.496","0.002","80.882","0.002","855.41","0.1","223","2","223","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C34 H44 N8 O8 -","2","2","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0806","0.0617","","","0.1327","0.1532","","","","","","1.049","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210585","11.3955","0.0004","12.1907","0.0005","12.5537","0.0005","65.085","0.004","74.281","0.003","75.437","0.003","1503.55","0.11","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H67 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0733","0.0702","","","0.186","0.1881","","","","","","1.03","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210586","11.4202","0.0005","12.2341","0.0006","12.6593","0.0007","64.764","0.005","73.918","0.004","75.541","0.004","1519.57","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H51 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.067","0.0607","","","0.158","0.1634","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210644","4.79","0.0001","8.28058","0.00017","16.2189","0.0004","105.827","0.0014","91.591","0.0013","98.634","0.0014","610.31","0.02","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0449","","","","0.1981","","","","","","1.206","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7211000","5.893","0.0007","8.8346","0.0011","15.801","0.002","99.553","0.006","99.826","0.007","109.432","0.006","742.11","0.17","296","2","296","2","","","","","","","synthesis","7","P 1","P 1","1","complex2","Complex2","","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","1","1","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.0647","0.057","","","0.1466","0.1515","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211511","18.268","0.009","15.504","0.008","15.428","0.009","102.53","0.01","113.29","0.02","99.97","0.01","3751","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","cyclomaltoheptaose + 3-ethyl-4-methyl-N-(2-(4-((4- methylcyclohexyl)carbamoyl sulfamoyl)phenyl)ethyl) sulfamoyl)phenyl)ethyl)-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","cyclomaltoheptaose + 3-ethyl-4-methyl-N-[2-[4- [(4-methylcyclohexyl)carbamoyl sulfamoyl]phenyl]ethyl] sulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","1","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","","0.1069","0.0856","","","0.2279","0.2528","","","","","","1.126","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211597","5.721","0.003","11.617","0.005","24.595","0.011","93.91","0.008","90.624","0.008","103.852","0.008","1582.7","1.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C18.644 H15.5 N O2 -","- C74.576 H62 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.1779","0.106","","","0.2748","0.3283","","","","","","0.906","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211598","5.702","0.003","11.6","0.007","24.523","0.014","93.589","0.013","90.734","0.012","103.756","0.011","1571.8","1.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C17.875 H16.125 N O2 -","- C71.5 H64.5 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2764","0.2123","","","0.4897","0.5365","","","","","","1.536","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211601","5.7162","0.0012","11.563","0.003","24.621","0.005","94.133","0.005","90.21","0.003","104.275","0.003","1572.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C72 H88 N4 O8 -","2","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0896","0.0472","","","0.1236","0.1673","","","","","","0.869","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211815","8.0578","0.0002","10.6254","0.0002","17.1987","0.0003","82.343","0.001","78.997","0.001","71.053","0.001","1363.09","0.05","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","1","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.03","0.0259","","","0.051","0.0527","","","","","","0.977","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211850","11.2784","0.0013","22.6","0.003","22.521","0.005","104.626","0.014","100.215","0.014","96.241","0.009","5394.9","1.6","90","2","90","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C160 H128 N32 Ni8 O76.53 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","1","1","","Fernández de Luis, Roberto; Urtiaga, Miren Karmele; Mesa, José Luis; Aguayo, Andrés Tomás; Rojo, Teófilo; Arriortua, María Isabel","Four nodal self-catenated [{Ni8(Bpy)16}V24O68]·8.5(H2O), combining three dimensional metal‒organic and inorganic frameworks","CrystEngComm","2010","12","6","1880","","10.1039/b915539b","","x-ray","1.5418","CuKα","","0.0727","0.054","","","0.1314","0.1454","","","","","","1.026","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211876","6.2994","0.0013","8.9181","0.0018","12.448","0.003","77.22","0.03","78.95","0.03","71","0.03","639.4","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","1","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0229","0.0226","","","0.0577","0.058","","","","","","1.061","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211877","9.1071","0.0009","9.3366","0.0008","18.0884","0.0018","81.534","0.006","76.253","0.004","67.954","0.005","1381.9","0.2","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","1","1","","Martin, Lee; Day, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki; Horton, Peter","A molecular charge transfer salt of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","CrystEngComm","2010","12","5","1369","","10.1039/b916136h","","","0.71073","MoKα","","0.1426","0.1096","","","0.2306","0.2538","","","","","","1.109","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7212138","15.4573","0.0008","20.2952","0.001","35.997","0.0017","101.17","0.003","102.112","0.002","98.015","0.002","10639.4","0.9","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C318.5 H634.5 O281.2 -","- C318.5 H634.438 O281.16 -","- C318.5 H634.438 O281.16 -","1","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1347","0.0759","","","0.1922","0.2323","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212168","5.7798","0.0006","8.7059","0.0009","10.3704","0.0011","83.7","0.002","84.555","0.002","76.231","0.002","502.49","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","1","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.0348","0.0341","","","0.0873","0.0879","","","","","","1.036","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212235","9.83","0.002","11.531","0.002","12.209","0.002","105.53","0.03","103.18","0.03","105.74","0.03","1214.1","0.6","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","1","1","","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","","0.0466","0.042","","0.0543","0.0474","0.0469","","","","","","1.0761","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212238","8.2295","0.0016","12.197","0.002","14.914","0.003","95.73","0.03","103.29","0.03","91.14","0.03","1448.2","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H36 Cl Cu N2 Na O10 -","- C26 H36 Cl Cu N2 Na O10 -","- C52 H72 Cl2 Cu2 N4 Na2 O20 -","2","2","","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","","0.0305","0.0294","","","0.0792","0.0801","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212307","9.7496","0.001","10.3079","0.0005","11.9451","0.0006","114.92","0.002","110.933","0.004","91.374","0.003","995.02","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","1","1","","Hazra, Arpan; Kanoo, Prakash; Mohapatra, Sudip; Mostafa, Golam; Maji, Tapas Kumar","A flexible supramolecular host with a crowned chair octameric water cluster and highly selective adsorption properties","CrystEngComm","2010","12","10","2775","","10.1039/b924511a","","","0.71073","MoKα","","0.0708","0.0493","","","0.0935","0.1028","","","","","","1.015","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212340","5.8478","0.0003","9.108","0.0005","11.0349","0.0006","91.713","0.003","93.054","0.003","97.672","0.003","581.24","0.05","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","1","1","","Lv, Yao-Kang; Zhan, Cai-Hong; Feng, Yun-Long","A chiral manganese‒potassium heterometallic MOF with an unusual (3,7)-connected network","CrystEngComm","2010","12","10","3052","","10.1039/b925546j","","","0.71073","MoKα","","0.151","0.0278","","","0.0419","0.0684","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212356","9.2119","0.0018","11.087","0.002","11.866","0.002","85.7","0.03","76.62","0.03","72.83","0.03","1126.4","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H54 Bi Cl7 N4 O5 -","- C40 H54 Bi Cl7 N4 O5 -","- C40 H54 Bi Cl7 N4 O5 -","1","1","","Cai, Hong-Ling; Zhang, Tong; Chen, Li-Zhuang; Xiong, Ren-Gen","The first homochiral compound with temperature-independence of piezoelectric properties","Journal of Materials Chemistry","2010","20","10","1868","","10.1039/b926053f","","","0.71073","MoKα","","0.0319","0.0317","","","0.0696","0.0739","","","","","","0.864","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212498","9.49","0.009","16.85","0.02","31.68","0.03","95.77","0.05","98.07","0.05","99.45","0.05","4908","9","150","","150","","","","","","","","Trichoderma Viride","4","P 1","P 1","1","","","","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","1","1","","Dittrich, Birger; Bond, Charles S.; Kalinowski, Roman; Spackman, M. A.; Jayatilaka, Dylan","Revised electrostatics from invariom refinement of the 18-residue peptaibol antibiotic trichotoxin A50E","CrystEngComm","2010","12","8","2419","","10.1039/c001072c","","","0.6883","","","0.0711","0.046","","","","0.0539","","","","","","3.3171","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212538","4.8746","0.0014","6.4011","0.001","8.98","0.003","74.05","0.02","83.54","0.02","80.468","0.018","265.03","0.13","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0751","0.0657","","0.1656","0.158","0.1656","","","","","","1.0479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212539","4.835","0.003","6.31","0.002","8.895","0.007","74.62","0.04","84.12","0.05","80.67","0.04","257.7","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0789","0.0701","","0.1678","0.1592","0.1678","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212540","4.76","0.002","6.1455","0.0012","8.737","0.004","76.06","0.03","84.56","0.03","81.25","0.02","244.71","0.16","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0631","0.0539","","0.135","0.1278","0.135","","","","","","1.0489","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212541","4.728","0.002","6.0501","0.0014","8.684","0.005","76.54","0.03","84.73","0.04","81.67","0.03","238.6","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.062","0.0564","","0.1735","0.1696","0.1735","","","","","","1.2154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212542","4.693","0.002","5.9013","0.0014","8.599","0.005","77.48","0.03","84.97","0.04","82.35","0.03","229.99","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0703","0.0627","","0.158","0.1512","0.158","","","","","","1.1572","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212543","4.676","0.003","5.8115","0.0017","8.543","0.006","77.95","0.04","85.11","0.05","82.77","0.04","224.8","0.2","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0679","0.0625","","0.1678","0.1635","0.1678","","","","","","1.1345","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212544","4.51","0.0005","5.9287","0.0006","8.503","0.003","76.528","0.016","85.624","0.017","83.203","0.008","219.27","0.09","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0305","0.0288","","0.0693","0.0675","0.0693","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212545","4.4832","0.0004","5.8932","0.0004","8.465","0.002","76.234","0.013","85.836","0.013","83.284","0.006","215.5","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0267","0.0256","","0.0583","0.0578","0.0583","","","","","","1.2151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212546","4.4609","0.0004","5.8592","0.0005","8.427","0.002","75.991","0.015","86.055","0.014","83.349","0.006","212.08","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0255","0.024","","0.0584","0.0579","0.0584","","","","","","1.1898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212555","6.953","0.002","12.209","0.004","13.829","0.004","111.295","0.006","97.98","0.005","102.352","0.006","1037.8","0.5","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H50 Cu2 N4 O25 -","- C32 H26 Cu2 N4 O24.925 -","- C32 H26 Cu2 N4 O24.925 -","1","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","","","0.71073","MoKα","","0.054","0.0509","","","0.1296","0.1319","","","","","","1.056","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212660","5.2023","0.0002","7.7661","0.0004","26.5219","0.0012","89.078","0.003","89.687","0.003","90.024","0.002","1071.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","Mpm","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","4","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.092","0.0592","","","0.1334","0.1538","","","","","","1.05","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212709","5.2357","0.0001","5.4251","0.0001","13.5733","0.0002","87.416","0.001","88.994","0.001","69.431","0.001","360.593","0.011","150","2","150","2","","","","","","","","4","P 1","P 1","1","L-allo-isoleucine:D-leucine","(S,R)-2-amino-3-methylpentanoic acid:R-2-amino-4-methylpentaoic acid","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","1","1","","Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M.","Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.","Physical chemistry chemical physics : PCCP","2010","12","30","8466","8477","10.1039/c004055j","","","0.71073","MoKα","","0.048","0.042","","","0.1033","0.1073","","","","","","1.009","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212711","5.1725","0.0003","5.3955","0.0003","12.3952","0.0007","92.631","0.002","94.747","0.002","113.103","0.002","315.93","0.03","150","2","150","2","","","","","","","","4","P 1","P 1","1","L-aminobutyric acid:D-norleucine","S-2-aminobutanoic acid : R-2-aminohexanoic acid (1:1)","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","1","1","","Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M.","Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.","Physical chemistry chemical physics : PCCP","2010","12","30","8466","8477","10.1039/c004055j","","","0.71073","MoKα","","0.0759","0.0552","","","0.1215","0.1354","","","","","","1.104","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7213011","6.164","0.009","14.114","0.005","14.378","0.005","64.94","0.04","86.34","0.04","80.33","0.04","1117","1.8","180","2","180","2","","","","","","","","3","P 1","P 1","1","","","","- C52 H56 O10 -","- C52 H56 O10 -","- C52 H56 O10 -","1","1","","Painter, Gavin F.; Grove, Simon J. A.; Gilbert, Ian H.; Holmes, Andrew B.; Raithby, Paul R.; Hill, Malcolm L.; Hawkins, Phillip T.; Stephens, Leonard R.","General synthesis of 3-phosphorylated myo-inositol phospholipids and derivatives","Journal of the Chemical Society, Perkin Transactions 1","1999","","8","923","","10.1039/a900278b","","","0.71073","MoKα","","0.0736","0.0553","","","0.1078","0.1163","","","","","","1.012","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213021","10.2919","0.0008","12.0062","0.0009","14.139","0.001","88.543","0.001","76.608","0.001","77.637","0.001","1659.7","0.2","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 Mn N3 O2 -","- C38 H42 Mn N3 O2 -","- C76 H84 Mn2 N6 O4 -","2","2","","Svenstrup, Niels; Bøgevig, Anders; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective α-amination of ketones mediated by chiral nitridomanganese(V) complexes using ammonia as the terminal nitrogen source","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1559","","10.1039/a900358d","","","0.71073","MoKα","","","0.052","","","0.057","","","","","2.79","2.79","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213022","9.9795","0.0004","13.4234","0.0006","14.6685","0.0006","63.144","0.001","78.596","0.001","71.541","0.001","1659.37","0.12","122","2","122","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Mn N3 O2 -","- C36 H52 Mn N3 O2 -","- C72 H104 Mn2 N6 O4 -","2","2","","Svenstrup, Niels; Bøgevig, Anders; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective α-amination of ketones mediated by chiral nitridomanganese(V) complexes using ammonia as the terminal nitrogen source","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1559","","10.1039/a900358d","","","0.71073","MoKα","","0.0681","0.0523","","","0.1191","0.1325","","","","","","1.101","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213055","7.2499","0.0008","8.1244","0.0009","8.6529","0.0009","73.472","0.002","80.085","0.002","85.077","0.002","480.94","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- H12 N2 O10 P2 V -","- N2 O10 P2 V -","- N4 O20 P4 V2 -","2","2","","Liu, Lumei; Wang, Xiqu; Bontchev, Ranko; Ross, Kent; Jacobson, Allan J.","Influence of reaction conditions on the electrochemical-hydrothermal synthesis of two ammonium vanadium phosphates: (NH4)2VO(HPO4)2·H2O and (NH4)2VO(V0.88P1.12O7)","Journal of Materials Chemistry","1999","9","7","1585","","10.1039/a901956a","","","0.71073","MoKα","","0.1001","0.0797","","0.2045","0.1937","","","","0.995","1.096","1.096","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213174","5.367","0.001","8.821","0.004","9.893","0.003","106.65","0.02","101.84","0.02","105.13","0.02","412.8","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","N-phenyl-2-(S)-fluoropropionamide with ca. 10% of N-phenyl-2-(R)-fluoropropionamide","","- C9 H10 F N O -","- C9 H10 F N O -","- C18 H20 F2 N2 O2 -","2","2","","Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles","The preferred conformation of α-fluoroamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2409","","10.1039/a907452j","","","1.54184","CuKα","","0.0492","0.0431","","0.1536","0.1122","","","","1.092","1.098","1.098","","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213177","8.033","0.006","8.268","0.007","18.029","0.017","100.01","0.06","94.67","0.05","116.89","0.07","1034.1","1.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","2,6,9,13-tetraazabicyclo[12.4.0]octadecane-2,9-diium diperchlorate","","- C14 H32 Cl2 N4 O8 -","- C14 H32 Cl2 N4 O8 -","- C28 H64 Cl4 N8 O16 -","2","2","","Alfonso, Ignacio; Astorga, Covadonga; Rebolledo, Francisca; Gotor, Vicente; García-Granda, Santiago; Tesouro, Ana","Structural studies of two protonated forms of a C2 symmetrical optically active cyclam derivative","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","899","","10.1039/a904998c","","","0.71073","MoKα","","0.2101","0.058","","","0.1207","0.1653","","","","","","0.986","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213186","18.01","0.06","15.53","0.06","15.37","0.06","103.35","0.06","113.22","0.06","99.46","0.06","3684","2","298","2","298","2","","","","","","","","3","P 1","P 1","1","beta-CD/7OH-4ME-coumarin","","","- C104 H200 O98 -","- C104 H112 O98 -","- C104 H112 O98 -","1","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1105","","10.1039/a906042a","","","0.71073","MoKα","","0.078","0.0741","","","0.1954","0.2003","","","","","","1.09","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213187","18.133","0.004","15.479","0.003","15.401","0.003","102.9","0.03","113.35","0.03","99.53","0.03","3709.4","1.9","298","2","298","2","","","","","","","","3","P 1","P 1","1","beta-CD/7OH-4ME-coumarin photolyzed","","","- C104 H200 O98 -","- C104 H112 O98.5 -","- C104 H112 O98.5 -","1","1","","Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J.","Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1105","","10.1039/a906042a","","","0.71073","MoKα","","0.0785","0.0718","","","0.1901","0.1985","","","","","","1.078","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213440","8.3738","0.0017","8.5966","0.0017","10.291","0.002","67.4","0.03","75.08","0.03","67.33","0.03","625.9","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","rosnecatrol tetraacetate","","","- C23 H30 O9 -","- C23 H30 O9 -","- C23 H30 O9 -","1","1","","Edwards, Raymond L.; Maitland, Derek J.; Scowen, Ian J.; De Sousa, Antonio J. T.; Whalley, Anthony J. S.","Metabolites of the higher fungi. Part 32. Rosnecatrone, a phytotoxic bicyclo[4.1.0]hept-3-en-2-one from the fungus Rosellinia necatrix Prill","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","537","","10.1039/b008195g","","","1.54178","CuKα","","0.0372","0.0347","","","0.0911","0.0979","","","","","","1.106","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213449","9.7011","0.0005","11.704","0.0008","14.5936","0.001","96.862","0.008","100.249","0.007","100.163","0.007","1585.37","0.19","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H48 N2 Si -","- C36 H48 N2 Si -","- C72 H96 N4 Si2 -","2","2","","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","","0.1156","0.0486","","","0.0874","0.1025","","","","","","0.792","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213509","8.281","0.002","9.539","0.003","10.417","0.003","99.18","0.05","96.34","0.04","109.03","0.05","756.2","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","Ac-L-(αMe)Hyv-(Aib)4-OMe","","","- C25 H44 N4 O8 -","- C25 H44 N4 O8 -","- C25 H44 N4 O8 -","1","1","","Peggion, Cristina; Barazza, Alessandra; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Villa, Marzia; Tomasini, Claudia; Mayrhofer, Herbert; Pöchlauer, Peter; Kaptein, Bernard; Broxterman, Quirinus B.","(αMe)Hyv: chemo-enzymatic synthesis, and preparation and preferred conformation of model depsipeptidesElectronic supplementary information (ESI) available: analytical data. See http://www.rsc.org/suppdata/p2/b1/b107691b/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","644","","10.1039/b107691b","","","1.54178","CuKα","","0.1029","0.0807","","","0.2074","0.2265","","","","","","0.985","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213605","7.5719","0.0004","7.8718","0.0004","9.8803","0.0006","104.448","0.005","108.242","0.005","96.225","0.004","530.37","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","1","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.7107","MoKα","","0.0285","0.0274","","","0.0678","0.0687","","","","","","1.032","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213734","11.2148","0.0002","17.3605","0.0002","26.9709","0.0005","84.067","0.001","85.012","0.002","71.92","0.002","4956.7","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H142 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","1","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","0.71073","MoKα","","0.0534","0.0475","","","0.1328","0.1382","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213878","8.723","0.009","9.227","0.009","12.62","0.01","74.26","0.01","69.8","0.01","89.74","0.01","913","1.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C34 H44 Cl4 N4 O2 Ru2 -","2","2","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.1761","0.1265","","","0.3327","0.3864","","","","","","1.5","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7214387","6.9166","0.0001","8.1526","0.0005","19.4288","0.0011","83.25","0.005","84.511","0.003","71.107","0.003","1027.41","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0588","0.0418","","","0.0941","0.1021","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214388","6.9129","0.0005","8.1497","0.0003","19.4274","0.0009","83.261","0.005","84.544","0.005","71.107","0.004","1026.48","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0468","0.0376","","","0.0912","0.0962","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214390","6.8834","0.0005","8.2494","0.0004","19.4622","0.0013","84.137","0.006","84.642","0.006","71.382","0.005","1039.66","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0502","0.039","","","0.0894","0.0948","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214391","6.8792","0.0002","8.2487","0.0004","19.453","0.0012","84.123","0.004","84.581","0.005","71.299","0.003","1037.85","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0378","0.0332","","","0.0851","0.088","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214394","7.3179","0.0005","7.7876","0.0007","26.499","0.002","85.239","0.003","84.402","0.003","68.304","0.004","1394.67","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","S,S,S,S-TMET.TCNQ (from 1,1,2-trichloroethane)","","- C26 H20 N4 S8 -","- C26 H20 N4 S8 -","- C52 H40 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0541","0.0494","","","0.125","0.1287","","","","","","1.063","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214395","7.318","0.0001","7.8325","0.0001","28.2325","0.0006","94.287","0.001","95.535","0.001","110.993","0.001","1493.34","0.04","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S-TMET.TCNQ.0.5THF","","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0493","0.0403","","","0.0834","0.0882","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214396","8.4889","0.0002","13.7156","0.0002","14.0914","0.0003","110.844","0.001","100.807","0.001","107.048","0.001","1385.53","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S -Tetramethyl-BEDT-TTF.TCNQ-F4 complex","","- C26 H16 F4 N4 S8 -","- C26 H16 F4 N4 S8 -","- C52 H32 F8 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0429","0.0367","","","0.0823","0.087","","","","","","1.02","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214475","7.5481","0.0006","10.8878","0.001","19.046","0.0018","79.948","0.008","79.57","0.008","73.077","0.008","1460.3","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","1","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","","0.074","0.0617","","","0.1591","0.168","","","","","","1.049","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214615","21.701","0.004","23.071","0.005","23.286","0.005","63.91","0.03","68.86","0.03","64.94","0.03","9264","4","258","2","258","2","","","","","","","","5","P 1","P 1","1","","","","- C296 H374 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","1","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","1.54178","CuKα","","0.0598","0.0542","","","0.1388","0.1439","","","","","","1","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214764","6.1165","0.0008","7.466","0.0012","12.9602","0.0017","86.758","0.005","76.883","0.004","70.706","0.005","543.91","0.13","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C20 H26 N2 O12 -","2","2","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0532","","","","0.146","","","","","","1.119","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214765","8.0038","0.0006","11.0971","0.0008","13.0242","0.0013","101.247","0.003","95.778","0.004","101.541","0.003","1099.83","0.16","250","","250","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0484","","","","0.2106","","","","","","1.028","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214766","8.0322","0.0006","11.0953","0.0008","13.0247","0.0009","100.127","0.0017","96.793","0.002","101.35","0.0018","1106.18","0.14","300","","300","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0492","","","","0.2223","","","","","","1.057","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214910","14.2583","0.0007","15.0998","0.0004","25.1467","0.0012","90.052","0.003","90.186","0.002","116.19","0.003","4858.2","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H228 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","1","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0684","0.0607","","","0.1545","0.1607","","","","","","1.027","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215465","13.262","0.003","13.508","0.002","24.549","0.004","76.154","0.008","86.364","0.009","63.763","0.008","3825.5","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H56 Cl3 N3 O4 -","- C37 H56 Cl3 N3 O4 -","- C148 H224 Cl12 N12 O16 -","4","4","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","","0.71073","MoKα","","0.0975","0.0628","","","0.1517","0.1753","","","","","","0.975","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215466","12.9772","0.0003","14.3714","0.0002","22.68","0.0006","73.075","0.001","79.981","0.001","69.56","0.001","3779.49","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","1","1","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","x-ray","0.71073","MoKα","","0.0824","0.061","","","0.13","0.1427","","","","","","1.03","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215693","9.984","0.002","17.199","0.003","19.058","0.004","67.254","0.008","86.503","0.012","77.145","0.011","2941.2","1","100","2","100","2","","","","","","","see text","5","P 1","P 1","1","","","","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","1","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","","0.0544","0.0458","","","0.1102","0.1161","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215695","9.135","0.002","12.008","0.003","16.533","0.005","79.91","0.013","78.135","0.014","73.833","0.013","1691.1","0.8","100","","100","2","","","","","","","see text","5","P 1","P 1","1","Levofloxacin 3,5-dinitrobenzoate 1:2","","","- C32 H28 F N7 O16 -","- C32 H28 F N7 O16 -","- C64 H56 F2 N14 O32 -","2","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","","0.0438","0.0353","","","0.0824","0.0888","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215866","12.4067","0.0009","12.7587","0.001","12.7752","0.001","119.538","0.001","118.76","0.0009","90.313","0.001","1462.2","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","1","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0833","0.0604","","","0.1291","0.1893","","","","","","1.166","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215882","6.692","0.001","8.886","0.001","10.412","0.001","105.22","0.01","99.04","0.01","107.5","0.01","550.72","0.13","100","2","100","2","","","","","","","Polymorph Screening","6","P 1","P 1","1","lamivudine zalcitabine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride 2',3'-dideoxycytidine hydrochloride co-crystal","","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","1","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0792","0.0656","","","0.1453","0.1558","","","","","","1.099","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215968","8.5561","0.0017","8.656","0.0018","24.424","0.005","93.654","0.003","95.997","0.003","91.067","0.004","1794.7","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C74 H88 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","1","1","","Ahmad, Musheer; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","A novel 3D 10-fold interpenetrated homochiral coordination polymer: large spontaneous polarization, dielectric loss and emission studies","CrystEngComm","2014","16","22","4766","","10.1039/c3ce42628a","","","0.71073","MoKα","","0.0762","0.0614","","","0.1382","0.1495","","","","","","1.024","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216171","9.3854","0.0005","14.0773","0.0006","14.0972","0.0006","65.54","0.002","70.737","0.002","79.985","0.002","1598.95","0.13","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","1","1","","Harrowfield, Jack M.; Hirsch, Anna Katharina Herta; sirlin, claude; Lehn, Jean-Marie","A Doubly Hermaphroditic Chiral Crown Ether","CrystEngComm","2014","","","","","10.1039/c4ce00879k","","","0.71073","MoKα","","0.1041","0.072","","","0.168","0.1977","","","","","","1.08","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216195","5.688","0.002","7.57","0.002","21.55","0.004","85.59","0.02","84.57","0.03","79.43","0.02","906.4","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H18 Cl Cu N3 O4 -","- C18 H18 Cl Cu N3 O4 -","- C36 H36 Cl2 Cu2 N6 O8 -","2","2","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.0161","0.0147","","","0.0374","0.0383","","","","","","1.085","","","","has coordinates","275109","2022-05-06","15:20:06",""
"7216239","12.2222","0.0005","12.6202","0.0003","12.6332","0.0003","103.712","0.001","109.206","0.001","108.164","0.001","1618.41","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H80 Ca2 Cl4 N12 O34 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","1","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.044","0.0409","","","0.1178","0.1215","","","","","","1.037","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216614","8.597","0.001","10.12","0.001","13.311","0.001","92.15","0.01","101.98","0.01","114.11","0.01","1024.3","0.2","295","2","","","","","","","","","Novum /recryst. from DMF","5","P 1","P 1","1","","","","- C19 H17 N3 O S4 -","- C19 H17 N3 O S4 -","- C38 H34 N6 O2 S8 -","2","2","","Janosik, Tomasz; Bergman, Jan; Stensland, Birgitta; Stålhandske, Claes","Thionation of bisindole derivatives with P4S10 or elemental sulfur","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","330","","10.1039/b109840c","","","0.71073","MoKα","","0.087","0.039","","0.055","0.054","0.054","","","0.999","1.015","1.015","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216783","5.5171","0.0015","8.125","0.002","10.508","0.003","99.439","0.003","104.41","0.004","94.54","0.003","446.5","0.2","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C20 H19 N O4 S -","1","1","","Zhao, Bo-Liang; Du, Da-Ming","Catalytic asymmetric conjugate addition of various α-mercaptoketones to α,β-unsaturated N-acylated oxazolidin-2-ones with bifunctional organocatalyst","RSC Advances","2014","4","52","27346","","10.1039/c4ra02400a","","","0.71073","MoKα","","0.0307","0.0288","","","0.0624","0.063","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217126","8.9158","0.0003","11.144","0.0004","14.0968","0.0006","83.256","0.002","72.321","0.002","84.057","0.002","1321.83","0.09","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","1","1","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.05","0.0394","","","0.0972","0.1018","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217223","6.9477","0.0014","7.1623","0.0014","10.509","0.002","78.17","0.03","73.89","0.03","62.48","0.03","443.7","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","1","1","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0429","0.0364","","","0.1037","0.111","","","","","","1.07","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217451","6.3103","0.0002","10.254","0.0003","10.7089","0.0003","83.053","0.001","77.266","0.002","80.846","0.001","664.62","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0319","0.0316","","","0.093","0.0934","","","","","","1.11","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217453","6.3568","0.0004","10.4138","0.0007","10.7105","0.0007","82.302","0.004","75.969","0.003","82.058","0.003","677.53","0.08","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C31.23 H27.68 Br2.74 N4 -","- C31.226 H27.678 Br2.736 N4 -","- C31.226 H27.678 Br2.736 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0434","0.0376","","","0.0934","0.096","","","","","","1.027","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217822","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Senthil, K.; SIVAPERUMAN, KALAINATHAN; Kumar, A. Ruban","Effect of additives on the large size growth of 4-N, N-dimethylamino-4-N-methyl stilbazolium naphthalene-2-sulfonate (DSNS) single crystal:An efficient stilbazolium derivative NLO crystal with potential Terahertz Wave properties","CrystEngComm","2014","","","","","10.1039/C4CE01350F","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217867","9.139","0.0011","9.306","0.001","9.7714","0.0012","85.131","0.01","65.297","0.013","71.185","0.011","713.44","0.17","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 N4 O7 -","- C12 H16 N4 O7 -","- C24 H32 N8 O14 -","2","2","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0609","0.058","","","0.1558","0.1595","","","","","","1.059","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217887","5.3623","","5.3623","","5.3623","","90","","90","","90","","154.189","","","","","","","","","","","","","2","P 1","P 1","1","","Cerium(IV)oxide","","- Ce O2 -","- Ce O2 -","- Ce4 O8 -","4","4","","Vanpoucke, Danny E. P.; Bultinck, Patrick; Cottenier, Stefaan; Van Speybroeck, Veronique; Van Driessche, Isabel","Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects","Journal of Materials Chemistry A","2014","2","33","13723","","10.1039/C4TA02449D","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218088","9.0885","0.0019","10.008","0.002","10.316","0.002","84.68","0.003","83.399","0.003","66.85","0.003","855.9","0.3","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0923","0.0841","","","0.1743","0.1811","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218090","9.1852","0.0015","10.2742","0.0017","10.3527","0.0017","84.69","0.002","83.518","0.002","65.526","0.002","882.4","0.3","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0864","0.0748","","","0.1597","0.1666","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218172","5.0392","0.0002","5.4022","0.0002","7.5864","0.0003","99.295","0.003","102.547","0.002","102.956","0.003","191.601","0.014","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C7 H10 O5 -","1","1","","Thiyagarajan, Shanmugam; Wu, Jing; Knoop, Rutger J.; Haveren, Jacco van; Lutz, Martin; ES, Daan van","Isohexide hydroxy esters: synthesis and application of a new class of biobased AB-type building blocks","RSC Adv.","2014","","","","","10.1039/C4RA07896A","","","0.71073","MoKα","","0.025","0.0247","","","0.0642","0.0646","","","","","","1.07","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218261","4.9125","0.0002","9.3729","0.0004","12.3508","0.0005","110.316","0.002","90.313","0.002","100.233","0.001","523.43","0.04","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","1","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0325","0.032","","","0.0869","0.0877","","","","","","1.062","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218572","7.9109","0.0005","7.9252","0.0005","14.3797","0.001","88.257","0.004","83.081","0.004","74.025","0.003","860.41","0.1","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H20 N2 O6 Sn -","- C14 H20 N2 O6 Sn -","- C28 H40 N4 O12 Sn2 -","2","2","","Sirajuddin, Muhammad -; Ali, Saqib; McKee, Vickie; Zaib, Sumera; Iqbal, Jamshed","Organotin(IV) carboxylate derivatives as a new addition to anticancer and antileishmanial agents: Design, physicochemical characterization and interaction with Salmon sperm DNA","RSC Adv.","2014","","","","","10.1039/C4RA10487K","","","0.71073","MoKα","","0.06","0.0389","","","0.0583","0.0637","","","","","","0.943","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218822","18.7432","0.0005","9.9123","0.0003","19.341","0.0006","90","","93.296","0.003","90","","3587.39","0.18","100","10","100","10","","","","","","","","4","P 1","P 1","1","","","","- C82 H95 N4 O14 -","- C41 H47.5 N2 O7 -","- C82 H95 N4 O14 -","2","2","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54184","CuKα","","0.0498","0.0433","","","0.1105","0.1171","","","","","","1.033","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218861","5.9472","0.0007","8.8261","0.0011","12.2179","0.0015","87.74","0.004","87.485","0.004","77.734","0.004","625.78","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","ak_685","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","1","1","","Kayet, Anirban; Datta, Dhrubajyoti; Kumar, Ganesh; Ghosh, Anindya Sundar; Pathak, Tanmaya","Templating effect of 1,5-disubstituted 1,2,3-triazole-linked disaccharides on size, shape and antibacterial activity of silver nanoparticles","RSC Adv.","2014","4","108","63036","","10.1039/C4RA11769G","","","0.71073","MoKα","","0.1251","0.0549","","","0.1002","0.1275","","","","","","0.937","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218911","15.281","0.003","15.431","0.003","17.911","0.004","99.573","0.009","113.073","0.009","102.518","0.01","3641.8","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate","","- C106 H202 N2 O94 -","- C106 H158 N2 O94.0001 -","- C106 H158 N2 O94.0001 -","1","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","","0.1808","0.1384","","","0.3494","0.3831","","","","","","1.405","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218944","12.0316","0.0008","13.971","0.001","15.7586","0.0011","73.219","0.001","80.012","0.004","74.696","0.002","2432.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C90 H94 Cu2 N10 O28 -","- C90 H94 Cu2 N10 O28 -","- C90 H94 Cu2 N10 O28 -","1","1","","Kaur, Gagandeep; Abramovich, Lihi A.; Gazit, Ehud; Verma, Sandeep","Ultrastructure of metallopeptide-based soft spherical morphologies","RSC Adv.","2014","4","110","64457","","10.1039/C4RA10532J","","","0.71073","MoKα","","0.122","0.0767","","","0.1859","0.2129","","","","","","1.043","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219125","6.894","0.0011","7.6323","0.0012","9.9174","0.0015","79.286","0.002","71.221","0.002","81.683","0.002","483.41","0.13","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","1","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0526","0.0484","","","0.1074","0.1098","","","","","","1.17","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219517","3.6779","0.0001","6.9371","0.0001","7.0372","0.0002","61.6975","0.0014","80.0002","0.0012","89.5122","0.0012","155.117","0.007","90","0.2","90","0.2","","","","","","","","5","P 1","P 1","1","","","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","1","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0165","0.0164","","","0.0461","0.0461","","","","","","1.099","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219540","5.7097","0.0013","3.2187","0.0008","10.017","0.007","90","","90","","90","","184.09","0.14","298","","298","","","","","","","","see text","5","P 1","P 1","1","","","Et2NH2","- C1.28 H3.84 Mo2 N0.32 S4 -","- C1.28 H3.84 Mo2 N0.32 S4 -","- C1.28 H3.84 Mo2 N0.32 S4 -","1","1","","Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.","Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations","RSC Adv.","2015","","","","","10.1039/C4RA15662E","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0194","3.909","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219541","5.6924","0.0005","3.2077","0.0003","11.084","0.003","90","","90","","90","","202.39","0.06","298","","298","","","","","","","","see text","5","P 1","P 1","1","","","","- C2.56 H6.4 Mo2 N0.32 S4 -","- C2.56 H6.4 Mo2 N0.32 S4 -","- C2.56 H6.4 Mo2 N0.32 S4 -","1","1","","Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.","Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations","RSC Adv.","2015","","","","","10.1039/C4RA15662E","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.01029","2.254","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219542","5.6922","0.0005","3.2125","0.0003","11.046","0.005","90","","90","","90","","201.99","0.1","298","","298","","","","","","","","see text","5","P 1","P 1","1","","c","","- C2 H6 Mo2 N0.5 S4 -","- C2 H6 Mo2 N0.5 S4 -","- C2 H6 Mo2 N0.5 S4 -","1","1","","Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.","Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations","RSC Adv.","2015","","","","","10.1039/C4RA15662E","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.01733","2.53","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219555","8.8372","0.0002","9.5138","0.0002","18.1928","0.0004","81.938","0.001","77.483","0.001","68.091","0.001","1382.39","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","1","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.0372","0.0317","","","0.0673","0.0698","","","","","","1.023","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219556","5.3536","0.0005","10.1811","0.0009","17.2836","0.0015","95.641","0.004","97.596","0.005","90.246","0.006","929.12","0.14","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H10.33 Cr0.33 N0.33 Na0.33 O4.33 S8 -","- C12.9997 H10.3331 Cr0.3333 N0.3333 Na0.3333 O4.3329 S8 -","- C25.9994 H20.6662 Cr0.6666 N0.6666 Na0.6666 O8.6658 S16 -","2","2","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.2085","0.1145","","","0.2357","0.2806","","","","","","1.587","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219609","6.4876","0.001","12.225","0.002","13.363","0.002","91.909","0.013","98.916","0.013","92.458","0.013","1045.2","0.3","298","","298","","","","","","","","","6","P 1","P 1","1","","","","- C36 H41 Cu N8 O16 P2 -","- C36 H43 Cu N8 O16 P2 -","- C36 H43 Cu N8 O16 P2 -","1","1","","Shahul Hameed, Sabiah; Popuri, Sureshbabu; Tjakraatmadja, A.A.J Sudarga; Elavarasan, K.; Chittepu, Hanmandlu; Kulak, Nora","Mononuclear Zn(II) and Cu(II) Complexes with a Simple Diamine Ligand: Synthesis, Structure, Phosphodiester Binding and DNA Cleavage Studies","RSC Adv.","2015","","","","","10.1039/C4RA15717F","","","0.71073","MoKα","","0.0832","0.0626","","","0.1541","0.1758","","","","","","1.025","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219900","7.8955","0.0008","7.9685","0.001","12.611","0.002","84.587","0.014","88.678","0.014","76.076","0.01","766.68","0.18","200","1","200","1","","","","","","","","5","P 1","P 1","1","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","4","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.0574","0.0361","","","0.1054","0.1131","","","","","","1.013","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219945","8.0439","0.0007","9.9065","0.0009","12.9817","0.0012","89.535","0.003","90.022","0.003","89.979","0.003","1034.44","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H29 N O6 S -","- C20 H29 N O6 S -","- C40 H58 N2 O12 S2 -","2","2","","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","","0.1754","0.07","","","0.1299","0.177","","","","","","1.01","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220144","6.0159","0.0011","9.3867","0.0017","9.5866","0.0017","106.872","0.016","107.869","0.016","103.345","0.015","461.65","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C20 H20 N P Se -","1","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0547","0.0544","","","0.1402","0.1417","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220145","6.0127","0.0012","9.368","0.003","9.581","0.003","106.91","0.03","107.98","0.02","103.26","0.02","459.9","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C20 H20 N P Se -","1","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0552","0.0542","","","0.161","0.1657","","","","","","1.015","","","","has coordinates","135732","2020-10-21","18:00:00",""
"7220372","6.5774","0.0013","10.92","0.002","13.999","0.003","84.03","0.03","81.51","0.03","77.91","0.03","969.6","0.4","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H62 O4 -","- C44 H62 O4 -","- C44 H62 O4 -","1","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0823","0.0863","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220405","7.1767","0.0005","12.5519","0.0009","14.7649","0.001","100.486","0.0011","93.4647","0.0011","106.358","0.0011","1246.06","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","4","","","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","1","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","","0.0645","0.0538","","","0.1277","0.1367","","","","","","1.082","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220406","9.503","0.0006","13.741","0.0009","19.6128","0.0013","71.2181","0.0011","83.8466","0.0012","71.8161","0.0011","2303.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","6","","","- C18 H28 Cr N5 O8 -","- C18 H28 Cr N5 O8 -","- C72 H112 Cr4 N20 O32 -","4","4","","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","","0.0645","0.0512","","","0.1044","0.1144","","","","","","1","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220735","6.9472","","8.1805","","12.1722","","91.1412","","103.873","","104.55","","647.678","","","","298","","","","","","","","","5","P 1","P 1","1","DUT-8(Ni) close phase","","","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","1","1","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","CukΑ","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220737","9.4778","","11.0657","","12.6936","","101.544","","92.0654","","100.59","","1278.46","","","","185","","","","","","","","","5","P 1","P 1","1","DUT-8(Ni) ip1","","","- C48 H78 N2 Ni2 O8 -","- C48 H78 N2 Ni2 O8 -","- C48 H78 N2 Ni2 O8 -","1","1","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220784","7.3986","0.0004","10.6152","0.0006","24.7372","0.0014","89.262","0.005","85.726","0.005","79.991","0.005","1907.91","0.19","143","0.1","143","0.1","","","","","","","","4","P 1","P 1","1","","[C1mim]NAT","","- C5 H10 N9 O2 -","- C5 H10 N9 O2 -","- C40 H80 N72 O16 -","8","8","","Gao, Yi-Fei; Zhang, Lei; He, Ling; Zhao, Ying; Tang, Ning; Yuan, Wen-Li; Tao, Guo-Hong","Insensitive Energetic 5-Nitroaminotetrazolate Ionic Liquids","RSC Adv.","2015","","","","","10.1039/C5RA07415K","","","0.7107","MoKα","","0.0817","0.044","","","0.1207","0.152","","","","","","1.01","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7221050","7.6279","0.0009","10.6208","0.0013","20.927","0.003","76.939","0.006","80.725","0.006","72.021","0.006","1563.2","0.4","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H37 Fe N5 O5 -","- C33 H37 Fe N5 O5 -","- C66 H74 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.1025","0.0883","","","0.204","0.2142","","","","","","1.124","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221051","7.5843","0.0006","10.6128","0.001","21.007","0.002","76.045","0.003","80.991","0.002","71.463","0.002","1549.9","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Fe N5 O5 -","- C33 H39 Fe N5 O5 -","- C66 H78 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.085","0.0649","","","0.1448","0.1583","","","","","","1.028","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221079","7.0613","","7.2086","","5.5343","","113.328","","84.479","","112.249","","238.94","","","","","","","","","","","","","4","P 1","P 1","1","","Na Bi3 V2 O10","","- Bi3 Na O10 V2 -","- Bi3 Na O10 V2 -","- Bi3 Na O10 V2 -","1","1","","Sinclair, D.C.; Skakle, J.M.S.; Marinou, E.","The crystal structure of a new oxide ion conductor Na Bi3 V2 O10 and oxide ion conductivity in Pb2 Bi2 V2 O10","Journal of Materials Chemistry","1999","9","","2617","2621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221223","8.278","","8.281","","4.057","","90.09","","90.17","","89.88","","278.106","","","","","","","","","","","","","3","P 1","P 1","1","","Re N Cl4","","- Cl4 N Re -","- Cl2 N0.5 Re0.5 -","- Cl4 N Re -","2","2","","Liese, W.; Walker, I.; Dehnicke, K.; Straehle, J.","Darstellung, Eigenschaften und Kristallstruktur von Rhenium(VII)-nitridchlorid, Re N Cl4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","693","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221506","5.926","","6.513","","7.302","","89.09","","89.43","","88.968","","281.734","","","","","","","","","","","","","4","P 1","P 1","1","","Li3 (V O4) (H2 O)8","","- H16 Li3 O12 V -","- Li3 O12 V -","- Li3 O12 V -","1","1","","Schnabel, S.; Roehr, C.","Hydrates of Li3 V O4: synthesis and structural chemistry","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221840","9.4562","0.0016","9.5572","0.0014","53.944","0.009","89.206","0.005","87.608","0.003","60.661","0.005","4246","1.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide 11.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C156 H132 I18 N12 S24 -","6","6","","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","","0.1848","0.0846","","","0.1534","0.1872","","","","","","1.044","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221938","7.9602","0.0007","8.6689","0.0007","11.7774","0.0011","94.238","0.005","97.302","0.006","96.834","0.005","797.12","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","(S)-5-ethyl 2-methyl 1, 2, 3, 6 -tetrahydroazepino[4,5-b]indole-2,5-dicarboxylate","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","2","","Barve, Indrajeet J.; Dalvi, Prashant B.; Thikekar, Tushar Ulhas; Chanda, Kaushik; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Design, synthesis and diversification of natural product-inspired hydantoin-fused tetrahydroazepino indoles","RSC Adv.","2015","5","89","73169","","10.1039/C5RA12063B","","","1.54178","CuKα","","0.0779","0.0744","","","0.1953","0.2031","","","","","","1.096","","","","has coordinates","153788","2020-10-21","18:00:00",""
"7222375","7.6342","0.0005","9.4462","0.0006","12.1984","0.0007","80.301","0.003","73.647","0.003","71.635","0.003","798.02","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H10 I N5 O2 -","- C15 H10 I N5 O2 -","- C30 H20 I2 N10 O4 -","2","2","","Pramanik, Animesh; Bodhak, Chandan; Kundu, Ashis","ZrO2 nanoparticles as a reusable solid dual acid-base catalyst for facile one-pot synthesis of multi-functionalized spirooxindole derivatives under solvent free condition","RSC Adv.","2015","","","","","10.1039/C5RA16259A","","","0.71073","MoKα","","0.0592","0.0483","","","0.1306","0.1441","","","","","","0.931","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223081","8.1696","0.0008","11.5686","0.0009","13.0762","0.0008","89.962","0.004","89.807","0.002","87.127","0.004","1234.28","0.17","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C27 H40 O7 -","- C27 H38 O7 -","- C54 H76 O14 -","2","2","","Peng, xingrong; Wang, Xia; Zhou, lin; Hou, Bo; Zuo, Zhi-Li; Qiu, Minghua","Ganocochlearic Acid A, A Rearranged Hexanorlanostane Triterpenoid, and Cytotoxic Triterpenoids from the Fruiting Bodies of Ganoderma cochlear","RSC Adv.","2015","","","","","10.1039/C5RA16796E","","","1.54178","CuKα","","0.0736","0.0697","","","0.1913","0.1976","","","","","","1.087","","","","has coordinates","169863","2020-10-21","18:00:00",""
"7223144","10.963","0.002","10.998","0.002","18.653","0.004","92","0.03","106.7","0.03","92.49","0.03","2149.5","0.8","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C72 H70 Cl4 Dy2 N14 O28 -","- C72 H70 Cl4 Dy2 N14 O28 -","- C72 H70 Cl4 Dy2 N14 O28 -","1","1","","Zou, Xiaoyan; Yan, Pengfei; Dong, Yanping; Luan, Fang; Li, Guangming","Magnetic dynamics of two salen type Dy2 complexes modulated by coordination geometry","RSC Adv.","2015","","","","","10.1039/C5RA18244A","","","0.71073","MoKα","","0.0513","0.0403","","","0.0966","0.1023","","","","","","1.068","","","","has coordinates","170006","2020-10-21","18:00:00",""
"7223196","7.7738","0.0003","9.484","0.0003","11.9243","0.0005","78.102","0.003","78.574","0.004","86.183","0.003","842.9","0.06","293.15","","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","1","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1243","0.1257","","","","","","1.065","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223287","4.6457","0.0005","5.0544","0.0005","11.8597","0.0013","100.967","0.004","92.076","0.004","92.987","0.004","272.72","0.05","105","2","105","2","","","","","","","","5","P 1","P 1","1","","N-(2,3-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C13 H7 F4 N O -","1","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0288","0.0277","","","0.0746","0.0756","","","","","","1.059","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223502","5.7508","0.0011","10.2102","0.0019","10.3282","0.0019","60.929","0.002","80.487","0.003","76.75","0.003","514.89","0.17","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3,3,9,9-tetramethyl-6-phenyl-3,4,8,9,10,12-hexahydro-1H-6,12-methanodibenzo[d,g][1,3]dioxocine-1,11(2H)-dione","","- C25 H28 O4 -","- C25 H28 O4 -","- C25 H28 O4 -","1","1","","Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes","RSC Adv.","2015","5","129","106860","","10.1039/C5RA23706H","","","0.71073","MoKα","","0.0406","0.0392","","","0.1066","0.1081","","","","","","1.032","","","","has coordinates","171578","2020-10-21","18:00:00",""
"7223857","8.3207","0.0002","12.7611","0.0003","15.3831","0.0005","65.525","0.003","79.918","0.002","90.001","0.002","1458.86","0.08","290","2","290","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H48 O3 -","- C29 H48 O3 -","- C58 H96 O6 -","2","2","","Huang, Shan-shan; Jian, Kai-Li; Li, Rui-Jun; Kong, Ling-Yi; Yang, Ming-Hua","Phytosteroids and triterpenoids with potent cytotoxicities from the leaves of Chisocheton cumingianus","RSC Adv.","2016","","","","","10.1039/C5RA23626F","","","1.54184","CuKα","","0.0526","0.0501","","","0.1558","0.1612","","","","","","1.059","","","","has coordinates","174386","2020-10-21","18:00:00",""
"7223913","12.6465","","7.9602","","5.3536","","58.9404","","92.1712","","99.689","","454.322","","498.15","","498.15","","","","","","","","Flavonoids, plants and fruits","4","P 1","P 1","1","QUER-PICO","Querecetin Picolinic acid cocrystal","","- C21 H15 N O9 -","- C21 H15 N O9 -","- C21 H15 N O9 -","1","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuKα","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7224237","5.927","0.005","8.342","0.005","13.899","0.005","79.829","0.005","84.029","0.005","77.411","0.005","658.6","0.7","110","0.1","110","0.1","","","","","","","see text","4","P 1","P 1","1","","221 GASM THF solvate","","- C13 H15 N O7.5 -","- C13 H15 N O7.5 -","- C26 H30 N2 O15 -","2","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0558","0.0442","","","0.1071","0.1172","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224260","7.1329","0.0003","7.3046","0.0003","14.7198","0.0007","97.922","0.002","97.425","0.002","117.095","0.0018","660.03","0.05","173","2","173","2","","","","","","","","6","P 1","P 1","1","","Mercury Iodide complex(zohori-Tez-Masoudi)","","- C22 H23 Hg I2 N5 O4 -","- C22 H23 Hg I2 N5 O4 -","- C22 H23 Hg I2 N5 O4 -","1","1","","Montazerozohori, Morteza; Masoudiasl, Ardavan; Doert, Thomas; Seykens, Heidi","Structural and computational study of some new nano-structured Hg(II) compounds: a combined X-ray, Hirshfeld Surface and NBO analyses","RSC Adv.","2016","","","","","10.1039/C5RA22899A","","","0.71073","MoKα","","0.0359","0.0326","","","0.0767","0.0778","","","","","","1.004","","","","has coordinates","176463","2020-10-21","18:00:00",""
"7224350","13.6952","","11.1812","","10.7534","","82.39","","92.5433","","90.1698","","1630.54","","298.15","","298.15","","","","","","","","","5","P 1","P 1","1","GL-SA","","","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","1","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.782","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"7224382","9.6702","0.0003","10.9556","0.0003","14.5845","0.0004","108.448","0.001","90.6828","0.0011","101.232","0.001","1433.15","0.07","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H62 Cl6 Hf2 N8 O6 -","- C46 H62 Cl6 Hf2 N8 O6 -","- C46 H62 Cl6 Hf2 N8 O6 -","1","1","","Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies","RSC Adv.","2016","6","26","21706","","10.1039/C5RA26721H","","","0.71073","MoKα","","0.0228","0.0201","","","0.0474","0.049","","","","","","1.054","","","","has coordinates","176860","2020-10-21","18:00:00",""
"7224581","5.937","0.0003","5.9425","0.0003","10.0505","0.0007","105.428","0.004","101.284","0.004","99.757","0.003","325.87","0.03","140","2","140","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H18 N O3 -","- C15 H17 N O3 -","- C15 H17 N O3 -","1","1","","Zhang, Ya-Fei; Yin, Shao-Jie; Zhao, Min; Zhang, Jun-Qi; Li, Hai-Yan; Wang, Xingwang","Dinuclear Zinc Catalyzed Desymmetric Intramolecular Aldolization: An Enantioselective Construction of Spiro[Cyclohexanone-Oxindole] Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA02296K","","","1.54178","CuKα","","0.0509","0.0508","","","0.1544","0.1544","","","","","","1.156","","","","has coordinates","178141","2020-10-21","18:00:00",""
"7224892","10.1382","0.0007","11.3567","0.0008","14.0782","0.001","103.348","0.002","110.85","0.002","101.57","0.002","1400.79","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H21 Mn N5 O2 S2 -","- C15 H21 Mn N5 O2 S2 -","- C45 H63 Mn3 N15 O6 S6 -","3","3","","Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands","RSC Adv.","2016","6","41","34674","","10.1039/C6RA03754B","","","0.71073","MoKα","","0.0681","0.068","","","0.1756","0.1757","","","","","","1.114","","","","has coordinates","182010","2020-10-21","18:00:00",""
"7224946","7.4337","0.0001","9.2677","0.0001","17.007","0.0003","74.3","0.001","79.907","0.001","68.455","0.001","1045.37","0.03","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0966","0.1011","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224947","7.3931","0.0007","9.2277","0.0008","14.7018","0.0013","98.038","0.006","97.853","0.006","110.152","0.005","913.71","0.15","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C40 H62 N2 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0896","0.0469","","","0.0883","0.1041","","","","","","1.004","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225083","9.0356","0.0002","10.3472","0.0003","16.0067","0.0005","97.804","0.003","104.923","0.002","100.186","0.002","1397.14","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C67 H66 N4 O12 -","- C66.99 H66 N4 O12 -","- C66.99 H66 N4 O12 -","1","1","","Bedekar, Ashutosh; Mothuku, Shyam Sundar","Synthesis of enantiomerically pure helicene-like mono 1,3-oxazines from 1,1’-binaphthyl-2,2’,7-triol and study of their chiroptical properties","RSC Adv.","2016","","","","","10.1039/C6RA10496G","","","1.54184","CuKα","","0.0446","0.0438","","","0.1189","0.12","","","","","","1.036","","","","has coordinates","182479","2020-10-21","18:00:00",""
"7225142","3.5356","0.0014","13.3","0.005","18.164","0.007","72.222","0.004","87.207","0.004","86.316","0.004","811.3","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H18 N16 O6 -","- C6 H18 N16 O6 -","- C12 H36 N32 O12 -","2","2","","Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun","Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors","RSC Adv.","2016","","","","","10.1039/C6RA10108A","","","0.71073","MoKα","","0.0937","0.091","","","0.24","0.2425","","","","","","1.031","","","","has coordinates","182836","2020-10-21","18:00:00",""
"7225167","7.21076","0.00011","11.66322","0.00014","15.64522","0.00015","99.3299","0.0008","98.8646","0.0013","105.99","0.0012","1220.43","0.03","293","","293","","","","","","","","","5","P 1","P 1","1","Phase 2","Sitagliptin L-tartrate Phase 2","","- C20 H21 F6 N5 O7 -","- C20 H15 F6 N5 O7.5 -","- C40 H30 F12 N10 O15 -","2","2","","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","powder diffraction","x-ray","1.5418","CuKα","","0.0583","0.0583","","0.0759","0.0759","","","","5.91","","","","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225335","7.86","0.0006","11.1738","0.001","19.087","0.0017","77.214","0.006","85.475","0.005","75.105","0.006","1579.4","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C54 H72 Cl6 N14 O12 -","2","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1279","0.0825","","","0.1866","0.2112","","","","","","0.989","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225563","7.896","0.001","8.4207","0.0007","14.3158","0.0016","80.843","0.008","81.536","0.01","89.868","0.008","929.27","0.18","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C42 H58 N6 O6 -","2","2","","Li, Yu-Ting; Gao, Xian-Da; Zhang, Wei; Huang, Xiao-Jun; Zhang, Dongmei; Jiang, Renwang; Wang, Lei; Zhang, Xiaoqi; Ye, Wen-Cai","Winchinines A and B, two unusual monoterpene indole alkaloids with a third nitrogen atom from Winchia calophylla","RSC Adv.","2016","","","","","10.1039/C6RA10137B","","","1.54184","CuKα","","0.0609","0.0556","","","0.154","0.1607","","","","","","1.117","","","","has coordinates","183530","2020-10-21","18:00:00",""
"7225700","6.5991","0.0007","6.9097","0.0007","8.2602","0.0009","109.839","0.01","95.545","0.009","94.714","0.008","349.97","0.07","","","293.2","","","","","","","","","5","P 1","P 1","1","","1,5,3-dithiazepan-3-ol","","- C2.667 H6 N0.667 O0.667 S1.333 -","- C2.66667 H6 N0.666667 O0.666667 S1.33333 -","- C8 H18 N2 O2 S4 -","3","3","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.7107","MoKα","","0.044094","0.035372","","","","0.1103","","","","","","1.10693","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225706","6.8616","0.0011","8.8688","0.0008","8.9458","0.001","66.923","0.01","70.122","0.013","85.373","0.01","470.12","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-3-hydroxypropanoic acid","","- C7 H13 N O3 S2 -","- C7 H13 N O3 S2 -","- C14 H26 N2 O6 S4 -","2","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.71073","","","0.0524","0.0467","","","0.1122","0.1182","","","","","","0.864","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225799","9.801","0.002","13.736","0.003","14.268","0.003","79.99","0.03","80.75","0.03","85","0.03","1863.5","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C84 H78 N18 O12 -","6","6","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0618","0.0583","","","0.159","0.1629","","","","","","1.061","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225889","5.0265","0.0003","6.184","0.0003","8.1859","0.0004","93.095","0.003","102.264","0.003","106.883","0.003","236.1","0.02","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C7 H9 Cl N2 O4 -","- C7 H9 Cl N2 O4 -","- C7 H9 Cl N2 O4 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0238","0.0234","","","0.0575","0.0577","","","","","","1.062","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225890","8.1185","0.0008","8.2996","0.0008","8.8998","0.0009","100.911","0.005","106.931","0.005","117.952","0.004","467.58","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H18 Br Cl N4 O8 -","- C14 H18 Br Cl N4 O8 -","- C14 H18 Br Cl N4 O8 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0333","0.0331","","","0.0831","0.0832","","","","","","1.141","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225891","7.7692","0.0003","9.6937","0.0005","10.7311","0.0004","102.275","0.003","93.038","0.002","107.62","0.003","746.66","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H26 Br Cl N4 O12 -","- C28 H26 Br Cl N4 O12 -","- C28 H26 Br Cl N4 O12 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0361","0.0345","","","0.0794","0.0803","","","","","","1.057","","","","has coordinates,has disorder","184384","2020-10-21","18:00:00",""
"7226613","17.5783","0.0003","22.7463","0.0004","25.9258","0.0005","102.255","0.0007","96.1105","0.0007","101.03","0.0007","9825.3","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C42.5 H114.3 K1.2 La N8.5 Na2 O110 P2 W22 -","- C32.5 K0.666667 La N6.5 O102.833 P2 W22 -","- C97.5 K2 La3 N19.5 O308.5 P6 W66 -","3","3","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0661","0.0563","","","0.1366","0.1433","","","","","","1.044","","","","has coordinates","186765","2020-10-21","18:00:00",""
"7226614","12.826","0.0005","13.3186","0.0005","19.8495","0.0007","103.758","0.0009","93.0038","0.001","97.6501","0.0009","3251.7","0.2","193","","193","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 Nd O111.6 P2 W22 -","- C17.5 K N3.5 Na Nd O98 P2 W22 -","- C17.5 K N3.5 Na Nd O98 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0402","0.0377","","","0.095","0.0974","","","","","","1.044","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226615","12.8341","0.0003","13.2819","0.0003","19.7712","0.0004","103.714","0.0008","93.0424","0.0007","97.6039","0.0007","3232.85","0.12","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H122.2 K1.3 N8.3 Na3.2 O115.1 P2 Sm W22 -","- C18 K N3.5 Na1.5 O96 P2 Sm W22 -","- C18 K N3.5 Na1.5 O96 P2 Sm W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0476","0.0455","","","0.1216","0.1237","","","","","","1.067","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226616","17.4826","","22.6885","","25.8377","","102.26","","96.378","","100.699","","9719.15","","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C42.5 H120.3 Eu K1.2 N8 Na2 O113 P2 W22 -","- C26.6667 Eu K1.2 N5.33333 O96.3333 P2 W22 -","- C80 Eu3 K3.6 N16 O289 P6 W66 -","3","3","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.069","0.0539","","","0.1275","0.1367","","","","","","1.057","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226617","12.8744","0.0006","13.3048","0.0007","19.7946","0.0009","103.687","0.0013","93.1594","0.0011","97.526","0.0013","3252.9","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H133.2 Gd K1.3 N8.3 Na3.2 O120.6 P2 W22 -","- C17.5 Gd K N3.5 Na1.5 O98.5 P2 W22 -","- C17.5 Gd K N3.5 Na1.5 O98.5 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0771","0.0635","","","0.16","0.1719","","","","","","1.044","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226618","12.8558","0.0004","13.2973","0.0004","19.7631","0.0007","103.706","0.0009","92.9304","0.001","97.5649","0.0009","3241.77","0.18","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H118.2 K1.3 N8.3 Na3.2 O113.1 P2 Tb W22 -","- C20 K N4 Na0.5 O94 P2 Tb W22 -","- C20 K N4 Na0.5 O94 P2 Tb W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0548","0.0492","","","0.1196","0.124","","","","","","1.039","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226619","12.8751","0.0006","13.3","0.0007","19.7296","0.001","103.88","0.0013","92.7303","0.0012","97.6425","0.0013","3239.6","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H117.2 Dy K1.3 N8.3 Na3.2 O112.6 P2 W22 -","- C12.5 Dy K N2.5 Na0.5 O95 P2 W22 -","- C12.5 Dy K N2.5 Na0.5 O95 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0814","0.071","","","0.1931","0.2111","","","","","","1.113","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226620","12.841","0.0004","13.2876","0.0004","19.8313","0.0006","103.579","0.0009","93.9442","0.0008","97.6353","0.0009","3242.39","0.17","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H109.2 Er K1.3 N8.3 Na3.2 O108.6 P2 W22 -","- C20 Er K N4 Na2 O100.5 P2 W22 -","- C20 Er K N4 Na2 O100.5 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0435","0.0413","","","0.1071","0.1087","","","","","","1.064","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226621","12.8257","0.0004","13.2693","0.0004","19.832","0.0006","103.605","0.0009","93.8931","0.0009","97.6665","0.001","3233.83","0.17","203","","203","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H119.2 K1.3 N8.3 Na3.2 O113.6 P2 Tm W22 -","- C20 K N4 Na O102.5 P2 Tm W22 -","- C20 K N4 Na O102.5 P2 Tm W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0386","0.0365","","","0.0899","0.092","","","","","","1.037","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226622","12.8441","0.0003","13.2571","0.0003","19.6876","0.0004","103.795","0.0007","93.0243","0.0007","97.5524","0.0007","3215.05","0.12","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 O111.6 P2 W22 Yb -","- C20 K N4 Na O98.5 P2 W22 Yb -","- C20 K N4 Na O98.5 P2 W22 Yb -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.041","0.04","","","0.1059","0.1069","","","","","","1.069","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226623","12.8442","0.0006","13.2756","0.0006","19.7854","0.0009","103.646","0.0012","93.522","0.0012","97.6179","0.0012","3234.4","0.3","193","","193","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H105.2 K1.3 N8.3 Na3.2 O106 P2 W22 Y -","- C20 K N4 Na O101.5 P2 W22 Y -","- C20 K N4 Na O101.5 P2 W22 Y -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0569","0.0517","","","0.1279","0.1327","","","","","","1.058","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226688","13.659","0.0012","14.6041","0.0013","18.4079","0.0016","94.569","0.001","101.034","0.002","98.8","0.002","3539.1","0.5","298","2","298","2","","","","","","","","6","P 1","P 1","1","","Complex 1","","- C68 H72 Cl4 Cu4 N4 O12 -","- C68 H72 Cl4 Cu4 N4 O12 -","- C136 H144 Cl8 Cu8 N8 O24 -","2","2","","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","","0.1947","0.1141","","","0.2843","0.3292","","","","","","1.073","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7226861","7.6855","0.0015","7.8344","0.0016","8.1579","0.0016","91.15","0.03","104.78","0.03","116.81","0.03","418.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H14 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","1","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0368","0.0323","","","0.0788","0.0814","","","","","","1.041","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226930","6.658","0.0008","9.8155","0.0011","10.4663","0.0013","65.256","0.004","79.993","0.004","84.833","0.004","611.63","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","Mp-p1b-H24 {[1,2,3]Triazolo[1,5-a]quinoline}2, 4-I-F4-PhCOOH","","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","1","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.026","0.0257","","","0.0629","0.0633","","","","","","1.031","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7227216","4.7532","0.0001","8.1538","0.0002","10.0237","0.0002","113.997","0.001","91.275","0.001","90.003","0.001","354.801","0.014","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","1","1","","Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T.","Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene","CrystEngComm","2017","19","2","346","","10.1039/C6CE02229D","","","0.71073","MoKα","","0.0553","0.0493","","","0.1342","0.1569","","","","","","1.109","","","","has coordinates,has disorder","191547","2020-10-21","18:00:00",""
"7227246","7.8089","0.00018","11.6361","0.0002","12.9991","0.0003","90.0033","0.0017","89.9908","0.0018","90.0086","0.0018","1181.17","0.04","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0246","0.0235","","","0.0577","0.0584","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227248","7.99901","0.00016","11.6844","0.0003","13.2191","0.0002","89.9922","0.0016","90.0224","0.0016","90.0075","0.0017","1235.5","0.04","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0247","0.0239","","","0.0585","0.0591","","","","","","1.038","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227249","7.8457","0.0002","11.6885","0.0002","13.0792","0.0003","90.0075","0.0018","89.998","0.002","90.0165","0.0019","1199.42","0.05","220","0.1","220","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0415","0.0368","","","0.0901","0.094","","","","","","1.029","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227250","8.02169","0.00015","11.7137","0.0002","13.2529","0.0002","89.9946","0.0015","90.0068","0.0015","89.9829","0.0015","1245.29","0.04","200","0.1","200","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0212","0.0205","","","0.0547","0.0552","","","","","","1.066","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227704","8.5213","0.0003","12.9489","0.0004","13.3149","0.0005","68.372","0.003","82.029","0.004","89.978","0.004","1350.5","0.09","","","","","","","","","","","","5","P 1","P 1","1","","","","- C52 H64 Cu4 N4 O12 -","- C52 H64 Cu4 N4 O12 -","- C52 H64 Cu4 N4 O12 -","1","1","","Kuang, Rui; Zheng, Luyi; Chi, Yanhui; Shi, Jingmin; Chen, Xuexue; Zhang, Chengcheng","Highly efficient electrochemical recognition and quantification of amine enantiomers based on a guest-free homochiral MOF","RSC Adv.","2017","7","19","11701","","10.1039/C7RA00205J","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","192222","2020-10-21","18:00:00",""
"7227854","13.2142","0.0005","13.8021","0.0005","15.108","0.0005","98.5544","0.0013","94.0136","0.0013","108.002","0.0012","2571.64","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C106 H112 Cu4 O20 -","- C106 H105 Cu4 O20 -","- C106 H105 Cu4 O20 -","1","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","","0.0996","0.0732","","","0.2015","0.2233","","","","","","1.059","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227912","11.9992","0.0009","12.9523","0.0005","12.967","0.0005","117.184","0.001","105.147","0.002","93.662","0.002","1690.55","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(D-Met)@TMeQ[6]}.(NO3)2.10H2O","complex3","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0466","0.0456","","","0.1259","0.1284","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227914","12.0385","0.0011","12.9653","0.0006","12.9988","0.0006","117.301","0.002","93.649","0.002","105.198","0.002","1699.4","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(L-Met)@TMeQ[6]}.(NO3)2.10H2O","complex4","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O34 S -","- C45 H55 Cd N27 O34 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0953","0.0853","","","0.22","0.2464","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227922","4.8168","0.0006","10.4707","0.001","11.0951","0.0009","107.086","0.008","95.382","0.009","93.503","0.009","530.21","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C4 H6 O5 -","- C4 H6 O5 -","- C16 H24 O20 -","4","4","","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","","0.0557","0.0519","","","0.1375","0.1425","","","","","","1.034","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228213","11.947","0.002","13.534","0.003","14.618","0.003","81.85","0.03","66.46","0.03","89.84","0.03","2141.2","0.9","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.11","0.09","","","0.2242","0.2444","","","","","","1.051","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228215","8.302","0.0017","14.375","0.003","17.195","0.003","66.8","0.03","88.82","0.03","78.25","0.03","1842.6","0.8","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0427","0.0419","","","0.1157","0.1165","","","","","","1.093","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228452","17.77","0.0004","18.09","0.0005","19.19","0.002","112.63","","96.4","","99.29","","5516.2","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C225.11 H259.71 Cl8.74 N24 O42.2 -","- C225.115 H259.733 Cl8.727 N24 O42.206 -","- C225.115 H259.733 Cl8.727 N24 O42.206 -","1","1","","Szymański, M. P.; Jędrzejewska, H.; Wierzbicki, M.; Szumna, A.","On the mechanism of mechanochemical molecular encapsulation in peptidic capsules","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02603J","","","0.7085","synchrotron","","0.064","0.0633","","","0.1761","0.1774","","","","","","1.025","","","","has coordinates,has disorder","197732","2020-10-21","18:00:00",""
"7228567","11.0125","0.0005","11.2448","0.0006","11.4104","0.0007","109.792","0.005","100.616","0.004","105.928","0.004","1217.02","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H32 B F24 N -","- C48 H32 B F24 N -","- C48 H32 B F24 N -","1","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","","","0.7107","MoKα","","0.0818","0.0739","","","0.1906","0.1945","","","","","","1.03","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228569","13.0651","0.0015","13.0711","0.0014","38.978","0.004","87.174","0.003","84.108","0.003","89.978","0.003","6613.2","1.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H68 B Cs F24 O7 -","- C60 H68 B Cs F24 O7 -","- C240 H272 B4 Cs4 F96 O28 -","4","4","","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","","0.0967","0.0879","","","0.2286","0.2359","","","","","","1.023","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228639","8.7021","0.0004","9.1183","0.0006","9.2356","0.0005","97.006","0.005","95.727","0.004","100.012","0.005","710.77","0.07","223","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C12 H18 F12 Mg N2 O12 S4 -","- C12 H18 F12 Mg N2 O12 S4 -","- C12 H18 F12 Mg N2 O12 S4 -","1","1","","Tsuzuki, Seiji; MANDAI, Toshihiko; Suzuki, Soma; Shinoda, Wataru; Nakamura, Takenobu; Morishita, Tetsuya; Ueno, Kazuhide; Seki, Shiro; Umebayashi, Yasuhiro; Dokko, Kaoru; Watanabe, Masayoshi","Effect of the cation on the stability of cation-glyme complexes and their interactions with the [TFSA]- anion","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02779F","","x-ray","0.71073","MoKα","","0.0573","0.0473","","","0.1163","0.1294","","","","","","0.891","","","","has coordinates","198503","2020-10-21","18:00:00",""
"7228833","7.4332","0.0012","12.5638","0.0019","12.657","0.002","67.799","0.01","78.034","0.013","78.704","0.013","1061.6","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) chloride.H20","","- C14 H20 Cl O3 S8 -","- C14 H20 Cl O3 S8 -","- C28 H40 Cl2 O6 S16 -","2","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.0647","0.0497","","","0.1291","0.1401","","","","","","1.07","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7229150","8.6705","0.0004","18.615","0.0009","18.7494","0.0007","64.176","0.004","89.183","0.003","76.713","0.004","2638.3","0.2","104.3","","104.3","","","","","","","","","3","P 1","P 1","1","","secopierisformoside A","","- C33 H44 O16 -","- C33 H44 O16 -","- C99 H132 O48 -","3","3","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0467","0.0444","","","0.1138","0.1165","","","","","","1.02","","","","has coordinates,has disorder","200819","2020-10-21","18:00:00",""
"7229253","8.1196","0.0005","9.4949","0.0007","10.9553","0.0007","105.246","0.006","108.647","0.006","95.76","0.006","756.22","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H29 O20.5 Zn4 -","- C24 H29 O20.5 Zn4 -","- C24 H29 O20.5 Zn4 -","1","1","","Gu, Lei; Zhang, Han-Zhong; Jiang, Wen-Hong; Hou, Guang-Feng; Yu, Ying-Hui; Ma, Dong-Sheng","A pair of novel Zn(ii) enantiomeric coordination polymers based on a chiral multicarboxylate ligand: synthesis, crystal structures and molecular recognition properties","RSC Adv.","2017","7","72","45862","","10.1039/C7RA08433A","","","0.71073","MoKα","","0.0359","0.0283","","","0.0577","0.0605","","","","","","1.005","","","","has coordinates","201342","2020-10-21","18:00:00",""
"7229254","8.1097","0.0003","9.504","0.0004","10.9547","0.0004","105.082","0.001","108.509","0.001","95.914","0.001","757.02","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 O20 Zn4 -","- C24 H28 O20 Zn4 -","- C24 H28 O20 Zn4 -","1","1","","Gu, Lei; Zhang, Han-Zhong; Jiang, Wen-Hong; Hou, Guang-Feng; Yu, Ying-Hui; Ma, Dong-Sheng","A pair of novel Zn(ii) enantiomeric coordination polymers based on a chiral multicarboxylate ligand: synthesis, crystal structures and molecular recognition properties","RSC Adv.","2017","7","72","45862","","10.1039/C7RA08433A","","","0.71073","MoKα","","0.0379","0.0267","","","0.0554","0.0598","","","","","","1.018","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7229653","5.6325","0.0005","7.9186","0.0007","10.9501","0.0009","88.389","0.002","83.823","0.001","87.401","0.002","484.92","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C18 H25 N O6 S -","1","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0766","0.0604","","","0.1553","0.1779","","","","","","1.072","","","","has coordinates","203969","2020-10-21","18:00:00",""
"7229722","11.8378","0.0003","13.0103","0.0003","16.5916","0.0003","67.729","0.0019","71.634","0.002","78.1997","0.0019","2233.7","0.09","116.95","0.1","116.95","0.1","","","","","","","no","5","P 1","P 1","1","no","salt of titanyl phthalocyanine with tetrapentylammonium cations","","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","1","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.045","0.0379","","","0.092","0.0963","","","","","","1.041","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229726","11.8287","0.0004","13.0419","0.0004","16.6492","0.0005","67.7","0.003","71.527","0.003","78.147","0.002","2243.27","0.14","116.7","0.6","116.7","0.6","","","","","","","no","5","P 1","P 1","1","no","salt of vanadyl phthalocyanine with tetrapentylammonium cation","","- C52 H60 N9 O V -","- C52 H60 N9 O V -","- C104 H120 N18 O2 V2 -","2","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0586","0.0428","","","0.0927","0.1019","","","","","","1.027","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229882","7.9518","0.0003","9.5337","0.0005","10.5702","0.0003","89.02","0.003","76.831","0.003","65.86","0.004","709.41","0.06","99.9","0.2","99.9","0.2","","","","","","","","5","P 1","P 1","1","","","","- C34 H33 B N2 O8 -","- C34 H33 B N2 O8 -","- C34 H33 B N2 O8 -","1","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0256","0.0252","","","0.0661","0.0664","","","","","","1.012","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7230323","8.2123","0.0002","12.336","0.0002","13.0008","0.0002","65.655","0.001","78.648","0.001","83.568","0.001","1175.78","0.04","296","2","296","2","","","","","","","photochromic","5","P 1","P 1","1","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-dihydroxybenzoic acid","","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","1","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.065","0.0464","","","0.1011","0.1303","","","","","","1.123","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230723","8.3611","0.0002","10.3462","0.0002","10.3808","0.0003","106.747","0.003","113.735","0.003","103.091","0.003","724.61","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C30 H24 I4 N4 -","2","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0181","0.0171","","","0.04","0.0403","","","","","","1.059","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230776","10.763","0.011","8.256","0.007","7.985","0.006","90.26","0.06","91.72","0.09","99.47","0.1","699.5","1.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","1","1","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.1347","0.079","","","0.1867","0.2059","","","","","","1.038","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230992","4.9064","0.0003","8.7118","0.0006","17.1527","0.0014","102.543","0.007","96.249","0.005","90.472","0.005","711.03","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","x-ray","1.54178","CuKα","","0.0528","0.0453","","","0.1155","0.1207","","","","","","1.049","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230994","5.0193","0.0003","8.6051","0.0006","10.2069","0.0007","69.005","0.004","77.721","0.004","89.513","0.004","401.06","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0394","0.0389","","","0.096","0.0968","","","","","","1.045","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7231289","5.7811","0.0003","15.3719","0.0009","23.4378","0.0008","102.629","0.004","90.481","0.003","95.883","0.004","2020.72","0.18","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C84 H96 N12 O6 -","2","2","","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","","0.1063","0.0683","","","0.1605","0.1827","","","","","","0.986","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231372","5.5932","0.0003","6.0945","0.0004","16.8563","0.0008","97.308","0.004","94.713","0.004","107.291","0.005","539.79","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 F N4 O3 -","- C9 H13 F N4 O3 -","- C18 H26 F2 N8 O6 -","2","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","1.54178","CuKα","","0.0426","0.0417","","","0.1117","0.1137","","","","","","1.047","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231853","6.9631","0.001","10.2646","0.0014","11.2511","0.0015","74.472","0.006","81.297","0.006","70.974","0.006","730.66","0.18","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","2","","Zhang, Jiaozhen; Wang, Yongjie; Zhu, Rongxiu; Li, Yi; Li, Yuelan; Qiao, Yanan; Zhou, Jinchuan; Lou, Hongxiang","Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential","RSC Advances","2018","8","68","39091","","10.1039/C8RA08125E","","","1.54178","CuKα","","0.0447","0.0382","","","0.0908","0.0955","","","","","","1.038","","","","has coordinates","212128","2020-10-21","18:00:00",""
"7231916","9.894","0.005","12.719","0.005","12.789","0.005","60.037","0.005","77.603","0.005","83.457","0.005","1361.7","1","298","1","298","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","1","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.0889","0.0617","","","0.1734","0.1893","","","","","","1.019","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231965","7.31144","0.00016","9.2985","0.0002","12.3778","0.0002","89.7413","0.0017","88.0129","0.0017","70.786","0.002","794.14","0.03","150","1","150","1","","","","","","","","3","P 1","P 1","1","","","","- C37 H52 O5 -","- C37 H52 O5 -","- C37 H52 O5 -","1","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0254","0.0254","","","0.0739","0.0739","","","","","","1.051","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7232023","9.6682","0.0006","10.0302","0.0006","10.911","0.0007","104.893","0.002","93.675","0.002","110.003","0.002","947.3","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Gd2 N2 O21","","","- C24 H40 Cl2 Gd2 N2 O21 -","- C24 H30 Cl2 Gd2 N2 O21 -","- C24 H30 Cl2 Gd2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0184","0.0164","","","0.0427","0.0436","","","","","","1.061","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232024","9.6686","0.0006","10.0202","0.0004","10.8727","0.0004","104.824","0.003","93.71","0.005","109.569","0.005","946.31","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Eu2 N2 O21","","","- C24 H40 Cl2 Eu2 N2 O21 -","- C24 H30 Cl2 Eu2 N2 O21 -","- C24 H30 Cl2 Eu2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0723","0.0603","","","0.1298","0.1427","","","","","","1.052","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232025","9.6763","0.0004","10.0338","0.0004","10.9853","0.0005","105.072","0.003","93.691","0.003","110.107","0.004","953.1","0.08","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 N2 O21 Tb2","","","- C24 H40 Cl2 N2 O21 Tb2 -","- C24 H26 Cl2 N2 O21 Tb2 -","- C24 H26 Cl2 N2 O21 Tb2 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0505","0.0415","","","0.0804","0.0865","","","","","","1.06","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232026","9.6947","0.0004","10.0533","0.0005","11.0032","0.0007","105.039","0.005","93.823","0.004","110.052","0.004","958.48","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Dy2 N2 O21","","","- C24 H40 Cl2 Dy2 N2 O21 -","- C24 H30 Cl2 Dy2 N2 O21 -","- C24 H30 Cl2 Dy2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0565","0.0467","","","0.084","0.0922","","","","","","1.051","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232303","8.9882","0.0003","9.3953","0.0003","10.2162","0.0004","69.449","0.002","70.162","0.002","66.207","0.002","719.21","0.05","296","2","296","2","","","","","","","","3","P 1","P 1","1","OK-21","OK-21","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.0891","0.0603","","","0.1427","0.1583","","","","","","1.018","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232459","12.1508","0.0008","14.253","0.0008","14.6096","0.0015","109.838","0.002","105.079","0.002","105.393","0.002","2116.6","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","1","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","","0.0561","0.0354","","","0.0804","0.0887","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232460","7.3028","0.0001","9.9693","0.0002","12.9323","0.0002","97.374","0.001","99.698","0.001","92.89","0.001","917.89","0.03","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","1","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","","0.025","0.0241","","","0.0585","0.0591","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232461","12.4212","0.0004","14.1095","0.0005","15.4139","0.0008","105.001","0.002","101.599","0.002","111.566","0.001","2290.95","0.17","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","1","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","","0.0724","0.0522","","","0.1275","0.1409","","","","","","0.994","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232462","7.4499","0.0003","9.9281","0.0004","12.0888","0.0005","88.806","0.001","72.724","0.001","84.926","0.001","850.43","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","1","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","","0.0239","0.0231","","","0.0548","0.0552","","","","","","1.091","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232464","9.5864","0.0001","12.4322","0.0002","15.9217","0.0002","69.205","0.001","72.478","0.001","73.295","0.001","1656.57","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cd N6 O12 -","- C28 H38 Cd N6 O12 -","- C56 H76 Cd2 N12 O24 -","2","2","","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","","0.0533","0.0467","","","0.1237","0.1304","","","","","","1.079","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232538","7.2223","0.0003","7.995","0.001","18.538","0.002","78.672","0.01","82.396","0.005","85.86","0.007","1039.17","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-FUM","Paroxetine fumarate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C46 H48 F2 N2 O14 -","2","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0432","0.0394","","","0.1026","0.1061","","","","","","1.048","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232540","11.629","0.002","11.649","0.002","17.584","0.005","77.74","0.004","77.333","0.004","71.079","0.003","2172.6","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-MAL","Paroxetine maleate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C92 H96 F4 N4 O28 -","4","4","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0666","0.0654","","","0.1687","0.1708","","","","","","1.04","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232691","9.6669","0.0003","14.8741","0.0006","19.1839","0.0006","86.367","0.004","81.808","0.003","71.038","0.003","2581.65","0.16","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0424","0.0399","","","0.1067","0.109","","","","","","1.053","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232694","9.8268","0.0002","10.7524","0.0002","12.3034","0.0003","104.385","0.002","99.112","0.002","92.482","0.002","1238.7","0.05","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-tert-butyl)ethane","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0319","0.0316","","","0.0852","0.0855","","","","","","1.08","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232883","7.958","0.003","9.582","0.003","11.27","0.004","92.09","0.03","90.88","0.03","114.23","0.03","782.7","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","1","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0535","0.0518","","","0.1327","0.1358","","","","","","1.055","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7233335","8.3294","0.0006","9.6074","0.0007","16.413","0.0011","86.861","0.005","84.758","0.005","74.072","0.006","1257.12","0.16","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","2","","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","","0.0627","0.0544","","","0.1522","0.1694","","","","","","0.787","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233448","5.416","0.0004","16.0287","0.0012","18.689","0.0018","115.342","0.002","91.826","0.004","94.608","0.003","1457.6","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C72 H84 O4 -","2","2","","Ori Gidron; Afshin Dadvand; Emily Wei-Hsin Sun; Insik Chung; Linda J. W. Shimon; Michael Bendikov; Dmitrii F. Perepichka","Oligofuran-containing molecules for organic electronics","Journal of Materials Chemistry C","2013","1","","4358","4367","10.1039/C3TC00079F","","","0.71073","MoKα","","0.0726","0.0442","","","0.0824","0.0929","","","","","","1.005","","","","has coordinates","217718","2020-10-21","18:00:00",""
"7233500","6.1964","0.0004","7.3745","0.0004","33.1004","0.0018","93.63","0.003","94.782","0.003","95.576","0.003","1496.24","0.15","190","2","190","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H46 N4 O3 -","- C32 H46 N4 O3 -","- C64 H92 N8 O6 -","2","2","","Muhammad Tariq; Shahid Hameed; Ivan H. Bechtold; Adailton J. Bortoluzzi; Aloir A. Merlo","Synthesis and characterization of some novel tetrazole liquid crystals","Journal of Materials Chemistry C","2013","1","","5583","5593","10.1039/C3TC30966E","","","0.71073","MoKα","","0.079","0.0661","","","0.172","0.1794","","","","","","1.057","","","","has coordinates","217770","2020-10-21","18:00:00",""
"7233542","5.6127","0.0004","9.3029","0.0007","11.6456","0.0006","101.243","0.005","91.903","0.005","105.888","0.006","571.19","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","(+/-) Synephrine L-tarataric acid salt (2:1)","","","- C22 H32 N2 O10 -","- C22 H32 N2 O10 -","- C22 H32 N2 O10 -","1","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71073","MoKα","","0.0607","0.0481","","","0.1082","0.1227","","","","","","1.037","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233600","6.4991","0.0006","6.5059","0.0006","11.3175","0.0011","88.458","0.006","86.019","0.005","61.351","0.005","418.92","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- B10 H6 O22 Sr4 -","- B10 H6 O22 Sr4 -","- B10 H6 O22 Sr4 -","1","1","","Fangyuan Zhang; Qun Jing; Fangfang Zhang; Shilie Pan; Zhihua Yang; Jian Han; Min Zhang; Shujuan Han","Sr4B10O18(OH)2.2H2O: a new UV nonlinear optical material with a [B10O23]16- building block","Journal of Materials Chemistry C","2014","2","","667","674","10.1039/C3TC31420K","","","0.71073","MoKα","","0.0324","0.0288","","","0.0587","0.0597","","","","","","1.018","","","","has coordinates","217908","2020-10-21","18:00:00",""
"7233731","4.8349","0.0003","5.364","0.0003","16.1843","0.001","81.706","0.002","89.469","0.003","86.953","0.003","414.75","0.04","147","2","147","2","","","","","","","","3","P 1","P 1","1","(S,S,S)-arabitol monocaprate","(2S,3S,4S)-2,3,4,5-tetrahydroxypentyl decanoate","","- C15 H30 O6 -","- C15 H30 O6 -","- C15 H30 O6 -","1","1","","Manhas, Sanjay; Lin, Yu Chen; Wang, Grace; Kyne, Luke T.; Taylor, Mark S.","Boronic acid-promoted site-selective Fischer esterifications of sugar alcohols","Green Chemistry","2019","21","19","5363","","10.1039/C9GC00901A","","","1.54178","CuKα","","0.0331","0.0328","","","0.0849","0.0851","","","","","","1.05","","","","has coordinates","224610","2020-10-21","18:00:00",""
"7233937","8.15","0.03","8.52","0.04","8.77","0.03","82.77","0.19","65.14","0.13","79.9","0.2","543","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4 -","- C12 H32 Cl2 N2 O8 -","2","2","","Kaige Gao; Minqiang Gu; Xiangbiao Qiu; X. N. Ying; Heng-Yun Ye; Yi Zhang; Jinglan Sun; Xiangjian Meng; F. M. Zhang; Di Wu; Hong-Ling Cai; X. S. Wu","Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate","Journal of Materials Chemistry C","2014","2","","9957","9963","10.1039/C4TC01882F","","","0.71073","MoKα","","0.1572","0.1098","","","0.2912","0.345","","","","","","1.081","","","","has coordinates","218436","2020-10-21","18:00:00",""
"7234000","10.62","0.002","10.757","0.002","18.073","0.004","79.44","0.03","88.37","0.03","76.63","0.03","1974.5","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H31 B N2 O2 -","- C31 H31 B N2 O2 -","- C93 H93 B3 N6 O6 -","3","3","","Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang","Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission","Journal of Materials Chemistry C","2015","3","","499","505","10.1039/C4TC02070G","","","0.71073","MoKα","","0.1697","0.0647","","","0.123","0.1642","","","","","","0.957","","","","has coordinates","218583","2020-10-21","18:00:00",""
"7234121","9.895","0.002","11.075","0.002","15.169","0.003","71.726","0.003","83.896","0.004","85.526","0.004","1567.8","0.5","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H59 F6 N6 O6 Pt2 S2 -","- C66 H59 F6 N6 O6 Pt2 S2 -","- C66 H59 F6 N6 O6 Pt2 S2 -","1","1","","Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You","Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes","Journal of Materials Chemistry C","2015","3","","2350","2357","10.1039/C4TC02800G","","","0.71073","MoKα","","0.0755","0.0645","","","0.1658","0.1734","","","","","","1.054","","","","has coordinates","218785","2020-10-21","18:00:00",""
"7234182","8.2621","0.0017","8.9309","0.0018","21.084","0.004","81.69","0.03","85.17","0.03","82.15","0.03","1521.7","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C68 H92 N2 O4 -","- C68 H92 N2 O4 -","- C68 H92 N2 O4 -","1","1","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.1278","0.0591","","","0.1381","0.1698","","","","","","0.964","","","","has coordinates","218869","2020-10-21","18:00:00",""
"7234187","7.662","0.002","7.788","0.002","17.071","0.005","77.759","0.005","88.811","0.006","83.896","0.006","989.8","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H48 F4 N2 Si2 -","- C42 H48 F4 N2 Si2 -","- C42 H48 F4 N2 Si2 -","1","1","","Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang","Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels","Journal of Materials Chemistry C","2015","3","","4188","4196","10.1039/C4TC02859G","","","0.71073","MoKα","","0.0956","0.0608","","","0.1487","0.1759","","","","","","0.978","","","","has coordinates","218871","2020-10-21","18:00:00",""
"7234460","8.9757","0.0002","9.3007","0.0002","13.5937","0.0003","101.458","0.001","97.316","0.001","106.577","0.001","1045.31","0.04","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H33 Cl3 O4 S4 -","- C51 H33 Cl3 O4 S4 -","- C51 H33 Cl3 O4 S4 -","1","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0432","0.0359","","","0.0839","0.093","","","","","","1.048","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234914","5.0586","0.0002","9.4971","0.0004","11.2012","0.0005","87.637","0.004","80.166","0.003","89.255","0.003","529.76","0.04","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","2","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","x-ray","0.71073","MoKα","","0.0599","0.0492","","","0.1102","0.1192","","","","","","1.137","","","","has coordinates,has disorder","222668","2020-10-21","18:00:00",""
"7234915","5.012","0.0002","9.4413","0.0004","11.0484","0.0005","88.242","0.004","80.518","0.003","89.255","0.003","515.41","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4.0005 N2 O2 -","- C16 H22 B2 F8.001 N4 O4 -","2","2","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","x-ray","0.71073","MoKα","","0.0495","0.0468","","","0.1174","0.1201","","","","","","1.156","","","","has coordinates","222668","2020-10-21","18:00:00",""
"7235183","9.6285","0.0003","9.8729","0.0003","10.6722","0.0004","99.852","0.002","96.899","0.002","116.498","0.002","872.06","0.05","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H26 N12 Zn2 -","- C42 H26 N12 Zn2 -","- C42 H26 N12 Zn2 -","1","1","","Shruti Mendiratta; Muhammad Usman; Chun-Chi Chang; Yung-Chi Lee; Jenq-Wei Chen; Maw-Kuen Wu; Ying-Chih Lin; Chao-Ping Hsu; Kuang-Lieh Lu","Zn(ii)-based metal-organic framework: an exceptionally thermally stable, guest-free low dielectric material","Journal of Materials Chemistry C","2017","5","","1508","1513","10.1039/C6TC05314A","","","0.71073","MoKα","","0.0679","0.0532","","","0.133","0.1619","","","","","","1.029","","","","has coordinates","231035","2020-10-21","18:00:00",""
"7235315","6.9045","0.0002","7.9441","0.0002","15.2565","0.0004","82.911","0.001","77.052","0.001","81.884","0.001","803.71","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0382","0.0379","","","0.1035","0.1037","","","","","","1.073","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235316","6.8872","0.0003","7.9769","0.0004","15.0753","0.0007","93.167","0.003","102.378","0.003","98.319","0.003","797.26","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.089","0.084","","","0.2339","0.2389","","","","","","1.122","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235317","6.9689","0.0005","8.0453","0.0005","14.9788","0.001","93.118","0.003","101.808","0.003","98.412","0.003","810.11","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.1501","0.1133","","","0.2823","0.3106","","","","","","1.064","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235318","6.8789","0.0006","8.1405","0.0007","14.5005","0.0013","92.437","0.005","98.844","0.005","99.96","0.005","788.25","0.12","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0857","0.0747","","","0.1964","0.2113","","","","","","1.07","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235441","7.1542","0.001","10.7836","0.0015","13.6937","0.0016","100.555","0.01","102.81","0.011","96.767","0.011","998.8","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C44 H34 N2 O12 S2 -","2","2","","Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Srivastava, Abhijeet; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP-promoted domino annulation of β-ketothioamides with internal alkynes: a highly regioselective access to functionalized 1,3-thiazolidin-4-ones at room temperature","RSC Adv.","2014","4","23","11640","","10.1039/C4RA00131A","","","0.71073","MoKα","","0.0851","0.0403","","","0.1077","0.1788","","","","","","0.97","","","","has coordinates","233036","2020-10-21","18:00:00",""
"7235632","4.8448","0.0004","9.885","0.0007","14.1315","0.0013","78.203","0.004","83.713","0.004","88.665","0.005","658.49","0.09","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C20 H20 F6 N8 O3 Pt S2 -","- C20 H20 F6 N8 O3 Pt S2 -","- C20 H20 F6 N8 O3 Pt S2 -","1","1","","Septiadi, Dedy; Aliprandi, Alessandro; Mauro, Matteo; De Cola, Luisa","Bio-imaging with neutral luminescent Pt(ii) complexes showing metal⋯metal interactions","RSC Adv.","2014","4","49","25709","","10.1039/C4RA02351J","","","0.71073","MoKα","","0.0471","0.0437","","","0.1178","0.1317","","","","","","1.189","","","","has coordinates,has disorder","233189","2020-10-21","18:00:00",""
"7235842","9.1017","0.0018","9.1163","0.0018","16.216","0.003","97.35","0.03","98.03","0.03","119.78","0.03","1125.5","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H40 Cd N18 O10 -","- C40 H40 Cd N18 O10 -","- C40 H40 Cd N18 O10 -","1","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0365","0.0345","","","0.0914","0.0936","","","","","","1.113","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235923","11.0822","0.0007","11.5824","0.0007","15.3798","0.0014","96.815","0.004","99.359","0.004","115.128","0.003","1724.1","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H29 N O5 -","- C17 H29 N O5 -","- C68 H116 N4 O20 -","4","4","","Huang, Chih-Yu; Chen, Li-Hsun; Huang, Hsuan-Yu; Kao, Feng-Sheng; Lee, Yun-Ta; Selvaraju, Manikandan; Sun, Chung-Ming; Chen, Hueih-Min","Parallel synthesis and biological evolution of quinic acid derivatives as immuno-suppressing agents against T-cell receptors","RSC Advances","2015","5","63","50801","","10.1039/C5RA06095H","","","0.71073","MoKα","","0.0777","0.0599","","","0.1379","0.1859","","","","","","1.069","","","","has coordinates","233758","2020-10-21","18:00:00",""
"7236158","10.0089","0.0004","10.4658","0.0004","10.8995","0.0004","61.537","0.002","78.686","0.002","66.103","0.002","917.68","0.06","90","0.5","90","0.5","","","","","","","","7","P 1","P 1","1","","","","- C43 H38 Cl2 N O3 P S -","- C43 H38 Cl2 N O3 P S -","- C43 H38 Cl2 N O3 P S -","1","1","","Galpothdeniya, Waduge Indika S.; Fronczek, Frank R.; Cong, Mingyan; Bhattarai, Nimisha; Siraj, Noureen; Warner, Isiah M.","Tunable GUMBOS-based sensor array for label-free detection and discrimination of proteins","Journal of Materials Chemistry B","2016","4","8","1414","","10.1039/C5TB02038G","","","0.71073","MoKα","","0.0501","0.0412","","","0.1001","0.1064","","","","","","1.04","","","","has coordinates","233971","2020-10-21","18:00:00",""
"7236236","13.594","0.004","14.583","0.003","15.223","0.003","117.706","0.011","91.142","0.011","108.782","0.016","2477.2","1.1","100","","100","","","","","","","","fungus Fusarium decemcellulare LG53","4","P 1","P 1","1","","","","- C30 H55 N5 O5 -","- C30 H55 N5 O5 -","- C90 H165 N15 O15 -","3","3","","Li, Gang; Kusari, Souvik; Golz, Christopher; Strohmann, Carsten; Spiteller, Michael","Three cyclic pentapeptides and a cyclic lipopeptide produced by endophytic Fusarium decemcellulare LG53","RSC Advances","2016","6","59","54092","","10.1039/C6RA10905E","","","1.54178","CuKα","","0.0501","0.0461","","","0.1148","0.1187","","","","","","1.05","","","","has coordinates","235296","2020-10-21","18:00:00",""
"7236918","4.51809","0.00036","5.4084","0.00038","14.86056","0.00086","84.8666","0.0051","86.2921","0.0051","88.2557","0.0051","360.8","0.04","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C7 H5 Au O2 S -","- C7 H4 Au O2 S -","- C14 H8 Au2 O4 S2 -","2","2","","Veselska, Oleksandra; Okhrimenko, Larysa; Guillou, Nathalie; Podbevšek, Darjan; Ledoux, Gilles; Dujardin, Christophe; Monge, Miguel; Chevrier, Daniel M.; Yang, Rui; Zhang, Peng; Fateeva, Alexandra; Demessence, Aude","An intrinsic dual-emitting gold thiolate coordination polymer, [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing","J. Mater. Chem. C","2017","5","38","9843","","10.1039/C7TC03605A","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.031","5.21","","","","","","","has coordinates","236633","2020-10-21","18:00:00",""
"7237262","7.0494","0.0004","9.2238","0.0005","9.4011","0.0005","93.3","0.002","97.259","0.002","105.496","0.002","581.67","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C4 H8 Ag7 N23 O9 -","- C4 H8 Ag7 N23 O9 -","- C4 H8 Ag7 N23 O9 -","1","1","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0747","0.0623","","","0.1729","0.1799","","","","","","1.165","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237264","12.7039","0.0006","13.6838","0.0011","20.0466","0.0013","71.882","0.007","78.624","0.005","75.444","0.006","3178.8","0.4","129.9","0.4","129.9","0.4","","","","","","","","3","P 1","P 1","1","","","","- C32 H22 O8 -","- C32 H22 O8 -","- C128 H88 O32 -","4","4","","Shi, Lei; Li, Kun; Cui, Peng-Cheng; Li, Ling-Ling; Pan, Sheng-Lin; Li, Meng-Yang; Yu, Xiao-Qi","BINOL derivatives with aggression-induced emission","Journal of Materials Chemistry B","2018","6","27","4413","","10.1039/C8TB00774H","","x-ray","0.71073","MoKα","","0.084","0.0564","","","0.1454","0.1626","","","","","","0.911","","","","has coordinates","237536","2020-10-21","18:00:00",""
"7237366","8.029","0.002","8.027","0.002","8.722","0.003","62.81","0.03","63.22","0.03","59.99","0.03","414.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C8 H20 N4 O12 Zn2 -","- C8 H20 N4 O12 Zn2 -","- C8 H20 N4 O12 Zn2 -","1","1","","Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian","On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate","Journal of Materials Chemistry C","2018","6","35","9420","","10.1039/C8TC02421A","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.1109","0.1152","","","","","","0.968","","","","has coordinates","237629","2020-10-21","18:00:00",""
"7237469","14.9615","0.0014","14.962","","21.315","0.0019","90","","90","","120","","4132.2","0.5","298","2","298.32","","","","","","","","","4","P 1","P 1","1","","","","- C35 H25 N5 O -","- C35 H25 N5 O -","- C210 H150 N30 O6 -","6","6","","Ma, Chaoqun; Ma, Huili; Ling, Kun; Zheng, Ruilin; Gu, Mingxing; Song, Lulu; An, Zhongfu; Shi, Huifang; Huang, Wei","Insight into chirality on molecular stacking for tunable ultralong organic phosphorescence","Journal of Materials Chemistry C","2018","6","38","10179","","10.1039/C8TC03297A","","","0.71073","MoKα","","0.0881","0.0513","","","0.0985","0.1104","","","","","","1.079","","","","has coordinates","237686","2020-10-21","18:00:00",""
"7237605","4.7639","0.0013","8.744","0.002","14.31","0.007","90.45","0.05","93.46","0.03","96.76","0.03","590.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(S)-2-hexyl-7-(2-phenylpropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","1","1","","Chen, Ming; Li, Jing; Jiao, Xuechen; Yang, Xiaochun; Wu, Wenting; McNeill, Christopher R.; Gao, Xike","Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport","Journal of Materials Chemistry C","2019","7","9","2659","","10.1039/C8TC06273K","","","1.54178","CuKα","","0.0767","0.0704","","","0.1829","0.1886","","","","","","1.105","","","","has coordinates","237799","2020-10-21","18:00:00",""
"7237606","4.8296","0.0002","8.7435","0.0003","14.4477","0.0005","89.914","0.001","86.096","0.001","82.549","0.001","603.52","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hexyl-7-(2-phenylpropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","1","1","","Chen, Ming; Li, Jing; Jiao, Xuechen; Yang, Xiaochun; Wu, Wenting; McNeill, Christopher R.; Gao, Xike","Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport","Journal of Materials Chemistry C","2019","7","9","2659","","10.1039/C8TC06273K","","","1.54178","CuKα","","0.0541","0.0526","","","0.1536","0.1564","","","","","","1.072","","","","has coordinates,has disorder","237799","2020-10-21","18:00:00",""
"7237635","9.675","0.0003","10.7761","0.0004","12.886","0.0004","101.486","0.003","100.639","0.003","112.862","0.003","1160.97","0.08","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C46 H54 Cl4 N4 O6 -","- C46 H54 Cl4 N4 O6 -","- C46 H54 Cl4 N4 O6 -","1","1","","Owais, Ahmed; Djerdjev, Alex M.; Hook, James M.; Yuen, Alex; Rowlands, William; White, Nicholas G.; Neto, Chiara","Host‒guest interactions of catechol and 4-ethylcatechol with surface-immobilized blue-box molecules","Journal of Materials Chemistry A","2019","7","20","12713","","10.1039/C9TA00556K","","","1.54184","CuKα","","0.0721","0.0702","","0.2116","0.2062","0.2116","","","","","","0.9781","","","","has coordinates,has disorder","238454","2020-10-21","18:00:00",""
"7237725","8.274","0.005","11.58","0.005","15.717","0.005","71.769","0.005","77.947","0.005","72.105","0.005","1350.5","1.1","150","10","149.9","0.3","","","","","","","","6","P 1","P 1","1","","","","- C20 H64 Br14 N8 O10 Pb3 -","- C20 H64 Br14 N8 O10 Pb3 -","- C20 H64 Br14 N8 O10 Pb3 -","1","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0325","0.0306","","","0.0738","0.0745","","","","","","1.015","","","","has coordinates","238557","2020-10-21","18:00:00",""
"7237808","10.6849","0.0003","17.9849","0.0006","20.2503","0.0005","91.331","0.002","97.757","0.002","93.114","0.003","3848.3","0.19","291.9","0.4","291.9","0.4","","","","","","","","5","P 1","P 1","1","","","","- C22.33 H23 Cl2 N4 O4.33 -","- C22.3333 H23 Cl2 N4 O4.33333 -","- C134 H138 Cl12 N24 O26 -","6","6","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","1.54184","CuKα","","0.0533","0.0493","","","0.1334","0.1391","","","","","","1.034","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237977","6.6874","0.0003","8.4353","0.0003","13.3471","0.0007","86.724","0.004","89.892","0.004","66.719","0.004","690.3","0.06","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C9 H8 F3 P0.5 S6 -","- C9 H8 F3 P0.5 S6 -","- C18 H16 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0335","0.0331","","","0.0906","0.0912","","","","","","1.067","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237978","6.6574","0.0008","8.7901","0.0011","13.9791","0.0011","104.001","0.009","93.385","0.008","110.082","0.012","736.36","0.16","150","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H10 F3 P0.5 S6 -","- C10 H10 F3 P0.5 S6 -","- C20 H20 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0676","0.0565","","","0.1619","0.1977","","","","","","1.163","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237981","6.7396","0.0003","8.5079","0.0003","13.4369","0.0006","93.626","0.003","90.268","0.004","113.096","0.004","706.93","0.06","292.88","0.1","292.88","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","1","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0538","0.0519","","","0.1332","0.136","","","","","","1.099","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237982","6.6481","0.0003","8.7844","0.0005","13.9788","0.0005","103.905","0.004","93.412","0.004","109.901","0.005","736.13","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H10 F3 P0.5 S6 -","- C10 H10 F3 P0.5 S6 -","- C20 H20 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0511","0.0468","","","0.1161","0.1218","","","","","","1.05","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7238670","6.8767","0.0005","8.337","0.0007","11.2958","0.0009","89.913","0.004","75.058","0.003","89.886","0.004","625.7","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta- indaceneoxide","7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta-indaceneoxide","","- C12 H17 N O5 S -","- C11 H15 N O6 S -","- C22 H30 N2 O12 S2 -","2","2","","Mukherjee, Subhrangshu; Mandal, Sukhendu B.; Bhattacharjya, Anup","Carbohydrate nitrone and nitrile oxide cycloaddition approach to chiral sulfur heterocycles and nucleosides","RSC Advances","2012","2","24","8969","","10.1039/c2ra20689g","","","0.71073","MoKa","","0.0515","0.0494","","","0.1144","0.115","","","","","","2.6","","","","has coordinates","244280","2020-10-21","18:00:00",""
"7238728","8.3555","0.0005","11.4727","0.0006","21.3695","0.0012","92.113","0.004","97.85","0.004","91.027","0.004","2027.4","0.2","293","2","293","2","","","","","","","","2","P 1","P 1","1","","","","- C29 H22 -","- C29 H22 -","- C116 H88 -","4","4","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.113","0.0534","","","0.1026","0.1267","","","","","","1.001","","","","has coordinates","244318","2020-10-21","18:00:00",""
"7238794","10.0819","0.0018","10.9811","0.0019","14.025","0.003","68.984","0.005","76.417","0.005","79.993","0.005","1402","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H35 F24 N5 O7 P4 -","- C37 H35 F24 N5 O7 P4 -","- C37 H35 F24 N5 O7 P4 -","1","1","","Xi, Hai-Tao; Zhao, Ting; Sun, Xiao-Qiang; Miao, Chun-Bao; Zong, Ting; Meng, Qi","Rapid and efficient solvent-free synthesis of cyclophanes based on bipyridinium under mechanical ball milling","RSC Adv.","2013","3","3","691","","10.1039/C2RA22802E","","","0.71073","MoKα","","0.2429","0.1188","","","0.2914","0.3799","","","","","","1.047","","","","has coordinates","244355","2020-10-21","18:00:00",""
"7238944","9.2805","0.0001","12.9476","0.0002","16.1252","0.0002","99.392","0.001","91.714","0.001","90.912","0.001","1910.35","0.04","100","1","100","2","","","","","","","","4","P 1","P 1","1","","(3aS,9S,9aS)-10-methylene-12-[(R)-1-phenylethyl]-2,3,9,9a-tetrahydro-1H-3a,9- -(epiminoethano)cyclopenta[b]chromen-11-one","","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","1","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0257","0.0256","","","0.0741","0.0755","","","","","","1.045","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7238945","9.3543","0.0001","13.0737","0.0002","16.3819","0.0002","99.063","0.001","91.667","0.001","90.832","0.001","1977.21","0.04","291","1","291","2","","","","","","","","4","P 1","P 1","1","","(3aR,9R,9aR)-10-methylene-12-[(S)-1-phenylethyl]-2,3,9,9a-tetrahydro-1H-3a,9- -(epiminoethano)cyclopenta[b]chromen-11-one","","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","1","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0364","0.0362","","","0.107","0.1072","","","","","","1.056","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7239073","5.5927","0.001","9.9073","0.0017","11.448","0.002","113.882","0.004","91.874","0.004","99.063","0.004","569.49","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C22 H20 Br2 N6 O2 -","2","2","","Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang","Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors","RSC Advances","2013","3","24","9154","","10.1039/c3ra41640b","","","0.71073","MoKα","","0.0523","0.0355","","","0.0814","0.088","","","","","","0.947","","","","has coordinates,has disorder","244535","2020-10-21","18:00:00",""
"7239136","12.297","0.005","17.946","0.005","10.559","0.005","100.61","0.005","102.44","0.005","105.11","0.005","2124.3","1.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C88 H128 O16 -","- C88 H128 O16 -","- C88 H128 O16 -","1","1","","Ghirga, Francesca; D'Acquarica, Ilaria; Monache, Giuliano Delle; Toscano, Sara; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; Crocco, Domenico; Antiochia, Riccarda; Botta, Bruno","Undecenyl resorc[4]arene in the chair conformation as preorganized synthon for olefin metathesis","RSC Advances","2013","3","38","17567","","10.1039/c3ra42943a","","","1.54178","CuKα","","0.134","0.0639","","","0.143","0.1667","","","","","","1.04","","","","has coordinates","244568","2020-10-21","18:00:00",""
"7239223","13.9994","0.0006","14.0662","0.0006","15.3078","0.0007","108.714","0.004","107.27","0.004","96.152","0.003","2657.2","0.2","140","2","140","2","","","","","","","","6","P 1","P 1","1","","","","- C73 H78 F24 N7 O10 P4 -","- C73 H78 F24 N7 O10 P4 -","- C73 H78 F24 N7 O10 P4 -","1","1","","Li, Jinying; Wei, Peifa; Wu, Xiujuan; Xue, Min; Yan, Xuzhou; Zhou, Qizhong","Taco complex-templated dynamic clipping to cryptand-based [2]rotaxane- and [2]catenane-type mechanically interlocked structures","RSC Advances","2013","3","44","21289","","10.1039/c3ra43629b","","","1.54184","CuKα","","0.0783","0.0717","","","0.1983","0.2111","","","","","","1.061","","","","has coordinates","244606","2020-10-21","18:00:00",""
"7239384","12.401","0.005","13.345","0.005","13.37","0.005","62.968","0.004","89.294","0.005","70.227","0.004","1828.1","1.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H48 Co2 N16 O44 Si W12 -","- C48 H40 Co2 N16 O44 Si W12 -","- C48 H40 Co2 N16 O44 Si W12 -","1","1","","Yu, Tingting; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Li, Shaobin","Assembly of co-bimb-polyoxotungstate hybrids: from 1D chain to 3D framework influenced by the charge of Keggin anions","RSC Adv.","2014","4","5","2235","","10.1039/C3RA45456H","","","0.71069","MoKα","","0.0527","0.051","","","0.1344","0.1361","","","","","","1.047","","","","has coordinates","244674","2020-10-21","18:00:00",""
"7239511","9.11","0.0003","10.3806","0.0007","16.1429","0.001","82.065","0.013","77.497","0.009","82.299","0.013","1467.53","0.16","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H58 Cu4 N12 O16 -","- C58 H58 Cu4 N12 O16 -","- C58 H58 Cu4 N12 O16 -","1","1","","Bai, Songyan; Sheng, Tianlu; Tan, Chunhong; Zhu, Qilong; Huang, Yihui; Jiang, Hao; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Distinct anion sensing by a 2D self-assembled Cu(ι)-based metal‒organic polymer with versatile visual colorimetric responses and efficient selective separations via anion exchange","Journal of Materials Chemistry A","2013","1","9","2970","","10.1039/c3ta01580g","","","0.71073","MoKα","","0.0463","0.0378","","","0.0915","0.0969","","","","","","1.032","","","","has coordinates","244738","2020-10-21","18:00:00",""
"7239514","6.463","0.005","6.953","0.006","7.081","0.006","84.521","0.008","73.66","0.007","76.135","0.008","296.3","0.4","294","2","294","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H12 B K O12 Sr -","- C4 H12 B K O12 Sr -","- C4 H12 B K O12 Sr -","1","1","","Fan, Xiaoyun; Pan, Shilie; Guo, Jing; Hou, Xueling; Han, Jian; Zhang, Fangfang; Li, Feng; Poeppelmeier, Kenneth R.","New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)","Journal of Materials Chemistry A","2013","1","35","10389","","10.1039/c3ta10474e","","","0.71073","MoKα","","0.0266","0.0266","","","0.0674","0.0675","","","","","","1.035","","","","has coordinates","244740","2020-10-21","18:00:00",""
"7239515","6.4606","0.0011","7.0808","0.0012","7.1089","0.0012","84.753","0.002","77.266","0.002","73.183","0.002","303.51","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H12 B O12 Rb Sr -","- C4 H12 B O12 Rb Sr -","- C4 H12 B O12 Rb Sr -","1","1","","Fan, Xiaoyun; Pan, Shilie; Guo, Jing; Hou, Xueling; Han, Jian; Zhang, Fangfang; Li, Feng; Poeppelmeier, Kenneth R.","New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)","Journal of Materials Chemistry A","2013","1","35","10389","","10.1039/c3ta10474e","","","0.71073","MoKα","","0.0245","0.0231","","","0.0556","0.0563","","","","","","0.712","","","","has coordinates","244740","2020-10-21","18:00:00",""
"7239611","8.3748","0.0002","9.6561","0.0002","11.1482","0.0007","102.586","0.0007","100.651","0.0007","107.601","0.0007","807.64","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","2","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.68691","synchrotron","","0.016","0.016","","","0.044","0.0441","","","","","","1.026","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239613","8.8044","0.0016","9.7839","0.0017","11.882","0.002","97.226","0.002","104.52","0.002","115.868","0.003","858.5","0.3","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C36 H28 Br4 N4 O8 -","2","2","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0343","0.0285","","","0.0562","0.0597","","","","","","1.039","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239831","4.7849","0.0005","5.3125","0.0005","17.3017","0.0015","83.212","0.008","87.407","0.007","85.031","0.008","434.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","1","1","","Mattsson, Ida; Sitdikov, Ruzal; Gunell, Andreas C. M.; Lahtinen, Manu; Saloranta-Simell, Tiina; Leino, Reko","Improved synthesis and application of conjugation-amenable polyols from d-mannose","RSC Advances","2020","10","7","3960","3966","10.1039/C9RA10378C","","x-ray","1.54184","CuKα","","0.0437","0.0365","","","0.0882","0.0922","","","","","","1.055","","","","has coordinates,has disorder","258092","2020-10-21","18:00:00",""
"7240014","8.8566","0.0005","9.7807","0.0006","10.05","0.0006","68.906","0.001","84.726","0.001","87.008","0.001","808.62","0.08","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0355","0.0321","","","0.0965","0.1087","","","","","","1.152","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240015","9.0976","0.0006","9.225","0.0006","13.298","0.0009","76.768","0.002","80.206","0.002","62.475","0.001","960.76","0.11","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0367","0.0327","","","0.098","0.105","","","","","","1.11","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240058","7.1918","0.0014","8.757","0.0018","18.766","0.004","89.75","0.03","79.83","0.03","72.07","0.03","1105.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","2","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1152","0.0647","","","0.1511","0.1786","","","","","","1.023","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240060","8.3469","0.0017","12.268","0.003","20.595","0.004","84.66","0.03","86.58","0.03","76.63","0.03","2041.3","0.8","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C88 H96 N4 O24 -","- C88 H96 N4 O24 -","- C88 H96 N4 O24 -","1","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1012","0.0768","","","0.1977","0.2177","","","","","","1.019","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240200","9.0757","0.0003","11.0502","0.0004","11.7199","0.0005","103.378","0.003","105.493","0.003","104.407","0.003","1039.69","0.08","100","2","100","2","","","101.3","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","1","1","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0563","0.0429","","","0.1019","0.1071","","","","","","1.049","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240201","9.1429","0.0004","11.095","0.0005","11.6725","0.0005","103.187","0.004","105.203","0.004","104.668","0.004","1048.93","0.09","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0839","0.0515","","","0.1096","0.1252","","","","","","1.021","","","","has coordinates,has disorder","249721","2020-10-21","18:00:00",""
"7240202","9.4219","0.0006","11.2659","0.0006","11.5862","0.0006","107.504","0.004","100.89","0.005","104.746","0.005","1086.25","0.12","410","2","410","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.1755","0.0692","","","0.1515","0.2004","","","","","","1.01","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240225","6.5705","0.0013","9.2493","0.0018","17.129","0.003","92.82","0.03","99.52","0.03","110.25","0.03","956.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","2","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0489","0.0398","","","0.0918","0.0969","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240256","9.563","0.0006","12.5988","0.0007","25.0296","0.0014","81.062","0.003","88.375","0.003","88.956","0.003","2977.5","0.3","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H48 Cl N O -","- C33 H48 Cl N O -","- C132 H192 Cl4 N4 O4 -","4","4","","Xu, Biping; Shang, Yaping; Jie, Xiaoming; Zhang, Xiaofeng; Kan, Jian; Yedage, Subhash Laxman; Su, Weiping","Synthesis of α-enaminones from cyclic ketones and anilines using oxoammonium salt as an oxygen transfer reagent","Green Chemistry","2020","22","6","1827","1831","10.1039/C9GC03845K","","","0.71073","MoKα","","0.0679","0.0503","","","0.1271","0.1453","","","","","","1.076","","","","has coordinates","257599","2020-10-21","18:00:00",""
"7240257","10.97","0.004","12.408","0.004","12.818","0.004","101.383","0.004","111.028","0.004","108.089","0.004","1451.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0565","0.0517","","","0.1249","0.1356","","","","","","1.029","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240258","10.9871","0.0011","12.3354","0.0012","12.7954","0.0013","101.807","0.001","110.331","0.001","107.718","0.001","1452.5","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0591","0.0483","","","0.1304","0.1697","","","","","","1.1","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240319","4.7631","0.0002","8.8253","0.0004","10.662","0.0005","96.829","0.003","95.279","0.003","105.603","0.003","424.99","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","L-malic acid nicotinamide","(R)-2-hydroxysuccinic acid nicotinamide","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","1","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0516","0.037","","","0.0845","0.0919","","","","","","1.021","","","","has coordinates,has disorder","250831","2020-10-21","18:00:00",""
"7240321","5.304","0.0002","11.4994","0.0004","11.748","0.0005","80.398","0.003","81.767","0.003","82.135","0.003","694.52","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","(L)-phenyllactic acid nictonamide","(S)-2hyrdoxy-3-phenylpropionic acid nicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","2","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","1.54178","CuKα","","0.0689","0.0528","","","0.1276","0.1415","","","","","","1.071","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240379","16.2743","0.0014","23.885","0.002","23.974","0.002","100.808","0.003","95.617","0.003","91.227","0.003","9102.2","1.3","120","2","120.04","","","","","","","","","6","P 1","P 1","1","","","","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","1","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","","0.068","0.0671","","","0.1833","0.1842","","","","","","1.037","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240380","16.4104","0.001","22.5164","0.0013","24.1911","0.0016","82.942","0.002","70.254","0.002","82.498","0.002","8311.3","0.9","150","2","150","","","","","","","","","6","P 1","P 1","1","","","","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","1","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","","0.0427","0.042","","","0.1085","0.109","","","","","","1.033","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240536","7.897","0.0002","14.3744","0.0003","15.1386","0.0003","77.442","0.002","79.666","0.002","88.939","0.002","1649.76","0.07","300","0.1","300","0.1","","","","","","","","5","P 1","P 1","1","guanidinium ethoxysulfonate","guanidinium ethoxysulfonate","","- C3 H11 N3 O4 S -","- C3 H11 N3 O4 S -","- C24 H88 N24 O32 S8 -","8","8","","Szafrański, Marek; Jarek, Marcin","Thermodynamic pathway between the non-polar and ferroelectric polymorphs of guanidinium ethoxysulfonate","CrystEngComm","2020","","","","","10.1039/D0CE00565G","","","0.71073","MoKα","","0.0777","0.0618","","","0.1709","0.1914","","","","","","1.029","","","","has coordinates,has disorder","252070","2020-10-21","18:00:00",""
"7240604","7.597","0.003","9.73","0.004","37.763","0.014","84.846","0.009","86.089","0.008","88.219","0.009","2772.8","1.9","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C123 H210 O6 -","- C123 H210 O6 -","- C123 H210 O6 -","1","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","","0.0729","0.0461","","","0.0903","0.0964","","","","","","0.907","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240607","7.581","0.002","9.702","0.003","36.973","0.009","82.962","0.005","86.112","0.005","89.74","0.005","2692.7","1.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C121 H209 N O6 -","- C121 H209 N O6 -","- C121 H209 N O6 -","1","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","","0.1676","0.1056","","","0.1872","0.2302","","","","","","1.314","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240688","8.9903","0.0005","10.1684","0.0006","10.7191","0.0007","104.553","0.006","110.229","0.006","105.243","0.006","821.31","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C32 H44 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.089","0.0767","","","0.1904","0.2073","","","","","","0.956","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240691","9.1851","0.0003","9.3856","0.0002","9.6867","0.0003","68.2","0.002","89.701","0.002","86.138","0.002","773.41","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H24 N4 O3 -","- C13 H24 N4 O3 -","- C26 H48 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0627","0.0609","","","0.1724","0.175","","","","","","1.077","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240813","3.7755","0.00019","13.5798","0.0007","28.5543","0.0014","89.503","0.004","88.612","0.004","86.402","0.004","1460.64","0.13","295","1","295","1","","","","","","","","5","P 1","P 1","1","","2-Chloro-4-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","8","","Medviediev, Volodymyr; Shishkina, Svitlana V.; Ribalka, Andrii; Zaręba, Jan Kazimierz; Drozd, Marek; Daszkiewicz, Marek","Revisiting 2-chloro-4-nitroaniline: analysis of intricate supramolecular ordering of a triclinic polymorph featuring high Z value and strong second harmonic generation","CrystEngComm","2020","","","","","10.1039/D0CE00582G","","x-ray","0.71073","MoKα","","0.1238","0.0773","","","0.169","0.1877","","","","","","1.05","","","","has coordinates","253647","2020-10-21","18:00:00",""
"7240821","5.727","0.0007","9.4987","0.0012","10.431","0.0013","95.286","0.002","90.783","0.002","103.644","0.002","548.71","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","dicyclohexylammonium diphenylacetete","","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C26 H35 N O2 -","1","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0464","0.044","","","0.1161","0.1188","","","","","","0.952","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7241146","8.5574","0.0002","9.8938","0.0002","14.8351","0.0004","91.403","0.001","93.658","0.001","97.92","0.001","1240.8","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H52 F4 N4 O12 -","- C54 H52 F4 N4 O12 -","- C54 H52 F4 N4 O12 -","1","1","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.036","0.0327","","","0.089","0.0973","","","","","","1.09","","","","has coordinates","257620","2020-10-21","18:00:00",""
"7241250","9.13","0.0018","10.29","0.002","17.5","0.004","90.56","0.03","91.12","0.03","108.32","0.03","1560.2","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","0.71073","Synchrotron","","0.1136","0.0664","","","0.1598","0.1841","","","","","","1.024","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241251","10.98","0.0003","12.1273","0.0003","15.692","0.0004","73.885","0.002","80.363","0.002","84.052","0.002","1975.47","0.09","100","0.1","100","0.02","","","","","","","","6","P 1","P 1","1","","","","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.1024","0.088","","","0.2359","0.2544","","","","","","1.03","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241252","9.2097","0.0002","11.1836","0.0001","17.0964","0.0001","85.672","0.001","82.69","0.001","83.417","0.001","1731.75","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54178","CuKα","","0.0723","0.0685","","","0.1871","0.1913","","","","","","1.08","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241253","15.27","0.0002","15.7368","0.0001","17.1187","0.0002","88.158","0.001","75.094","0.001","86.414","0.001","3966.88","0.08","100","0.1","100","0.02","","","","","","","","5","P 1","P 1","1","","","","- C19 H16 Co0.5 N2 O3 -","- C19 H16 Co0.5 N2 O3 -","- C152 H128 Co4 N16 O24 -","8","8","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.0713","0.0659","","","0.1796","0.185","","","","","","1.047","","","","has coordinates","256485","2020-10-21","18:00:00",""
"7241421","8.8768","0.0017","8.8907","0.0018","9.3073","0.0018","87.751","0.003","68.299","0.002","82.837","0.003","677.1","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","1","1","","Li, Si-Jia; Huang, Jian; He, Jin-Yu; Zhang, Rui-Jin; Qian, Hao-Dong; Dai, Xue-Lin; Kong, Han-Han; Xu, Hao","Highly enantioselective copper-catalyzed propargylic amination to access N-tethered 1,6-enynes","RSC Advances","2020","10","63","38478","38483","10.1039/D0RA07698H","","","0.71073","MoKα","","0.0443","0.036","","","0.0894","0.093","","","","","","0.999","","","","has coordinates","258506","2020-10-21","04:06:08",""
"7241591","9.8518","0.0004","10.2278","0.0004","15.3791","0.0004","76.292","0.002","88.604","0.002","72.362","0.001","1432.83","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 F N2 O2 -","- C38 H33 F N2 O2 -","- C76 H66 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0325","0.0315","","","0.087","0.0879","","","","","","1.073","","","","has coordinates","261589","2021-02-04","22:56:00",""
"7241593","9.8313","0.0003","10.266","0.0003","15.7098","0.0005","101.103","0.001","92.295","0.001","106.83","0.001","1481.47","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H33 N3 O4 -","- C38 H33 N3 O4 -","- C76 H66 N6 O8 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.053","0.0471","","","0.1343","0.1403","","","","","","1.085","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241594","9.9188","0.0006","10.2275","0.0006","15.9392","0.0009","102.789","0.002","93.699","0.002","106.801","0.002","1495.16","0.15","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H32 Br F N2 O2 -","- C38 H32 Br F N2 O2 -","- C76 H64 Br2 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.0228","0.0222","","","0.0571","0.0576","","","","","","1.039","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241627","9.7054","0.0002","9.9914","0.0002","17.4974","0.0003","98.095","0.001","90.767","0.001","90.03","0.001","1679.67","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","4","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0472","0.0422","","","0.1124","0.1157","","","","","","1.054","","","","has coordinates","259346","2020-11-30","04:59:06",""
"7241922","9.6059","0.0001","15.3508","0.0001","19.727","0.0002","105.947","0.001","93.028","0.001","108.138","0.001","2627.33","0.05","160","0.1","160","0.1","","","","","","","","6","P 1","P 1","1","","","","- C31 H57 Cl N2 O7 S -","- C31 H57 Cl N2 O7 S -","- C93 H171 Cl3 N6 O21 S3 -","3","3","","Li, Shuyu; Wang, Ting; Huang, Xin; Zhou, Lina; Chen, Mingyu; Liu, Wanying; Zhang, Xiunan; Dong, Yuyuan; Hao, Hongxun","The role of water in the formation of crystal structures: a case study of valnemulin hydrochloride","CrystEngComm","2021","23","1","47","55","10.1039/D0CE01459A","","","1.54184","CuKα","","0.0807","0.0745","","","0.2107","0.2253","","","","","","1.039","","","","has coordinates,has disorder","261596","2021-02-04","22:57:12",""
"7242080","9.14","0.0004","9.3542","0.0004","10.6916","0.0005","104.278","0.002","90.57","0.002","91.63","0.002","885.37","0.07","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C38 H42 O9 -","- C38 H42 O9 -","- C38 H42 O9 -","1","1","","Li, Linwei; Huang, Jianan; Lyu, Hui; Guan, Fuqin; Li, Pirui; Tian, Mei; Xu, Shu; Zhao, Xingzeng; Liu, Fei; Paetz, Christian; Feng, Xu; Chen, Yu","Two lathyrane diterpenoid stereoisomers containing an unusual trans-gem-dimethylcyclopropane from the seeds of Euphorbia lathyris","RSC Advances","2021","11","5","3183","3189","10.1039/D0RA10724G","","","1.54178","CuKα","","0.0343","0.0336","","","0.0954","0.0963","","","","","","1.039","","","","has coordinates","260984","2021-01-15","05:12:00",""
"7242309","10.4718","0.0006","10.6341","0.0005","11.1086","0.0006","80.52","0.004","82.65","0.005","83.754","0.005","1205.24","0.11","293","","293","","","","","","","","","3","P 1","P 1","1","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C27 H26.5 O6.25 -","- C27 H26.5 O6.25 -","- C54 H53 O12.5 -","2","2","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0994","0.0802","","","0.2037","0.2485","","","","","","1.075","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242345","11.3843","0.0005","11.4267","0.0005","11.6597","0.0005","99.91","0.002","106.378","0.002","95.26","0.002","1417.63","0.11","296","2","296","2","","","","","","","","4","P 1","P 1","1","Nil","(2S,3aR,6S,7aR,8S)-2-(iodomethyl)-6,7,7-trimethylhexahydro-2H-3a,6-methanobenzofuran-8-ol","","- C13 H21 I O2 -","- C13 H21 I O2 -","- C52 H84 I4 O8 -","4","4","","Rao, H. Surya Prakash; Saha, Ahana; Vijjapu, Satish","Studies in the rearrangement reactions involving camphorquinone","RSC Advances","2021","11","13","7180","7186","10.1039/D0RA09839F","","","0.71073","MoKα","","0.065","0.0576","","","0.1656","0.1725","","","","","","1.08","","","","has coordinates","262464","2021-03-04","23:46:12",""
"7242370","4.7441","0.0004","9.5883","0.0009","12.077","0.0011","73.421","0.005","89.483","0.005","86.045","0.006","525.23","0.08","296","2","296","2","","","","","","","","7","P 1","P 1","1","","Ethyl 2-[5-(4-bromophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- 1,3-thiazole-4-carboxylate","","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","1","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0499","0.0346","","","0.0713","0.0766","","","","","","1.032","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242428","7.9854","0.0003","9.1752","0.0003","10.0446","0.0004","109.095","0.003","93.499","0.003","114.294","0.003","617.3","0.05","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0238","0.0225","","","0.0535","0.0547","","","","","","1.002","","","","has coordinates,has disorder","265970","2021-06-05","18:13:11",""
"7242429","9.4079","0.0002","10.1883","0.0003","23.8729","0.0006","91.19","0.002","93.989","0.002","111.582","0.002","2120","0.1","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0543","0.0478","","","0.1102","0.1162","","","","","","1","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242430","7.61976","0.00012","7.9651","0.00013","10.3658","0.0002","80.7473","0.0015","85.5354","0.0015","87.3833","0.0013","618.702","0.019","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0281","0.026","","","0.0615","0.0631","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242581","8.5565","0.0011","10.5456","0.0016","17.147","0.002","96.105","0.004","99.219","0.004","94.937","0.004","1510.2","0.3","170","2","170.02","","","","","","","","","5","P 1","P 1","1","remdesivir","","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","2","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","x-ray","1.34139","GaKα","","0.2598","0.1215","","","0.2953","0.3938","","","","","","0.996","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242803","6.8541","0.0005","10.2632","0.0007","14.0271","0.001","111.04","0.002","93.282","0.002","92.104","0.002","917.7","0.11","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","amp-cd-bpe","","- C22 H42 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","1","1","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0244","0.0243","","","0.066","0.066","","","","","","1.085","","","","has coordinates","267133","2021-07-05","17:13:45",""
"7243107","12.2116","0.0014","14.5632","0.0016","14.5319","0.0017","67.762","0.009","86.941","0.009","84.111","0.009","2379.2","0.5","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C86 H144 N18 O19 -","- C86 H144 N18 O19 -","- C86 H144 N18 O19 -","1","1","","Köhler, Linda; Hübler, Conrad; Seichter, Wilhelm; Mazik, Monika","Binding modes of methyl α-d-glucopyranoside to an artificial receptor in crystalline complexes","RSC Advances","2021","11","36","22221","22229","10.1039/D1RA03390E","","","0.71073","MoKα","","0.059","0.0536","","","0.1476","0.1553","","","","","","1.068","","","","has coordinates,has disorder","266674","2021-06-25","04:00:41",""
"7243395","10.9523","0.0003","11.63","0.0004","12.6749","0.0004","63.886","0.003","66.66","0.003","86.853","0.002","1316.98","0.09","99.99","0.1","99.99","0.1","","","","","","","","6","P 1","P 1","1","","","","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","1","1","","Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao","Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W)","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01592C","","x-ray","1.54184","CuKα","","0.0526","0.0465","","","0.1313","0.1362","","","","","","1.048","","","","has coordinates","268132","2021-08-19","00:45:11",""
"7243396","10.884","0.0003","11.6242","0.0003","12.7269","0.0003","64.679","0.002","68.734","0.002","88.596","0.002","1339.97","0.07","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C41 H72 K2 Mo N4 O17 -","- C41 H72 K2 Mo N4 O17 -","- C41 H72 K2 Mo N4 O17 -","1","1","","Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao","Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W)","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01592C","","x-ray","1.54184","CuKα","","0.0317","0.0315","","","0.0827","0.0829","","","","","","1.034","","","","has coordinates","268132","2021-08-19","00:45:11",""
"7243426","6.5187","0.0003","10.9299","0.0006","17.6311","0.0009","99.531","0.002","97.444","0.002","106.711","0.002","1165.47","0.1","100","","99.98","","","","","","","","","4","P 1","P 1","1","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","1","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","","0.054","0.0444","","","0.1041","0.1131","","","","","","1.05","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243431","6.7848","0.0003","10.6171","0.0005","15.4805","0.0008","98.689","0.002","97.586","0.002","108.323","0.002","1027.12","0.09","100","","100","","","","","","","","","5","P 1","P 1","1","","QN HCl 2H2O","","- C20 H29 Cl N2 O4 -","- C20 H29 Cl N2 O4 -","- C40 H58 Cl2 N4 O8 -","2","2","","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","","x-ray","1.54178","CuKα","","0.0816","0.0804","","","0.2147","0.2213","","","","","","1.099","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243485","10.396","0.002","15.111","0.003","25.494","0.005","83.247","0.004","81.556","0.004","89.475","0.004","3933.9","1.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","DIMEB valproic acid clathrate hydrate","heptakis(2,6-di-O-methyl)-beta-cyclodextrin 2-propylpentanoic acidhydrate (2:2:3.9)","","- C129 H237.8 O77.88 -","- C129 H226 O77.87 -","- C129 H226 O77.87 -","1","1","","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","","0.1494","0.1055","","","0.2904","0.3294","","","","","","1.186","","","","has coordinates","269670","2021-10-06","14:48:57",""
"7243741","9.702","0.005","10.763","0.005","11.435","0.005","75.894","0.006","84.943","0.007","69.928","0.008","1087.7","0.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","JLNU-91","","- C42 H43 Ag3 N6 O8 -","- C40 H31 Ag3 N6 O4 -","- C40 H31 Ag3 N6 O4 -","1","1","","Liu, Bo; Lv, Mengying; Jiang, Wei; Gao, Baihui; Li, Yuxin; Zhou, Shi; Wang, Dandan; Liu, Chunbo; Che, Guangbo","Self-photoreduced Ag0-doped Ag(i)–organic frameworks with efficient visible-light-driven photocatalytic performance","CrystEngComm","2021","23","42","7496","7501","10.1039/D1CE01133B","","","0.71073","MoKα","","0.0457","0.0421","","","0.1194","0.1225","","","","","","1.067","","","","has coordinates","270421","2021-11-06","19:50:19",""
"7243788","9.2214","0.0003","11.7385","0.0004","13.033","0.0004","72.325","0.003","75.768","0.003","86.988","0.003","1302.54","0.08","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C47 H60 Au2 B F7 N8 O5 S -","- C47 H60 Au2 B F7 N8 O5 S -","- C47 H60 Au2 B F7 N8 O5 S -","1","1","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes","RSC Advances","2021","11","54","34170","34173","10.1039/D1RA06581E","","","0.71073","MoKα","","0.0407","0.033","","","0.0623","0.0663","","","","","","1.023","","","","has coordinates,has disorder","270147","2021-10-29","02:27:10",""
"7243834","7.1986","0.0018","7.591","0.0018","28.718","0.007","84.702","0.017","89.324","0.018","80.32","0.02","1540.3","0.7","100","1","100","1","","","","","","","","4","P 1","P 1","1","","","","- C30 H49 N5 O4 -","- C30 H49 N5 O4 -","- C60 H98 N10 O8 -","2","2","","Polacchi, Luca; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Enhanced mechano-responsive fluorescence in polydiacetylene thin films through functionalization with tetrazine dyes: photopolymerization, energy transfer and AFM coupled to fluorescence microscopy studies","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03458H","","","1.54178","CuKα","","0.3944","0.1715","","","0.2919","0.395","","","","","","0.984","","","","has coordinates","270297","2021-11-04","01:59:59",""
"7244107","10.1902","0.0003","10.2138","0.0003","28.5888","0.0008","88.437","0.002","86.185","0.002","69.035","0.002","2772.38","0.14","193","2","192.99","","","","","","","","","5","P 1","P 1","1","","","","- C34 H24 B N S3 -","- C34 H24 B N S3 -","- C136 H96 B4 N4 S12 -","4","4","","Wang, Rui; Song, Kai; Wei, Caiyun; Hong, Wenjing; Zang, Yaping; Qu, Dahui; Li, Hongxiang","Substitution pattern controlled charge transport in BN-embedded aromatics-based single molecule junctions.","Physical chemistry chemical physics : PCCP","2022","24","4","2227","2233","10.1039/d1cp04671c","","","1.34139","GaKα","","0.0724","0.0571","","","0.1376","0.1525","","","","","","1.026","","","","has coordinates","272784","2022-02-04","20:04:05",""
"7244252","13.7446","0.0005","18.4533","0.0007","20.1499","0.0007","108.815","0.002","107.5","0.002","97.438","0.002","4466.2","0.3","293.02","","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1093","0.0783","","","0.1859","0.2063","","","","","","1.044","","","","has coordinates","272113","2022-01-18","23:35:57",""
"7244253","13.7311","0.0009","18.3631","0.0012","20.1893","0.0013","108.665","0.003","107.697","0.003","97.375","0.003","4448.8","0.5","293","2","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1123","0.0858","","","0.2019","0.2218","","","","","","1.013","","","","has coordinates,has disorder","272113","2022-01-18","23:35:58",""
"7244329","6.0976","0.0004","9.5728","0.0008","12.3463","0.001","99.389","0.007","90.433","0.006","89.796","0.007","710.99","0.1","243","1","243","1","","","","","","","","5","P 1","P 1","1","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C30 H34 N2 O6 S2 -","2","2","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1036","0.0532","","","0.1105","0.1234","","","","","","0.901","","","","has coordinates,has disorder","272442","2022-02-03","02:07:46",""
"7244488","14.494","0.0002","14.71417","0.00018","15.1622","0.0002","66.8505","0.0012","81.2416","0.0011","63.0184","0.0013","2648.26","0.07","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.0411","0.0405","","","0.1146","0.1155","","","","","","1.046","","","","has coordinates","273141","2022-02-24","02:12:30",""
"7244489","14.4591","0.0007","14.5057","0.0005","15.3163","0.0005","66.263","0.003","80.241","0.003","63.042","0.004","2620.8","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C116 H144 Cl2 O18 -","- C116 H144 Cl2 O18 -","- C116 H144 Cl2 O18 -","1","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.1033","0.0963","","","0.2531","0.2607","","","","","","1.043","","","","has coordinates,has disorder","273141","2022-02-24","02:12:30",""
"7244492","14.494","0.00019","14.6906","0.00018","15.1758","0.0002","66.8377","0.0012","81.2331","0.0011","63.0183","0.0013","2646.14","0.07","149.98","0.1","149.98","0.1","","","","","","","","3","P 1","P 1","1","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","x-ray","1.54184","CuKα","","0.0463","0.0452","","","0.1256","0.1268","","","","","","1.059","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244493","14.4791","0.0002","14.6694","0.0003","15.3429","0.0003","66.8561","0.0018","80.7799","0.0014","62.305","0.0016","2652.25","0.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C59 H77 N O8 -","- C59 H77 N O8 -","- C118 H154 N2 O16 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","x-ray","1.54184","CuKα","","0.0503","0.0482","","","0.1295","0.1321","","","","","","1.039","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244500","14.4846","0.0004","14.6777","0.0005","15.3743","0.0005","66.81","0.003","80.771","0.003","62.298","0.003","2659.08","0.17","293","2","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C118 H154 N2 O16 -","- C118 H154 N2 O16 -","- C118 H154 N2 O16 -","1","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.0701","0.067","","","0.1897","0.1943","","","","","","1.076","","","","has coordinates","273141","2022-02-24","02:12:32",""
"7244760","6.47","0.0004","7.6623","0.0005","9.8461","0.0006","78.562","0.001","79.556","0.001","70.392","0.002","447.19","0.05","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C20 H30 O4 -","1","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0305","0.0304","","","0.0799","0.08","","","","","","1.069","","","","has coordinates","274467","2022-04-12","01:39:14",""
"7244851","7.4947","0.0017","9.945","0.003","10","0.002","85.66","0.013","69.881","0.012","78.186","0.012","685","0.3","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 Au Cl3 N2 O -","- C10 H12 Au Cl3 N2 O -","- C20 H24 Au2 Cl6 N4 O2 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0668","0.0331","","","0.0578","0.0665","","","","","","0.867","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244852","7.3049","0.0004","7.9398","0.0004","14.1403","0.0008","91.892","0.002","101.92","0.003","99.075","0.002","790.57","0.07","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H11 Au Br3 N2 O2 -","- C10 H11 Au Br3 N2 O2 -","- C20 H22 Au2 Br6 N4 O4 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0391","0.025","","","0.043","0.0455","","","","","","0.958","","","","has coordinates","274646","2022-04-22","22:32:50",""
"7245086","4.7948","0.0002","10.5652","0.0005","12.8318","0.0006","83.206","0.002","81.269","0.002","87.894","0.002","637.87","0.05","294","2","294","2","","","","","","","","5","P 1","P 1","1","bispentafluor amide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide'","","- C13 H F10 N O -","- C13 H F10 N O -","- C26 H2 F20 N2 O2 -","2","2","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1015","0.0511","","","0.1218","0.1418","","","","","","1.039","","","","has coordinates","276136","2022-06-21","22:32:59",""
"7245267","12.1268","0.0002","13.029","0.0002","18.1703","0.0002","84.497","0.001","76.103","0.001","89.967","0.001","2773.28","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C68 H68 N8 O4 -","- C68 H68 N8 O4 -","- C136 H136 N16 O8 -","2","2","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","","1.54184","CuKα","","0.0525","0.0485","","","0.1436","0.1479","","","","","","1.092","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245296","7.7282","0.0007","9.9974","0.001","19.2246","0.0017","83.079","0.004","81.948","0.003","89.975","0.004","1459.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C64 H68 N4 O28 -","4","4","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0861","0.0573","","","0.111","0.1242","","","","","","1.022","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245324","8.1638","0.0004","15.558","0.003","16.203","0.003","68.67","0.01","88.608","0.008","87.047","0.008","1914.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H14 F6 P S6 -","- C12 H14 F6 P S6 -","- C48 H56 F24 P4 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","0.71073","MoKα","","0.0884","0.0491","","","0.102","0.1157","","","","","","1.016","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245325","7.6595","0.0001","14.5463","0.0002","22.7605","0.0003","95.079","0.001","99.545","0.001","90.995","0.001","2489.66","0.06","149.9","0.5","149.9","0.5","","","","","","","","5","P 1","P 1","1","","","","- C24 H14 F4 N4 S6 -","- C24 H14 F4 N4 S6 -","- C96 H56 F16 N16 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0477","0.046","","","0.1242","0.1285","","","","","","1.039","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245326","6.3369","0.0005","6.341","0.0005","6.5675","0.0006","85.841","0.007","73.143","0.007","89.946","0.006","251.84","0.04","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","1","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","x-ray","0.71073","MoKα","","0.0406","0.0393","","","0.1027","0.104","","","","","","1.075","","","","has coordinates","277263","2022-08-16","22:29:33",""
"7245351","7.6341","0.0004","7.7048","0.0004","9.5687","0.0004","95.38","0.002","108.445","0.002","110.266","0.002","487.61","0.04","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C20 H12 Cu F3 N3 O5 S -","- C20 H12 Cu F3 N3 O5 S -","- C20 H12 Cu F3 N3 O5 S -","1","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.022","0.0211","","","0.0494","0.0498","","","","","","1.057","","","","has coordinates","277301","2022-08-18","01:13:34",""
"7245369","11.3588","0.0006","11.5129","0.0006","34.8748","0.0017","92.184","0.002","93.977","0.002","106.355","0.002","4357.7","0.4","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","1","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.061","0.0458","","","0.1029","0.1125","","","","","","1.015","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245516","10.0234","0.0008","11.1948","0.0009","13.8853","0.0011","112.863","0.003","91.382","0.003","111.73","0.003","1307.71","0.19","300","2","300","2","","","","","","","","6","P 1","P 1","1","","3","","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","1","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0364","0.0354","","","0.0628","0.0634","","","","","","1.136","","","","has coordinates","278013","2022-09-20","22:33:53",""
"7246014","6.8727","0.0009","7.4757","0.001","10.7012","0.0013","75.161","0.012","88.164","0.011","77.878","0.012","519.48","0.12","293","","293","","","","","","","","","5","P 1","P 1","1","","1","","- C20 H19 I O6 S -","- C20 H19 I O6 S -","- C20 H19 I O6 S -","1","1","","Peng, Chuxiong; Gu, Fengyan; Lin, Xiaofeng; Ding, Ning; Zhan, Qichen; Cao, Peng; Cao, Tao","Highly selective catalyst- and additive-free iodosulfonylation of cyclopropenes in water","Green Chemistry","2023","25","2","671","677","10.1039/D2GC04296G","","x-ray","1.54184","CuKα","","0.1093","0.0875","","","0.212","0.2652","","","","","","1.056","","","","has coordinates","281476","2023-03-04","18:24:43",""
"7246089","8.4948","0.0008","8.8675","0.0008","9.1411","0.0009","62.811","0.002","72.947","0.002","87.063","0.002","582.78","0.1","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","1","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0149","0.0149","","","0.0406","0.0406","","","","","","1.09","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246201","9.2836","0.0007","10.9381","0.0007","13.6479","0.001","98.031","0.006","98.938","0.006","90.963","0.006","1354.57","0.17","100","1","100","1","","","","","","","","6","P 1","P 1","1","","","","- C28 H27 F6 N3 O S -","- C28 H27 F6 N3 O S -","- C56 H54 F12 N6 O2 S2 -","2","2","","Nomura, Miku; Begum, Zubeda; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Tokiwa, Suguru; Takeshita, Mitsuhiro; Nakano, Hiroto","Thiourea fused γ-amino alcohol organocatalysts for asymmetric Mannich reaction of β-keto active methylene compounds with imines","RSC Advances","2023","13","6","3715","3722","10.1039/D2RA08317E","","","1.54178","CuKα","","0.1264","0.0826","","","0.1954","0.2257","","","","","","0.998","","","","has coordinates","280630","2023-01-27","02:12:36",""
"7246557","10.1046","0.0004","10.418","0.0003","10.9661","0.0004","97.31","0.0013","99.4725","0.0013","107.454","0.0012","1066.93","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","Chlorofurancembranoid B","","- C20 H35 Cl O4 -","- C20 H35 Cl O4 -","- C40 H70 Cl2 O8 -","2","2","","Tseng, Hsuan-Jung; Kuo, Liang-Mou; Tsai, Yu-Chi; Hu, Hao-Chun; Chen, Po-Jen; Chien, Su-Ying; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sinulariaone A: a novel diterpenoid with a 13-membered carbocyclic skeleton from an octocoral Sinularia species","RSC Advances","2023","13","15","10408","10413","10.1039/D3RA01589K","","","0.71073","MoKα","","0.0946","0.0561","","","0.1188","0.1511","","","","","","1.086","","","","has coordinates","282234","2023-04-04","01:25:27",""
"7246926","9.867","0.0005","12.0062","0.0007","13.1276","0.0006","115.459","0.005","93.033","0.004","91.808","0.004","1399.63","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0398","0.0378","","","0.1062","0.1086","","","","","","1.063","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246927","9.8663","0.0003","11.9838","0.0006","13.1236","0.0005","115.559","0.004","93.042","0.003","91.661","0.003","1395.54","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0346","0.0323","","","0.0934","0.097","","","","","","1.039","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246979","9.475","0.002","11.269","0.002","17.688","0.004","81.39","0.03","79.74","0.03","78.24","0.03","1806.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H43 F1.5 N5 Na0.5 O13 -","- C30 H37 F1.5 N5 Na0.5 O13 -","- C60 H74 F3 N10 Na O26 -","2","2","","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","","","0.62","Synchrotron","","0.1253","0.0856","","","0.2237","0.2516","","","","","","1.007","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7247226","10.101","0.005","14.304","0.007","15.831","0.008","97.26","0.03","96.87","0.03","109.19","0.03","2111","1.9","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C H Cl N Ni O -","- C4.1 H4 Cl0.1 N0.6 Ni0.1 O0.7 -","- C82 H80 Cl2 N12 Ni2 O14 -","20","20","","Ajaykamal, Tamilarasan; Palaniandavar, Mallayan","Mononuclear nickel(ii)–flavonolate complexes of tetradentate tripodal 4N ligands as structural and functional models for quercetin 2,4-dioxygenase: structures, spectra, redox and dioxygenase activity","RSC Advances","2023","13","35","24674","24690","10.1039/D3RA04834A","","","0.71073","MoKα","","0.2917","0.142","","","0.3222","0.3963","","","","","","1.181","","","","has coordinates","285819","2023-08-19","01:07:15",""
"7247501","11.5209","0.0005","11.6461","0.0005","28.3488","0.0012","90.306","0.002","91.906","0.002","101.613","0.002","3723.5","0.3","223.15","","223.15","","","","","","","","","4","P 1","P 1","1","","","","- C48 H36 O2 Si2 -","- C48 H36 O2 Si2 -","- C192 H144 O8 Si8 -","4","4","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","","1.54178","CuKα","","0.0636","0.0609","","","0.1655","0.1751","","","","","","1.0498","","","","has coordinates","287420","2023-11-06","08:28:03",""
"7247712","7.5563","0.0002","8.3022","0.0002","20.6593","0.0005","83.732","0.002","82.528","0.002","89.714","0.002","1277.3","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tiaconazole-L-tartrate-L-tartaric acid (2:2:1)salt cocrystal","","","- C22 H22 Cl3 N2 O10 S -","- C22 H22 Cl3 N2 O10 S -","- C44 H44 Cl6 N4 O20 S2 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0568","0.0532","","","0.1376","0.1402","","","","","","1.043","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247720","10.5568","0.0003","10.9083","0.0003","20.8988","0.0004","86.078","0.002","77.368","0.002","66.24","0.003","2148.81","0.11","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tioconzaole sulfate (2:1) salt heptahydrate","","","- C32 H42 Cl6 N4 O13 S3 -","- C32 H42 Cl6 N4 O13 S3 -","- C64 H84 Cl12 N8 O26 S6 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0773","0.0677","","","0.1937","0.206","","","","","","1.069","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247823","6.7824","0.0006","13.8721","0.0012","15.7504","0.0014","68.453","0.003","89.86","0.003","80.963","0.003","1358.8","0.2","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.1054","0.0644","","","0.155","0.178","","","","","","1.018","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247824","6.9314","0.001","13.624","0.002","15.739","0.002","115.138","0.004","93.184","0.004","96.631","0.005","1327.4","0.3","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","x-ray","0.71073","MoKα","","0.1442","0.0821","","","0.1723","0.2002","","","","","","1.019","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247923","9.9684","0.0011","10.4769","0.0012","11.0045","0.0012","89.147","0.004","87.966","0.004","62.592","0.004","1019.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H10 N3 O6 Tc -","- C6 H10 N3 O6 Tc -","- C24 H40 N12 O24 Tc4 -","4","4","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.1041","0.0743","","","0.1584","0.1786","","","","","","1.031","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247942","9.4424","0.0004","9.8919","0.0004","12.937","0.0006","80.097","0.004","80.867","0.004","84.776","0.004","1172.74","0.09","100","","100","","","","","","","","synthesis","6","P 1","P 1","1","","Phe(4cf3)_ASC","","- C43 H53 F3 N8 O7 S2 -","- C43 H53 F3 N8 O7 S2 -","- C43 H53 F3 N8 O7 S2 -","1","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.1541","0.1268","","","0.355","0.3792","","","","","","1.5","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247943","9.3885","0.0001","10.0778","0.0002","13.0183","0.0002","82.659","0.001","86.078","0.001","80.131","0.001","1202.19","0.03","100","","100","","","","","","","","synthesis","5","P 1","P 1","1","","Phe(tbu)_ASC","","- C45 H63 N9 O7 S2 -","- C45 H63 N9 O7 S2 -","- C45 H63 N9 O7 S2 -","1","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0478","0.0462","","","0.1315","0.1343","","","","","","1.047","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247946","10.2257","0.0009","14.332","0.0016","14.3731","0.0014","106.76","0.004","110.599","0.004","105.352","0.004","1723.2","0.3","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C20 H52.78 Cr2 Cu4 Mo12 N12 O61.39 -","- C20 H50.8 Cr2 Cu4 Mo12 N12 O61.4 -","- C20 H50.8 Cr2 Cu4 Mo12 N12 O61.4 -","1","1","","Tan, Hong-Ru; Zhou, Xiang; Gong, Tengfei; You, Hanqi; Zheng, Qi; Zhao, Sheng-Yin; Xuan, Weimin","Anderson-type polyoxometalate-based metal–organic framework as an efficient heterogeneous catalyst for selective oxidation of benzylic C–H bonds","RSC Advances","2024","14","1","364","372","10.1039/D3RA07120K","","x-ray","0.71073","MoKα","","0.0587","0.0506","","","0.1169","0.1251","","","","","","1.026","","","","has coordinates,has disorder","288630","2024-01-03","02:38:15",""
"7247955","5.024","0.0001","8.6623","0.0003","14.2346","0.0009","96.682","0.004","95.901","0.004","106.738","0.003","583.12","0.05","294.15","","294.15","","","","","","","","","4","P 1","P 1","1","","","","- C16 H30 N6 O8 -","- C16 H30 N6 O8 -","- C16 H30 N6 O8 -","1","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0826","0.0771","","","0.2056","0.2189","","","","","","1.084","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7248017","5.8953","0.0002","7.8109","0.0002","8.5294","0.0002","71.666","0.001","86.269","0.001","86.169","0.001","371.586","0.018","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C12 H23 N O6 -","- C12 H23 N O6 -","- C12 H23 N O6 -","1","1","","Ge, Shuwang; Fu, Mingwei; Gu, Dihai; Wei, Lai; Qian, Kun; Rui, Qi; Ma, Yan; Li, Liang; Wang, Huaiqiu; Li, Lingchao; Ge, Min; Wang, Yihong","Design and process study of chiral separation of (2S,4S)-1-(tert-butoxy carbonyl)-4-(methoxymethyl) pyrrolidine-2-carboxylic acid for green manufacturing","Green Chemistry","2024","26","5","2673","2683","10.1039/D3GC04435A","","","1.54178","CuKα","","0.0244","0.0243","","","0.0619","0.0619","","","","","","1.089","","","","has coordinates","290997","2024-04-04","23:54:14",""
"7248078","5.4476","0.0004","9.339","0.0008","15.3977","0.0012","75.371","0.003","87.564","0.002","85.468","0.003","755.39","0.1","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","2","","Wu, Jilai; Zhou, Likai; Xie, Song; Wei, Chao; Li, Xiaoliu; Chen, Hua","Synthesis of 3-arylamino-2-polyhydroxyalkyl-substituted indoles from unprotected saccharides and anilines","Green Chemistry","2024","26","4","1883","1888","10.1039/D3GC04440H","","","0.71073","MoKα","","0.08","0.0546","","","0.112","0.1295","","","","","","1.061","","","","has coordinates","290219","2024-03-04","20:32:01",""
"7248211","10.9035","0.0004","16.1895","0.0006","24.4187","0.0017","102.495","0.005","95.298","0.004","105.416","0.003","4005.2","0.4","291.7","0.6","291.7","0.6","","","","","","","","4","P 1","P 1","1","","","","- C216 H144 N12 O12 -","- C216 H144 N12 O12 -","- C216 H144 N12 O12 -","1","1","","Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan","Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives","RSC Advances","2024","14","10","6494","6500","10.1039/D3RA08969J","","x-ray","1.54184","CuKα","","0.1625","0.1377","","","0.3838","0.4112","","","","","","1.384","","","","has coordinates","289927","2024-02-22","02:35:27",""
"7248553","6.5102","0.0002","7.1433","0.0002","9.9181","0.0002","95.079","0.002","90.432","0.002","97.825","0.002","455.06","0.02","119.99","0.1","119.99","0.1","","","","","","","","4","P 1","P 1","1","","Dimethyl aminoterephthalate, 1,2,4,5-tetracyanobenzene","","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","1","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering","CrystEngComm","2024","","","","","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0459","0.0386","","","0.0929","0.0983","","","","","","1.051","","","","has coordinates,has disorder","291409","2024-04-29","22:40:09",""
"7700116","10.5507","0.0007","12.48","0.0009","21.6816","0.0014","100.391","0.005","97.054","0.005","113.523","0.005","2513.9","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C56 H54 Cu2 O6 P4 -","- C56 H54 Cu2 O6 P4 -","- C112 H108 Cu4 O12 P8 -","2","2","","Bassoli, Simona; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Phosphorescence enhancement by close metal-metal interaction in T<sub>1</sub> excited state in a dinuclear copper(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9276","9283","10.1039/c9dt01565e","","","0.71073","MoKα","","0.0756","0.0603","","","0.158","0.1698","","","","","","0.969","","","","has coordinates,has disorder","224209","2020-10-21","18:00:00",""
"7700255","6.7875","0.0006","7.4323","0.0007","9.6959","0.0008","85.473","0.005","69.797","0.004","84.779","0.005","456.54","0.07","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H15 N O8 -","- C21 H15 N O8 -","- C21 H15 N O8 -","1","1","","Li, Li; Hua, Yang; Li, Xiao-Nan; Guo, Yu; Zhang, Hong","Reunderstanding the photoinduced charge transfer process of ammonium polyoxomolybdate.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10683","10688","10.1039/c9dt02106j","","","0.71073","MoKα","","0.0604","0.0435","","","0.105","0.1162","","","","","","1.024","","","","has coordinates","223767","2020-10-21","18:00:00",""
"7700507","10.7521","0.0004","11.9322","0.0006","14.3164","0.0007","106.321","0.002","97.244","0.002","106.744","0.002","1644.59","0.14","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C59 H64 Cl Co2 N8 O10 -","- C59 H64 Cl Co2 N8 O10 -","- C59 H64 Cl Co2 N8 O10 -","1","1","","Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12239","12249","10.1039/c9dt02174d","","","0.71073","MoKα","","0.0396","0.033","","","0.0883","0.0938","","","","","","0.774","","","","has coordinates","223926","2020-10-21","18:00:00",""
"7700855","13.5226","0.0007","14.602","0.0007","14.9635","0.0006","95.196","0.001","115.07","0.001","104.09","0.002","2531.9","0.2","173","2","173.15","","","","","","","","","7","P 1","P 1","1","","","","- C51 H47 Cl7 N2 O2 P2 Ru -","- C51 H47 Cl7 N2 O2 P2 Ru -","- C102 H94 Cl14 N4 O4 P4 Ru2 -","2","2","","Deng, Danfeng; Hu, Bowen; Yang, Min; Chen, Dafa","Unusual C-O bond cleavage of aromatic ethers in ruthenium complexes bearing a 2-alkoxypyridyl fragment.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13614","13621","10.1039/c9dt03020d","","","0.71073","MoKα","","0.0624","0.0478","","","0.1107","0.1199","","","","","","1.027","","","","has coordinates","224470","2020-10-21","18:00:00",""
"7700928","11.8586","0.0006","12.414","0.0006","12.6961","0.0006","60.817","0.002","83.284","0.002","73.222","0.002","1561.69","0.14","100","2","100","2","","","","","","","synthetical product","7","P 1","P 1","1","tris(acetonitrile)-(2,2',2''-ethane-1,1,1-triyltripyridinato)iron(II)bis(trifluoromethanesulfonate) acetonitrile solvate (2:1)","tris(acetonitrile)-(2,2',2''-ethane-1,1,1-triyltripyridinato)iron(II)bis(trifluoromethanesulfonate) acetonitrile solvate (2:1)","","- C52 H51 F12 Fe2 N13 O12 S4 -","- C52 H51 F12 Fe2 N13 O12 S4 -","- C52 H51 F12 Fe2 N13 O12 S4 -","1","1","","Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Mösch-Zanetti, Nadia C; Belaj, Ferdinand; Mayilmurugan, Ramasamy","Bioinspired models for an unusual 3-histidine motif of diketone dioxygenase enzyme.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14326","14336","10.1039/c9dt02518a","","","0.71073","MoKα","","0.0417","0.04","","","0.1117","0.1129","","","","","","1.045","","","","has coordinates,has disorder","224555","2020-10-21","18:00:00",""
"7700989","6.1247","0.0001","22.0786","0.0002","22.7088","0.0002","117.896","0.001","90.672","0.001","92.124","0.001","2710.63","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C57 H85 I3 O3 -","- C57 H85 I3 O3 -","- C114 H170 I6 O6 -","2","2","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","x-ray","1.54178","CuKα","","0.0457","0.0447","","","0.1205","0.1214","","","","","","1.055","","","","has coordinates","224045","2020-10-21","18:00:00",""
"7701377","13.1618","0.0008","15.6344","0.0009","15.6527","0.0009","83.7474","0.0007","65.3474","0.0007","65.8734","0.0006","2664.3","0.3","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C29 H15 Ag3 F18 N6 S -","- C29 H15 Ag3 F18 N6 S -","- C87 H45 Ag9 F54 N18 S3 -","3","3","","Liu, Rongrong; Zhang, Wen-Hua; Wei, Donghui; Chen, Jing-Huo; Yang, Guang","Adducts of Triangular Silver(I) 3,5-Bis(trifluoromethyl)pyrazolate with Thiophene-Derivatives: A Weak Interaction Model of Desulfurization","Dalton Transactions","2019","","","","","10.1039/C9DT03344K","","","0.71073","MoKα","","0.0476","0.0443","","","0.107","0.1088","","","","","","1.056","","","","has coordinates,has disorder","219378","2020-10-21","18:00:00",""
"7701906","11.48","0.002","12.28","0.003","15.587","0.003","109.54","0.03","100.03","0.03","100.6","0.03","1968.5","0.9","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H69 Mo12 N6 O52 P -","- C47 H69 Mo12 N6 O52 P -","- C47 H69 Mo12 N6 O52 P -","1","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0415","0.0412","","","0.091","0.0926","","","","","","1.136","","","","has coordinates","227808","2020-10-21","18:00:00",""
"7701961","9.874","0.0004","13.5904","0.0005","14.8719","0.0006","62.868","0.004","73.368","0.003","78.772","0.003","1696.94","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Cu N2 O2 -","- C36 H52 Cu N2 O2 -","- C72 H104 Cu2 N4 O4 -","2","2","","Sampani, Stavroula I.; Zdorichenko, Victor; Danopoulou, Marianna; Leech, Matthew C.; Lam, Kevin; Abdul-Sada, Alaa; Cox, Brian; Tizzard, Graham J.; Coles, Simon J.; Tsipis, Athanassios; Kostakis, George E.","Shedding light on the use of Cu(ii)-salen complexes in the A<sup>3</sup> coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","289","299","10.1039/c9dt04146j","","x-ray","0.71075","MoKα","K-L~3~","0.1108","0.0655","","","0.1097","0.1276","","","","","","1.014","","","","has coordinates","247731","2020-10-21","18:00:00",""
"7701962","9.8853","0.0002","13.5954","0.0003","14.878","0.0002","62.868","0.002","73.374","0.002","78.798","0.002","1700.32","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Cu N2 O2 -","- C36 H52 Cu N2 O2 -","- C72 H104 Cu2 N4 O4 -","2","2","","Sampani, Stavroula I.; Zdorichenko, Victor; Danopoulou, Marianna; Leech, Matthew C.; Lam, Kevin; Abdul-Sada, Alaa; Cox, Brian; Tizzard, Graham J.; Coles, Simon J.; Tsipis, Athanassios; Kostakis, George E.","Shedding light on the use of Cu(ii)-salen complexes in the A<sup>3</sup> coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","289","299","10.1039/c9dt04146j","","x-ray","1.54184","CuKα","","0.0687","0.0645","","","0.1669","0.1711","","","","","","1.008","","","","has coordinates","247731","2020-10-21","18:00:00",""
"7702107","6.7898","0.0003","6.9745","0.0003","7.2523","0.0004","108.917","0.004","99.404","0.004","113.677","0.004","279.93","0.03","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H10 Cl3 Nb O S2 -","- C4 H10 Cl3 Nb O S2 -","- C4 H10 Cl3 Nb O S2 -","1","1","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0266","0.0252","","","0.0624","0.0628","","","","","","1.072","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702274","10.1778","0.0002","15.1347","0.0003","30.2402","0.0007","90.93","0.002","94.117","0.002","99.725","0.002","4577.45","0.17","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H123 Cd11 Fe12 K5 O174 Sb18 -","- C72 H40 Cd11 Fe12 K5 O174 Sb18 -","- C72 H40 Cd11 Fe12 K5 O174 Sb18 -","1","1","","Ma, Wen; Hu, Bing; Jing, Kaiqiang; Li, Zhong; Jin, Jiance; Zheng, Shoutian; Huang, Xiaoying","Proton-conducting layered structures based on transition metal oxo-clusters supported by Sb(iii) tartrate scaffolds.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3849","3855","10.1039/c9dt04333k","","","0.71073","MoKα","","0.0662","0.0522","","","0.1032","0.111","","","","","","1.082","","","","has coordinates,has disorder","250322","2020-10-21","18:00:00",""
"7702337","8.9298","0.0008","9.9353","0.0009","10.1319","0.0007","85.907","0.01","65.122","0.008","81.738","0.009","806.97","0.13","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H44 Fe N15 Ni2 O5 -","- C18 H40 Fe N15 Ni2 O5 -","- C18 H40 Fe N15 Ni2 O5 -","1","1","","Kou, Hui-Zhong; Bu, Wei-Ming; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Fan, Yu-Guo; Wang, Geng-Lin","Magnetic characteristics of two two-dimensional bimetallic assemblies, [Ni(diamine)2]2[Fe(CN)6]NO3·nH2O (diamine = 1,3-diaminopropane, n = 2; ethylenediamine, n = 3), with a square molecular structure","Journal of the Chemical Society, Dalton Transactions","1998","","24","4161","","10.1039/a805470c","","","0.71073","MoKα","","0.0527","0.0466","","0.0612","0.053","","","","1.018","1.068","1.068","","","","","has coordinates","243829","2020-10-21","18:00:00",""
"7702571","10.0085","0.0002","10.8522","0.0002","11.2929","0.0002","63.9019","0.0008","87.6411","0.0007","68.9612","0.0008","1018.06","0.03","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C44 H48 Cl O2 Si2 Ta -","- C44 H48 Cl O2 Si2 Ta -","- C44 H48 Cl O2 Si2 Ta -","1","1","","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","","","0.042","","","","0.108","","","","","","1.022","","","","has coordinates","243909","2020-10-21","18:00:00",""
"7702723","9.9574","0.0001","10.2575","0.0001","10.8125","0.0001","113.782","0.001","109.177","0.001","90.819","0.001","940.65","0.02","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H66 Cl O P2 Rh -","- C37 H66 Cl O P2 Rh -","- C37 H66 Cl O P2 Rh -","1","1","","Clarke, Matthew L.; Holliday, Gemma L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Highly electron rich alkyl- and dialkyl-N-pyrrolidinyl phosphines: an evaluation of their electronic and structural properties","Journal of the Chemical Society, Dalton Transactions","2002","","6","1093","","10.1039/b108467d","","","0.71073","MoKα","","0.0305","0.025","","","0.0582","0.0605","","","","","","1.017","","","","has coordinates","243988","2020-10-21","18:00:00",""
"7702815","9.6973","0.0015","15.045","0.003","21.616","0.003","83.799","0.013","83.044","0.013","73.291","0.013","2989.4","0.9","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 N2 O6 Pd2 -","- C28 H34 N2 O6 Pd2 -","- C112 H136 N8 O24 Pd8 -","4","4","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Synthesis and structure of [2-{4(S)-isopropyl-2-oxazolinyl}phenyl]trimethyl tin and its reactivity as a carbometallating agent","Journal of the Chemical Society, Dalton Transactions","2002","","16","3260","","10.1039/b202405e","","","0.71073","MoKα","","0.086","0.0682","","","0.166","0.1801","","","","","","1.037","","","","has coordinates","244024","2020-10-21","18:00:00",""
"7702821","9.173","0.0003","10.6674","0.0004","13.3392","0.0005","80.497","0.002","79.141","0.002","75.696","0.002","1232.48","0.08","150","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H42 F3 Fe N8 O3 S -","- C60 H42 F3 Fe N8 O4 S -","- C60 H42 F3 Fe N8 O4 S -","1","1","","Simonneaux, G??rard; Kobeissi, Marwan; Toupet, Lo??c","Electronic structure of low-spin ferric chlorins: characterization of bis(1-methylimidazole)(meso-tetraphenylchlorinato)iron(iii) triflate","Journal of the Chemical Society, Dalton Transactions","2002","","21","4011","","10.1039/b204006a","","","0.71069","MoKα","","0.0726","0.0687","","","0.1884","0.1945","","","","","","1.059","","","","has coordinates","244029","2020-10-21","18:00:00",""
"7702822","13.052","0.004","13.725","0.003","9.929","0.003","110.34","0.02","100.73","0.02","109.62","0.02","1475.7","0.8","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H54 Cl6 N6 O42 Sm2 -","- C30 H54 Cl6 N6 O42 Sm2 -","- C30 H54 Cl6 N6 O42 Sm2 -","1","1","","Torres, Julia; Kremer, Carlos; Kremer, Eduardo; Pardo, Helena; Suescun, Leopoldo; Mombrú, Álvaro; Domínguez, Sixto; Mederos, Alfredo; Herbst-Irmer, Regine; Arrieta, Juan M.","Sm(iii) Complexation with amino acids. Crystal structures of [Sm2(Pro)6(H2O)6](ClO4)6and [Sm(Asp)(H2O)4]Cl2","J. Chem. Soc., Dalton Trans.","2002","","21","4035","","10.1039/B204095F","","","0.71069","MoKα","","0.0555","0.0489","","","0.1285","0.1353","","","","","","1.024","","","","has coordinates","244030","2020-10-21","18:00:00",""
"7703372","6.7317","0.0003","6.9581","0.0003","7.1904","0.0003","108.981","0.004","98.845","0.004","114.33","0.004","273.54","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C4 H10 Cl3 O S2 W -","- C4 H10 Cl3 O S2 W -","- C4 H10 Cl3 O S2 W -","1","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.046","0.0452","","","0.1039","0.1045","","","","","","1.041","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703587","10.5688","0.0002","15.8075","0.0003","16.1811","0.0004","106.128","0.008","99.779","0.007","104.476","0.007","2429.8","0.2","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C34 H52 Au2 N2 Ni O11 P2 S2 -","- C34 H38 Au2 N2 Ni O4 P2 S2 -","- C68 H76 Au4 N4 Ni2 O8 P4 S4 -","2","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1219","0.0785","","","0.1672","0.1862","","","","","","1.003","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703588","10.3527","0.0008","15.3022","0.0013","15.8338","0.0013","104.376","0.007","101.422","0.007","102.993","0.007","2280.4","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C34 H52 Au2 N2 O11 P2 S2 Zn -","- C34 H38 Au2 N2 O4 P2 S2 Zn -","- C68 H76 Au4 N4 O8 P4 S4 Zn2 -","2","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.4117","synchrotron","","0.1612","0.1183","","","0.2869","0.3162","","","","","","0.985","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703987","10.1515","0.0003","13.6106","0.0004","22.1971","0.0009","85.732","0.003","84.872","0.003","85.986","0.002","3039.98","0.18","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C96 H112 Br8 Cl8 Cu8 N8 O20 S8 -","- C96 H112 Br8 Cl8 Cu8 N8 O20 S8 -","- C96 H112 Br8 Cl8 Cu8 N8 O20 S8 -","1","1","","Zhang, Pei-Lu; Hou, Xiao-Xiao; Liu, Mei-Rong; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: crystal structures, nanoparticles, and inhibiting angiogenesis and the growth of human breast cancer by regulating the VEGF/VEGFR2 signal pathway in vitro.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6043","6055","10.1039/d0dt00380h","","x-ray","0.71073","MoKα","","0.0939","0.0614","","","0.1514","0.181","","","","","","1.042","","","","has coordinates","252820","2020-10-21","18:00:00",""
"7704002","8.4643","0.0004","8.9107","0.0004","9.5","0.0005","114.489","0.001","106.946","0.002","90.151","0.002","617.44","0.05","100","","100","","","","","","","","","5","P 1","P 1","1","","4-bromo-octadecaborane","","- C12 H34 B18 Br0.94 Cl0.2 -","- C12 H34 B18 Br0.941 Cl0.1983 -","- C12 H34 B18 Br0.941 Cl0.1983 -","1","1","","Anderson, Kierstyn P.; Waddington, Mary A.; Balaich, Gary J.; Stauber, Julia M.; Bernier, Nicholas A.; Caram, Justin R.; Djurovich, Peter I.; Spokoyny, Alexander M.","A molecular boron cluster-based chromophore with dual emission.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16245","16251","10.1039/d0dt00826e","","","0.71073","MoKα","","0.0362","0.033","","","0.0804","0.0817","","","","","","1.067","","","","has coordinates,has disorder","260777","2021-01-07","06:28:13",""
"7704009","9.6213","0.0007","10.4768","0.0007","16.8127","0.0012","81.079","0.004","73.385","0.003","62.701","0.003","1442.53","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 Al F36 O4 Rb -","- C16 Al F36 O4 Rb -","- C32 Al2 F72 O8 Rb2 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0223","0.0217","","","0.0477","0.0478","","","","","","1.036","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704010","17.1845","0.0018","17.4964","0.0018","18.6544","0.0019","105.94","0.002","105.366","0.002","113.601","0.002","4472.3","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 Al1.5 Cs1.5 F54 O6 -","- C24 Al1.5 Cs1.5 F54 O6 -","- C96 Al6 Cs6 F216 O24 -","4","4","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0804","0.0462","","","0.1071","0.1304","","","","","","1.043","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704013","9.6278","0.0004","10.5021","0.0004","16.867","0.0004","81.237","0.003","73.421","0.003","62.778","0.004","1453.04","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H4 Al F36 N O4 -","- C16 H4 Al F36 N O4 -","- C32 H8 Al2 F72 N2 O8 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0564","0.0557","","","0.1498","0.1506","","","","","","1.056","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704015","9.645","0.0004","10.6675","0.0005","17.0803","0.0008","82.791","0.004","73.622","0.004","63.24","0.004","1505.47","0.13","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H5 Al F36 N2 O4 -","- C16 H5.0199 Al F36 N2 O4 -","- C32 H10.0398 Al2 F72 N4 O8 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0454","0.0452","","","0.1194","0.1198","","","","","","1.034","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704435","12.2882","0.0013","19.219","0.002","19.786","0.002","87.747","0.003","77.34","0.003","77.49","0.003","4450.8","0.8","105","","105","","","","","","","","","6","P 1","P 1","1","","","","- C45 H38.5 Cl2 N11.5 Ni O8 -","- C45 H38.5 Cl2 N11.5 Ni O8 -","- C180 H154 Cl8 N46 Ni4 O32 -","4","4","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0475","0.0371","","","0.0769","0.0804","","","","","","1.029","","","","has coordinates,has disorder","253885","2020-10-21","18:00:00",""
"7704729","6.2526","0.0004","9.2824","0.0006","13.0984","0.0008","82.245","0.001","80.476","0.001","81.335","0.001","736.45","0.08","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 Co N4 O8 -","- C28 H30 Co N4 O6 -","- C28 H30 Co N4 O6 -","1","1","","Xu, Xuebin; Liu, Meiying; Liu, Zhiliang","Crystal structures and the ferroelectric properties of homochiral metal-organic frameworks constructed from a single chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10402","10406","10.1039/d0dt01323d","","","0.71073","MoKα","","0.0232","0.0225","","","0.0523","0.0526","","","","","","0.9666","","","","has coordinates","257522","2020-10-21","18:00:00",""
"7704837","6.532","0.0011","9.9881","0.0018","11.068","0.002","71.076","0.006","86.884","0.005","89.537","0.005","682","0.2","273","2","273.15","","","","","","","","","6","P 1","P 1","1","","","","- C23 H28 Cl2 Co N5 O10 -","- C23 H28 Cl2 Co N5 O10 -","- C23 H28 Cl2 Co N5 O10 -","1","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0249","0.0247","","","0.0657","0.066","","","","","","1.044","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7705327","9.715","0.005","12.84","0.005","13.069","0.005","77.6","0.005","85.9","0.005","69.6","0.005","1492.3","1.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","1","1","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.71073","MoKα","","0.0567","0.0507","","","0.1206","0.1278","","","","","","1.045","","","","has coordinates","258872","2020-11-06","12:25:00",""
"7705595","12.2456","0.00012","12.336","0.00015","13.6994","0.00018","115.98","0.0012","95.1937","0.0009","102.833","0.0009","1771.73","0.04","93","","93","","","","","","","","","6","P 1","P 1","1","","","","- C54 H49 Mo12 N6 O42 P -","- C54 H49 Mo12 N6 O42 P -","- C54 H49 Mo12 N6 O42 P -","1","1","","Tashiro, Shohei; Shimizu, Shun; Kuritani, Masumi; Shionoya, Mitsuhiko","Protonation-induced self-assembly of bis-phenanthroline macrocycles into nanofibers arrayed with tetrachloroaurate, hexachloroplatinate or phosphomolybdate ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13948","13953","10.1039/d0dt03287e","","","0.71073","MoKα","","0.0332","0.0329","","","0.0835","0.0843","","","","","","1.033","","","","has coordinates","258858","2020-11-06","12:20:06",""
"7705737","12.2202","0.0003","15.0117","0.0003","18.5855","0.0006","95.581","0.002","108.614","0.002","99.64","0.002","3143.75","0.15","130.01","0.1","130.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C18 H37 Cl2 N10 O12.5 Pb -","- C18 H38 Cl2 N10 O12.5 Pb -","- C72 H152 Cl8 N40 O50 Pb4 -","4","4","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","0.71073","MoKα","","0.0329","0.0314","","","0.0707","0.0717","","","","","","1.024","","","","has coordinates,has disorder","258732","2020-11-04","20:05:51",""
"7706021","10.6976","0.0009","10.731","0.0006","11.1962","0.0009","83.744","0.005","66.703","0.008","73.668","0.006","1132.85","0.17","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0435","0.0408","","","0.0892","0.0904","","","","","","1","","","","has coordinates","261703","2021-02-04","23:21:04",""
"7706022","10.7349","0.0003","10.7689","0.0002","11.1509","0.0004","83.873","0.002","66.744","0.003","74.512","0.002","1141.33","0.06","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0384","0.0357","","","0.0708","0.0715","","","","","","0.965","","","","has coordinates","261703","2021-02-04","23:21:04",""
"7706023","10.7328","0.0004","10.7633","0.0004","11.2076","0.0004","83.741","0.003","66.691","0.004","73.88","0.004","1142.29","0.08","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0416","0.0391","","","0.0718","0.0739","","","","","","1.023","","","","has coordinates","261703","2021-02-04","23:21:04",""
"7706024","10.6922","0.0007","10.7184","0.0009","11.1514","0.0008","83.872","0.007","66.808","0.006","74.017","0.007","1129.3","0.16","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0376","0.0369","","","0.077","0.0782","","","","","","1.038","","","","has coordinates","261703","2021-02-04","23:21:05",""
"7706235","9.558","0.0009","11.4587","0.001","11.6652","0.001","108.182","0.003","90.985","0.003","91.903","0.003","1212.63","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Gd N7 O10 -","- C19 H24 Gd N7 O10 -","- C38 H48 Gd2 N14 O20 -","2","2","","Pilichos, E.; Font-Bardia, M; Escuer, A.; Mayans, J.","Structural and magnetic studies of mononuclear lanthanide complexes derived from N-rich chiral Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1746","1753","10.1039/d0dt04224b","","","0.71073","MoKα","","0.019","0.0183","","","0.0429","0.0434","","","","","","1.04","","","","has coordinates","262621","2021-03-05","01:59:11",""
"7706246","8.0728","0.0005","11.0224","0.0007","11.4744","0.0006","111.118","0.006","102.845","0.005","104.506","0.006","865.09","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- K5 Mo O37 U10 -","- K5 Mo O37 U10 -","- K5 Mo O37 U10 -","1","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","","0.0443","0.034","","","0.0761","0.0827","","","","","","1.131","","","","has coordinates","260508","2021-01-05","07:18:47",""
"7706660","8.8946","0.0008","11.6045","0.0008","13.7282","0.0009","93.542","0.006","100.835","0.007","95.115","0.007","1381.71","0.19","100.01","0.14","100","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H60 Cl2 N12 O10 Zn2 -","- C52 H60 Cl2 N12 O10 Zn2 -","- C52 H60 Cl2 N12 O10 Zn2 -","1","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.71073","MoKα","","0.1375","0.0673","","","0.1122","0.1392","","","","","","1.003","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7706753","10.493","0.002","12.782","0.003","13.595","0.003","65.39","0.03","68.66","0.03","80.04","0.03","1543.6","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H50 Cu2 N16 O35 P2 -","- C40 H50 Cu2 N16 O35 P2 -","- C40 H50 Cu2 N16 O35 P2 -","1","1","","Song, Wen-Jing; Su, Hao; Zhou, Pei; Zhu, Yan-Hong; Khan, Maroof Ahmad; Song, Jian-Biao; Li, Hui","Controllable synthesis of two adenosine 5'-monophosphate nucleotide coordination polymers via pH regulation: crystal structure and chirality.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4713","4719","10.1039/d1dt00133g","","","0.71073","MoKα","","0.0483","0.0423","","","0.0977","0.1014","","","","","","0.984","","","","has coordinates","266058","2021-06-05","18:45:50",""
"7706805","8.2937","0.0011","9.0157","0.0012","13.7482","0.0018","73.077","0.002","75.363","0.002","64.382","0.002","877.2","0.2","170","","170","","","","","","","","","6","P 1","P 1","1","","","","- C18 H20 Au Cl N2 O -","- C18 H20 Au Cl N2 O -","- C36 H40 Au2 Cl2 N4 O2 -","2","2","","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","","","0.71073","MoKα","","0.0445","0.0382","","","0.0895","0.0929","","","","","","0.965","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706950","11.5215","0.0017","14.608","0.002","14.677","0.002","62.145","0.002","87.982","0.002","66.868","0.002","1974.7","0.5","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C105 H84 B2 N2 O6 -","- C105 H84 B2 N2 O6 -","- C105 H84 B2 N2 O6 -","1","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","","0.71073","MoKα","","0.0515","0.0394","","","0.0806","0.0862","","","","","","1.03","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7706953","11.1617","0.0001","14.9858","0.0002","15.9416","0.0002","65.773","0.001","82.04","0.001","68.445","0.001","2261.36","0.05","99.9","0.4","99.9","0.4","","","","","","","","5","P 1","P 1","1","","","","- C114 H108 B2 N2 O14 -","- C114 H108 B2 N2 O14 -","- C114 H108 B2 N2 O14 -","1","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","x-ray","1.54184","CuKα","","0.0397","0.0367","","","0.0944","0.0966","","","","","","1.028","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7707090","5.9782","0.0014","8.5423","0.0019","8.728","0.002","69.92","0.02","70.932","0.014","72.958","0.015","387.35","0.16","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C4 H8 Cl4 N4 O4 P4 -","- C4 H8 Cl4 N4 O4 P4 -","- C4 H8 Cl4 N4 O4 P4 -","1","1","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap","Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6673","6681","10.1039/d1dt00386k","","","0.71073","MoKα","","0.166","0.1416","","","0.3547","0.3687","","","","","","1.336","","","","has coordinates","266018","2021-06-05","18:35:15",""
"7707259","9.0195","0.0002","12.3261","0.0004","12.5871","0.0003","101.321","0.002","110.969","0.002","97.225","0.002","1251.57","0.06","173","","173","","","","","","","","","6","P 1","P 1","1","","O-acetylsinigrin","","- C18 H24 K N O13 S2 -","- C18 H24 K N O13 S2 -","- C36 H48 K2 N2 O26 S4 -","2","2","","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","","0.0585","0.0441","","","0.0993","0.1049","","","","","","1.031","","","","has coordinates","267143","2021-07-05","17:28:39",""
"7707534","7.1424","0.0005","9.1357","0.0009","18.4824","0.0014","96.097","0.008","100.086","0.006","92.237","0.007","1178.59","0.17","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H22 Cl3 F N2 Pt -","- C24 H22 Cl3 F N2 Pt -","- C48 H44 Cl6 F2 N4 Pt2 -","2","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","x-ray","0.71073","MoKα","","0.1002","0.0792","","","0.2133","0.2332","","","","","","1.055","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707536","9.3078","0.0006","13.984","0.001","20.3736","0.0016","74.719","0.006","77.334","0.006","89.414","0.006","2492.6","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C23.94 H20.94 Cl3.81 F N2 Pt -","- C23.9375 H20.9375 Cl3.8125 F N2 Pt -","- C95.75 H83.75 Cl15.25 F4 N8 Pt4 -","4","4","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","0.71073","MoKα","","0.1198","0.0657","","","0.1385","0.1528","","","","","","0.882","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707725","7.6054","0.0003","9.5171","0.0004","10.8397","0.0007","94.828","0.004","94.349","0.005","105.697","0.008","748.66","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H28 Co2 N4 O20 -","- C20 H28 Co2 N4 O20 -","- C20 H28 Co2 N4 O20 -","1","1","","de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10707","10728","10.1039/d1dt01693h","","","0.71073","MoKα","","0.0733","0.0571","","","0.1542","0.1709","","","","","","1.045","","","","has coordinates","268791","2021-09-06","11:21:25",""
"7707827","9.2785","0.0004","10.8229","0.0004","11.2472","0.0004","100.313","0.002","109.063","0.002","110.537","0.002","943.06","0.07","100","","100","","","","","","","","","4","P 1","P 1","1","","1,3-bis(4,5-dihydro-4-(S)-iso-propyloxazol-2-ylimino)isoindoline","","- C20 H25 N5 O2 -","- C20 H25 N5 O2 -","- C40 H50 N10 O4 -","2","2","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","1.54184","CuKα","","0.0323","0.0299","","","0.073","0.075","","","","","","1.054","","","","has coordinates","268702","2021-09-06","10:52:27",""
"7707901","10.0915","0.0005","10.244","0.0005","17.2833","0.0009","87.9","0.002","86.203","0.002","76.965","0.002","1736.41","0.15","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C37 H54 Li N O3 Si -","- C37 H54 Li N O3 Si -","- C74 H108 Li2 N2 O6 Si2 -","2","2","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0423","0.0373","","","0.0925","0.0952","","","","","","1.047","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707982","12.1104","0.0002","14.1717","0.0003","14.9865","0.0003","67.459","0.001","89.607","0.001","88.429","0.001","2374.65","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C94 H146 Cl6 P6 Ru3 -","- C94 H146 Cl6 P6 Ru3 -","- C94 H146 Cl6 P6 Ru3 -","1","1","","Wiedmaier, Nicholas R.; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Carbocyclic pincer carbene complexes of ruthenium: syntheses and reversible hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11814","11820","10.1039/d1dt02266k","","","0.71073","MoKα","","0.0297","0.0279","","","0.0657","0.0667","","","","","","1.037","","","","has coordinates","268802","2021-09-06","11:26:29",""
"7708437","9.866","0.005","10.771","0.005","12.093","0.006","101.033","0.019","101.83","0.03","91.21","0.02","1232.1","1.1","100","","100","","","","","","","","see text","6","P 1","P 1","1","","","","- C56 H66 Fe N4 O P2 -","- C56 H66 Fe N4 O P2 -","- C56 H66 Fe N4 O P2 -","1","1","","Baierl, Ramona; Kostenko, Arseni; Hanusch, Franziska; Inoue, Shigeyoshi","Application of Ferrocene-Bridged N-Heterocyclic Carbene Stabilised Bis-Phosphinidenes in Sn(II) Complexation","Dalton Transactions","2021","","","","","10.1039/D1DT03016G","","x-ray","0.71073","MoKα","","0.0451","0.0334","","","0.0786","0.0851","","","","","","1.01","","","","has coordinates,has disorder","269330","2021-09-27","22:56:21",""
"7708633","9.704","0.0017","9.8836","0.0017","10.578","0.0019","92.787","0.006","111.417","0.006","104.512","0.006","903.2","0.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H39 Br N O3 P2 Re -","- C37 H39 Br N O3 P2 Re -","- C37 H39 Br N O3 P2 Re -","1","1","","Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas","New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)","Dalton Transactions","2021","","","","","10.1039/D1DT03234H","","","0.71069","MoKα","","0.024","0.0239","","","0.0515","0.0515","","","","","","1.016","","","","has coordinates,has disorder","270125","2021-10-28","23:47:57",""
"7708634","9.6184","0.0003","9.8959","0.0004","10.6919","0.0004","92.434","0.003","111.683","0.003","104.288","0.003","906.27","0.06","182.9","0.6","182.9","0.6","","","","","","","","7","P 1","P 1","1","","","","- C37 H39 Cl N O3 P2 Tc -","- C37 H39 Cl N O3 P2 Tc -","- C37 H39 Cl N O3 P2 Tc -","1","1","","Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas","New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)","Dalton Transactions","2021","","","","","10.1039/D1DT03234H","","x-ray","0.71073","MoKα","","0.0521","0.0459","","","0.0992","0.1035","","","","","","1.027","","","","has coordinates","270125","2021-10-28","23:47:58",""
"7708813","10.1726","0.0006","11.9179","0.0007","18.683","0.0011","97.217","0.001","97.823","0.001","103.604","0.001","2151.6","0.2","173","","173","","","","","","","","","8","P 1","P 1","1","","","","- C88 H110 B2 F10 Fe4 N4 P2 S4 -","- C88 H110 B2 F10 Fe4 N4 P2 S4 -","- C88 H110 B2 F10 Fe4 N4 P2 S4 -","1","1","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.0773","0.0498","","","0.0841","0.0914","","","","","","1.017","","","","has coordinates","270628","2021-11-12","23:56:03",""
"7709097","11.8817","0.0004","12.7992","0.0005","15.9038","0.0006","70.902","0.003","73.484","0.003","86.308","0.003","2190.08","0.15","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H113 Cr3 Gd3 N3 O30 -","- C55 H113 Cr3 Gd3 N3 O30 -","- C55 H113 Cr3 Gd3 N3 O30 -","1","1","","Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03176G","","","0.71073","MoKα","","0.0562","0.0467","","","0.1101","0.1197","","","","","","1.03","","","","has coordinates,has disorder","271424","2021-12-15","00:01:32",""
"7709098","11.8453","0.0007","12.774","0.0011","15.8177","0.0008","70.849","0.006","73.57","0.005","86.2","0.006","2167.7","0.3","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H111 Cr3 N3 O30 Y3 -","- C54 H111 Cr3 N3 O30 Y3 -","- C54 H111 Cr3 N3 O30 Y3 -","1","1","","Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03176G","","","0.71073","MoKα","","0.2045","0.1123","","","0.2516","0.3364","","","","","","1.007","","","","has coordinates,has disorder","271424","2021-12-15","00:01:32",""
"7709099","11.84","0.005","12.803","0.005","15.825","0.005","70.741","0.005","73.517","0.005","86.314","0.005","2170.4","1.4","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H113 Cr3 Dy3 N3 O30 -","- C55 H113 Cr3 Dy3 N3 O30 -","- C55 H113 Cr3 Dy3 N3 O30 -","1","1","","Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03176G","","","0.71073","MoKα","","0.0468","0.0408","","","0.1027","0.1099","","","","","","1.045","","","","has coordinates,has disorder","271424","2021-12-15","00:01:32",""
"7709303","13.0683","0.0007","15.7834","0.001","16.6333","0.0011","114.266","0.003","99.41","0.003","102.907","0.003","2920.1","0.3","293","2","293.04","","","","","","","","","7","P 1","P 1","1","","","","- C49.7 H42.62 Cu8 K4 Mn13 Na6 O101.7 -","- C49.7 H42.62 Cu8 K4 Mn13 Na6 O101.7 -","- C49.7 H42.62 Cu8 K4 Mn13 Na6 O101.7 -","1","1","","Peng, Zhiwei; Li, Shu; Li, Ao; Liao, Jiaming; Wang, Yiman; Li, Xudong; Meng, Wei; Zhang, Jian","Heterometallic Chiral [Mn13Cu8] Single-Molecule Magnets","Dalton Transactions","2022","","","","","10.1039/D1DT04291B","","","0.71073","MoKα","","0.0847","0.0619","","","0.1543","0.1688","","","","","","1.041","","","","has coordinates,has disorder","272061","2022-01-15","23:39:03",""
"7709304","13.0061","0.0005","15.9364","0.0006","16.6526","0.0006","114.136","0.001","99.411","0.001","102.301","0.001","2953.4","0.2","293","2","293.04","","","","","","","","","7","P 1","P 1","1","","","","- C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6 -","- C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6 -","- C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6 -","1","1","","Peng, Zhiwei; Li, Shu; Li, Ao; Liao, Jiaming; Wang, Yiman; Li, Xudong; Meng, Wei; Zhang, Jian","Heterometallic Chiral [Mn13Cu8] Single-Molecule Magnets","Dalton Transactions","2022","","","","","10.1039/D1DT04291B","","","0.71073","MoKα","","0.0525","0.0491","","","0.1366","0.1412","","","","","","1.033","","","","has coordinates,has disorder","272061","2022-01-15","23:39:04",""
"7709305","10.603","0.004","13.87","0.005","13.974","0.005","101.884","0.004","96.491","0.002","105.675","0.002","1904.9","1.2","103","2","103","2","","","","","","","","3","P 1","P 1","1","","1,2-bis(2-(2,4-6-tri-tert-butylphenyl)diphosphenyl)-[1,1'-binaphthalen]-3-yl)ethane","","- C92 H102 P4 -","- C92 H102 P4 -","- C92 H102 P4 -","1","1","","Ura, Rikako; Tsurusaki, Akihiro; Kamikawa, Ken","Palladium(II) Complexes of Bis(diphosphene) with the Different Coordination Behavior","Dalton Transactions","2022","","","","","10.1039/D1DT03806K","","","0.71075","MoKα","","0.0431","0.0373","","","0.0936","0.0966","","","","","","1.018","","","","has coordinates","272089","2022-01-17","23:45:43",""
"7709423","8.7045","0.0003","12.6193","0.0005","16.8514","0.0006","108.029","0.002","91.507","0.002","100.848","0.002","1721.6","0.11","100.02","","100.02","","","","","","","","","7","P 1","P 1","1","","(1,8-bisphenyl-4,5,11,12,17,18-hexaethyl-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-1,8-diboratabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene)-nickel","","- C31 H42 B2 Cl2 N6 Ni O6 -","- C31 H42 B2 Cl2 N6 Ni O6 -","- C62 H84 B4 Cl4 N12 Ni2 O12 -","2","2","","Campanella, Anthony J.; Ozvat, Tyler M.; Zadrozny, Joseph M.","Ligand design of zero-field splitting in trigonal prismatic Ni(II) cage complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3341","3348","10.1039/d1dt02156g","","","0.71073","MoKα","","0.055","0.0407","","","0.0908","0.097","","","","","","1.015","","","","has coordinates","273360","2022-03-04","22:11:12",""
"7709864","10.275","0.002","12.274","0.003","14.766","0.003","68.1","0.03","73.46","0.03","88.06","0.03","1650.9","0.8","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H67 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","1","1","","Kim, Dongwon; Seo, Kyeong-Deok; Shim, Yoon-Bo; Lee, Kyungsuh; Lee, Sang Hak; Lee, Young-A.; Jung, Ok-Sang","Pair of chiral 2D silver(i) enantiomers: chiral recognition of l- and d-histidine via differential pulse voltammetry","Dalton Transactions","2022","","","","","10.1039/D1DT03371A","","","0.7","synchrotron","","0.0995","0.0632","","","0.1625","0.1829","","","","","","0.92","","","","has coordinates","274145","2022-03-30","23:09:52",""
"7709865","10.284","0.002","12.348","0.003","14.787","0.003","67.17","0.03","72.2","0.03","87.2","0.03","1642.6","0.8","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H67 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","1","1","","Kim, Dongwon; Seo, Kyeong-Deok; Shim, Yoon-Bo; Lee, Kyungsuh; Lee, Sang Hak; Lee, Young-A.; Jung, Ok-Sang","Pair of chiral 2D silver(i) enantiomers: chiral recognition of l- and d-histidine via differential pulse voltammetry","Dalton Transactions","2022","","","","","10.1039/D1DT03371A","","","0.78","synchrotron","","0.1911","0.087","","","0.2246","0.2885","","","","","","0.966","","","","has coordinates,has disorder","274145","2022-03-30","23:09:53",""
"7709923","13.798","0.003","13.807","0.003","24.382","0.004","96.467","0.007","104.784","0.007","110.524","0.007","4100","1.5","100","1","100","1","","","","","","","","7","P 1","P 1","1","","","","- C64 H148 K N16 Nd O2 P4 -","- C64 H148 K N16 Nd O2 P4 -","- C128 H296 K2 N32 Nd2 O4 P8 -","2","2","","Rice, Natalie T.; Popov, Ivan A.; Carlson, Rebbeca; Greer, Samuel M.; Boggiano, Andrew C.; Stein, Benjamin William; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry Storms","Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00758D","","","0.71073","MoKα","","0.0383","0.0363","","","0.0786","0.0801","","","","","","1.045","","","","has coordinates","274223","2022-04-02","22:51:19",""
"7710078","7.7844","0.0001","7.8052","0.0001","18.2463","0.0002","94.189","0.001","97.931","0.001","90.917","0.001","1094.7","0.02","360","0.4","360","2","","","","","","","","5","P 1","P 1","1","","1","","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","1","1","","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","","0.0434","0.0327","","","0.0774","0.0819","","","","","","1.069","","","","has coordinates","274591","2022-04-19","23:20:52",""
"7710079","7.7817","0.0001","7.7972","0.0001","18.2458","0.0003","94.151","0.001","97.976","0.001","90.842","0.001","1093.14","0.03","360","","360","","","","","","","","","5","P 1","P 1","1","","","","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","1","1","","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","","0.0425","0.0329","","","0.0794","0.0838","","","","","","1.069","","","","has coordinates,has disorder","274591","2022-04-19","23:20:52",""
"7710202","16.1923","0.0009","17.1783","0.001","20.162","0.0009","90.243","0.002","90.262","0.002","109.057","0.002","5300.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C196 H260 Cl8 Co4 Cu8 N16 O78 -","- C196 H258 Cl8 Co4 Cu8 N16 O78 -","- C196 H258 Cl8 Co4 Cu8 N16 O78 -","1","1","","Pilichos, Evangelos; Font-Bardia, Merce; Cano, Joan; Escuer, Albert; Mayans, Julia","Slow magnetic relaxation for cobalt(II) complexes in axial bipyramidal environment: an S = ½ spin case","Dalton Transactions","2022","","","","","10.1039/D2DT00880G","","","0.71073","MoKα","","0.0693","0.0607","","","0.1542","0.1629","","","","","","1.039","","","","has coordinates","275086","2022-05-05","22:51:15",""
"7710372","6.6103","0.0018","12.874","0.004","16.166","0.005","97.48","0.04","90.45","0.04","97.24","0.04","1352.7","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H27 K Mg O9 -","- C27 H27 K Mg O9 -","- C54 H54 K2 Mg2 O18 -","2","2","","Petrus, Rafał; Lis, Tadeusz; Kowaliński, Adrian","Use of heterometallic magnesium-alkali metal aryloxides in ring-opening polymerization of cyclic esters","Dalton Transactions","2022","","","","","10.1039/D2DT00731B","","","0.71073","MoKα","","0.113","0.0727","","","0.1594","0.1759","","","","","","0.969","","","","has coordinates","275696","2022-05-30","22:58:51",""
"7710553","13.7516","0.0007","14.4882","0.0007","17.3962","0.0009","106.052","0.002","102.166","0.002","111.963","0.001","2890.8","0.3","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C56 H40 B Co D6 F24 N2 P2 -","- C56 H40 B Co D6 F24 N2 P2 -","- C112 H80 B2 Co2 D12 F48 N4 P4 -","2","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~","0.0419","0.0333","","","0.0722","0.0763","","","","","","1.016","","","","has coordinates,has disorder","276207","2022-06-23","23:09:12",""
"7710693","19.39366","0.00019","19.39366","","19.39366","","90","","90","","90","","7294.23","0.07","300","","300","","","","100","","","","","5","P 1","P 1","1","","","","- C48 H104 N32 O272 Si136 -","- C48 H104 N32 O272 Si136 -","- C48 H104 N32 O272 Si136 -","1","1","","Fu, Guangying; Dib, Eddy; Lang, Qiaolin; Zhao, Haonuan; Wang, Songxia; Ding, Ruiqin; Yang, Xiaobo; Valtchev, Valentin","Acidic medium synthesis of zeolites – an avenue to control the structure-directing power of the organic template","Dalton Transactions","2022","","","","","10.1039/D2DT01554D","powder diffraction","x-ray","1.54051","Kα~1,2~","","","","","","0.06862","","0","","0.809","","","","","","","has coordinates","276714","2022-07-06","22:59:32",""
"7710742","7.276","0.0003","8.6431","0.0003","13.5955","0.0005","83.197","0.001","84.014","0.001","71.177","0.001","801.57","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H20 Br2 N Ni P -","- C12 H20 Br2 N Ni P -","- C24 H40 Br4 N2 Ni2 P2 -","2","2","","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","","","0.71073","MoKα","","0.0203","0.0182","","","0.0362","0.0376","","","","","","1.077","","","","has coordinates","276837","2022-07-23","00:13:03",""
"7711345","10.5876","0.0001","10.6303","0.0001","10.8705","0.0001","106.54","0.001","91.651","0.001","95.626","0.001","1165.13","0.02","99.97","0.15","99.97","0.15","","","","","","","","7","P 1","P 1","1","","","","- C52 H72 B Fe N O2 P2 -","- C52 H72 B Fe N O2 P2 -","- C52 H72 B Fe N O2 P2 -","1","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0342","0.0335","","","0.0867","0.0873","","","","","","1.047","","","","has coordinates","278200","2022-09-26","22:53:10",""
"7711545","12.2722","0.0006","14.5327","0.0007","17.2926","0.0008","101.148","0.002","100.531","0.002","111.062","0.002","2714.5","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C101 H128 Cl8 Cu4 Mn2 N8 O35 -","- C101 H128 Cl8 Cu4 Mn2 N8 O35 -","- C101 H128 Cl8 Cu4 Mn2 N8 O35 -","1","1","","Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert","Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.","Dalton Transactions","2022","","","","","10.1039/D2DT02807G","","","0.71073","MoKα","","0.0601","0.0481","","","0.1328","0.1453","","","","","","1.02","","","","has coordinates,has disorder","278757","2022-10-24","23:11:09",""
"7711590","8.61725","0.00019","9.0624","0.0002","11.6675","0.0003","109.288","0.002","95.2123","0.0017","103.576","0.0019","821.78","0.04","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H28 Cu F6 N4 O8 S2 -","- C25 H28 Cu F6 N4 O8 S2 -","- C25 H28 Cu F6 N4 O8 S2 -","1","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0542","0.0531","","","0.1449","0.1472","","","","","","1.032","","","","has coordinates","278841","2022-10-27","22:57:19",""
"7711592","10.8136","0.0003","14.3149","0.0004","14.8173","0.0005","114.84","0.003","110.408","0.003","95.136","0.002","1874.2","0.13","136","11","136","11","","","","","","","","6","P 1","P 1","1","","","","- C64.35 H81.05 Cl2 N12.35 Ni O26.7 -","- C64.35 H81.05 Cl2 N12.35 Ni O26.7 -","- C64.35 H81.05 Cl2 N12.35 Ni O26.7 -","1","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0533","0.052","","","0.1437","0.1466","","","","","","1.033","","","","has coordinates","278841","2022-10-27","22:57:20",""
"7711612","8.968","0.0009","11.1217","0.0011","11.4442","0.0011","112.54","0.004","110.284","0.004","96.764","0.004","946.57","0.17","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C40 H32 Cr F6 N10 O4 P -","- C40 H32 Cr F6 N10 O4 P -","- C40 H32 Cr F6 N10 O4 P -","1","1","","Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei","The energy gap law for NIR-phosphorescent Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2561","2565","10.1039/d2dt02872g","","x-ray","1.54178","CuKα","","0.0713","0.0709","","","0.1969","0.1981","","","","","","1.036","","","","has coordinates","283327","2023-05-05","02:29:22",""
"7711884","13.0921","0.0006","13.0811","0.0006","21.0745","0.0015","90.023","0.0013","90.093","0.014","90.071","0.009","3609.2","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C48 H120 Li2 O4 Sc2 Si8 -","- C48 H120 Li2 O4 Sc2 Si8 -","- C96 H240 Li4 O8 Sc4 Si16 -","2","2","","Mortis, Alexandros; Kracht, Felix; Berger, Tassilo; Lebon, Jakob; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metal trimethylsilylmethyl ate complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","44","51","10.1039/d2dt03491c","","","0.71073","MoKα","","0.1113","0.0894","","","0.2093","0.2256","","","","","","1.037","","","","has coordinates,has disorder","283228","2023-05-05","01:38:20",""
"7711909","15.1651","0.0009","21.3862","0.0012","25.7029","0.0016","98.383","0.003","104.409","0.004","93.786","0.003","7941.9","0.8","123","2","123","2","","","","","","","","9","P 1","P 1","1","","η2-{Bis(diphenylphosphanyl)ethyne}-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-κ1-trifluoromethansulfonate-tungsten(II)","","- C53 H62.67 B F3 N6 O5.49 P2 S W -","- C46 H48 B F3 N6 O4.15267 P2 S W -","- C276 H288 B6 F18 N36 O24.916 P12 S6 W6 -","6","6","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0598","0.0419","","","0.0813","0.0888","","","","","","0.985","","","","has coordinates,has disorder","283291","2023-05-05","02:11:08",""
"7712416","8.12372","0.00016","10.6734","0.0002","12.4777","0.0003","64.9809","0.0019","75.1697","0.0017","78.0265","0.0016","941.64","0.04","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","1","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54184","CuKα","","0.0551","0.0538","","","0.1386","0.1397","","","","","","1.051","","","","has coordinates","281145","2023-02-25","08:44:32",""
"7712417","8.1202","0.0005","10.667","0.0005","12.4761","0.0008","64.867","0.006","75.15","0.006","78.068","0.005","939.73","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","1","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54184","CuKα","","0.0392","0.0377","","","0.1027","0.1048","","","","","","1.106","","","","has coordinates","281145","2023-02-25","08:44:32",""
"7712418","8.7181","0.0003","11.4705","0.0006","13.6295","0.0004","81.28","0.003","72.282","0.003","85.815","0.004","1282.78","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H53.5 F12 N4 O10.75 Zn2 -","- C46 H53.5 F12 N4 O10.75 Zn2 -","- C46 H53.5 F12 N4 O10.75 Zn2 -","1","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54178","CuKα","","0.0885","0.0732","","","0.1868","0.2058","","","","","","1.015","","","","has coordinates,has disorder","281145","2023-02-25","08:44:32",""
"7712491","8.0568","0.0001","9.7524","0.0002","12.7427","0.0002","73.172","0.001","75.07","0.001","72.673","0.002","898.63","0.03","123","2","123.15","","","","","","","","","6","P 1","P 1","1","","","","- C18 H19 Al Cl2 N2 O -","- C18 H19 Al Cl2 N2 O -","- C36 H38 Al2 Cl4 N4 O2 -","2","2","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","0.71073","MoKα","","0.0304","0.0277","","","0.063","0.0642","","","","","","1.063","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712492","10.0591","0.0001","10.2551","0.0002","12.5367","0.0002","113.677","0.002","95.189","0.001","102.207","0.001","1135.18","0.04","123","0.1","123","0.1","","","","","","","","7","P 1","P 1","1","","","","- C54 H51 Al Cl2 F2 N2 O -","- C54 H51 Al Cl2 F2 N2 O -","- C54 H51 Al Cl2 F2 N2 O -","1","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","1.54184","CuKα","","0.0306","0.0299","","","0.0793","0.0799","","","","","","1.086","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712493","10.4019","0.0003","13.797","0.0003","15.2529","0.0004","66.674","0.002","77.295","0.002","77.259","0.002","1939","0.09","122.99","0.1","293","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H48 N2 O -","- C48 H48 N2 O -","- C96 H96 N4 O2 -","2","2","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","1.54184","CuKα","","0.0654","0.058","","","0.1528","0.1656","","","","","","1.049","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712554","14.706","0.003","16.346","0.003","17.419","0.005","84.392","0.008","82.455","0.009","63.855","0.005","3722.5","1.5","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C154.5 H178 Cl8 F2 N6 Re2 -","- C154.5 H178 Cl8 F2 N6 Re2 -","- C154.5 H178 Cl8 F2 N6 Re2 -","1","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","x-ray","0.71073","MoKα","K-L~2,3~","0.046","0.0396","","","0.0993","0.1039","","","","","","1.045","","","","has coordinates,has disorder","281755","2023-03-08","23:57:49",""
"7712600","9.1985","0.0007","9.6099","0.0006","11.5412","0.0007","76.555","0.002","87.681","0.003","82.367","0.003","983.4","0.11","150","2","150","","","","","","","","","7","P 1","P 1","1","","22","","- C24 H38 B2 Co2 N16 O14 S2 -","- C24 H38 B2 Co2 N16 O14 S2 -","- C24 H38 B2 Co2 N16 O14 S2 -","1","1","","Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang","Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00196b","","","0.71073","MoKα","","0.0583","0.0435","","","0.1003","0.1116","","","","","","1.069","","","","has coordinates","281852","2023-03-13","23:59:09",""
"7712803","11.6419","0.0009","12.1357","0.001","17.4345","0.0014","100.123","0.003","107.912","0.003","90.396","0.003","2302.4","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H67 B F6 N7 O2 Yb -","- C43 H67 B F6 N7 O2 Yb -","- C86 H134 B2 F12 N14 O4 Yb2 -","2","2","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0837","0.0526","","","0.1091","0.1253","","","","","","1.067","","","","has coordinates,has disorder","282705","2023-04-18","23:35:31",""
"7712818","10.0554","0.0004","11.1554","0.0004","13.6202","0.0005","68.712","0.001","86.023","0.001","74.342","0.001","1370.03","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H29 Ce N5 O10 -","- C12 H13 Ce0.5 N2.5 O5 -","- C24 H26 Ce N5 O10 -","2","2","","Gumbo, Maureen; Makhubela, Banothile C.E.; Mehlana, Gift","Two Novel Metal-Organic Frameworks functionalised with pentamethylcyclopentadienyl iridium(III) chloride for catalytic conversion of carbon dioxide to formate","Dalton Transactions","2023","","","","","10.1039/D3DT00635B","","","0.71073","MoKα","","0.0349","0.028","","","0.0556","0.0581","","","","","","1.056","","","","has coordinates","282753","2023-04-19","23:48:06",""
"7713009","6.061","0.0012","7.009","0.0014","10.677","0.002","89.49","0.03","84.51","0.03","87.4","0.03","451.03","0.15","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H18 N2 Ni O5 -","- C14 H18 N2 Ni O5 -","- C14 H18 N2 Ni O5 -","1","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Ni complex and 2D Ni-MOF: Topology dependent highly enhanced electrocatalytic OER activity","Dalton Transactions","2023","","","","","10.1039/D3DT00976A","","","0.63","synchrotron","","0.0766","0.076","","","0.1852","0.1861","","","","","","1.118","","","","has coordinates","283702","2023-05-11","23:07:47",""
"7713126","8.91439","0.00018","11.5588","0.0002","13.5263","0.0003","70.3306","0.0019","83.4315","0.0017","80.1947","0.0016","1290.8","0.05","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C27 H35 Cl N2 Pd -","- C27 H35 Cl N2 Pd -","- C54 H70 Cl2 N4 Pd2 -","2","2","","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","","0.0428","0.0347","","","0.0786","0.0846","","","","","","1.067","","","","has coordinates,has disorder","283948","2023-05-22","22:57:21",""
"7713234","9.3476","0.0007","10.4026","0.0007","15.774","0.0011","76.878","0.002","78.518","0.002","89.593","0.002","1462.74","0.18","173","2","173.15","","","","","","","","","6","P 1","P 1","1","","1,1',1'',1'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis-(propan-2-ol)cobalt(II) dichloride 1,1',1'',1'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis-(propan-2-ol)cobalt(II)tetrachloridocobaltate dihydrate monoacetonitrile solvate","","- C42 H94.38 Cl6 Co3 N9 O9.69 -","- C42 H94.38 Cl6 Co3 N9 O9.69 -","- C42 H94.38 Cl6 Co3 N9 O9.69 -","1","1","","Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet","Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents","Dalton Transactions","2023","","","","","10.1039/D3DT01572F","","","0.71073","MoKα","","0.075","0.0353","","","0.0634","0.0719","","","","","","1.036","","","","has coordinates,has disorder","284603","2023-06-29","10:39:24",""
"7713241","4.2204","0.0014","6.0284","0.0019","9.659","0.003","84.14","0.03","80.32","0.03","78.44","0.03","236.74","0.13","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 K N3 O2 S -","- C7 H6 K N3 O2 S -","- C7 H6 K N3 O2 S -","1","1","","Gond, M. K.; Rai, Nilesh; Chandra, Brijesh; Gautam, Vibhav; Garai, Somenath; Butcher, R. J.; Bharty, Manoj K.","Isolation of potassium salt of oxadiazole-2-thione and In Vitro Anticancer Activities of its Cu(II) and Zn(II) complexes against MDA-MB-231 human breast carcinoma cells","Dalton Transactions","2023","","","","","10.1039/D3DT01388J","","","0.71073","MoKα","","0.03","0.0283","","","0.0726","0.0759","","","","","","1.065","","","","has coordinates","284605","2023-06-29","10:40:49",""
"7713243","16.9646","0.0007","17.3879","0.0007","26.959","0.0011","81.6","0.003","78.332","0.003","67.56","0.004","7177.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C119.5 H205.5 Cl16 Mn4 N16 -","- C119.5 H203 Cl16 Mn4 N16 -","- C239 H406 Cl32 Mn8 N32 -","2","2","","Chen, Peng; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Yang, Zhu; Lu, Yanzhou; Zhang, Wentao; Cai, Hong-Ling; Wu, X. S.","A room temperature ferroelectric material with photoluminescence: (1,3-dicyclohexylimidazole)<sub>2</sub>MnCl<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01260c","","x-ray","0.71073","MoKα","","0.1779","0.0964","","","0.2442","0.3102","","","","","","1.035","","","","has coordinates","284606","2023-06-29","10:41:55",""
"7713253","8.8969","0.0002","9.3354","0.0002","15.1475","0.0004","76.082","0.002","78.93","0.002","74.721","0.002","1166.83","0.05","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H31 O2 Sb -","- C27 H31 O2 Sb -","- C54 H62 O4 Sb2 -","2","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","","0.0263","0.0251","","","0.0605","0.0612","","","","","","1.047","","","","has coordinates,has disorder","284608","2023-06-29","10:45:05",""
"7713298","8.57","0.004","8.857","0.004","9.228","0.004","73.69","0.03","72.73","0.03","63.57","0.03","589.8","0.5","213","","213","","","","","","","","","6","P 1","P 1","1","","","","- C16 H30 Cl4 N4 O Se -","- C16 H30 Cl4 N4 O Se -","- C16 H30 Cl4 N4 O Se -","1","1","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.116","0.0404","","","0.0728","0.0867","","","","","","0.608","","","","has coordinates","284626","2023-06-29","11:05:45",""
"7713414","8.268","0.0006","8.892","0.0006","9.5432","0.0006","110.668","0.006","104.445","0.006","107.384","0.006","574.86","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C11 H26 Mg2 N2 O15 P2 -","- C11 H26 Mg2 N2 O15 P2 -","- C11 H26 Mg2 N2 O15 P2 -","1","1","","Luo, Lisiteng; Wen, Xuemei; Cheng, Juan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis of magnesium phosphite-oxalates showing second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01885G","","x-ray","0.71073","MoKα","","0.0397","0.0354","","","0.075","0.0791","","","","","","1.027","","","","has coordinates","285089","2023-07-07","22:52:40",""
"7713522","10.68048","0.00015","11.3883","0.0001","12.62996","0.00013","72.3194","0.0008","67.0804","0.0011","84.0598","0.0009","1347.91","0.03","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H56 Cu2 N4 O12 S4 -","- C52 H56 Cu2 N4 O12 S4 -","- C52 H56 Cu2 N4 O12 S4 -","1","1","","Fan, Rong; Wei , Jing-Chen; Xu, Bing-Bing; Jin, Nan; Gong, Xiao-Yi; Qin, Xiuying","A novel chiral oxazoline copper(Ⅱ)-based complex inhibits ovarian cancer growth in vitro and vivo by regulating VEGF/VEGFR2 downstream signaling pathways and apoptosis factors","Dalton Transactions","2023","","","","","10.1039/D3DT01648J","","","1.54184","CuKα","","0.0882","0.0878","","","0.2411","0.2431","","","","","","1.003","","","","has coordinates,has disorder","285283","2023-07-19","23:00:48",""
"7713954","8.3258","0.0001","13.2735","0.0002","13.4369","0.0002","64.991","0.002","86.277","0.002","73.168","0.001","1285.23","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H25 N7 O2 -","- C32 H25 N7 O2 -","- C64 H50 N14 O4 -","2","2","","Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra","Dalton Transactions","2023","","","","","10.1039/D3DT02486E","","x-ray","0.71073","MoKα","","0.0513","0.0436","","","0.117","0.1222","","","","","","1.065","","","","has coordinates,has disorder","286360","2023-09-15","22:51:52",""
"7714152","8.2831","0.0017","9.6777","0.0019","10.192","0.002","73.15","0.03","76.8","0.03","80.7","0.03","757.3","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H24 N2 O8 Pt -","- C10 H24 N2 O8 Pt -","- C20 H48 N4 O16 Pt2 -","2","2","","Maier, Thomas; Wutschitz, Judith; Gajic, Natalie; Hejl, Michaela; Cseh, Klaudia; Mai, Sebastian; Jakupec, Michael; Galanski, Mathea Sophia; Keppler, Bernhard K.","Not the usual suspect – an unexpected organometallic product during the synthesis of a cytotoxic platinum(II) complex","Dalton Transactions","2023","","","","","10.1039/D3DT01736B","","x-ray","1.54186","CuKα","","0.0185","0.0178","","","0.0459","0.0462","","","","","","1.048","","","","has coordinates","286837","2023-10-06","23:06:10",""
"7714223","12.809","0.003","13.334","0.003","13.599","0.003","111.45","0.03","91.19","0.03","113.6","0.03","1942.5","1.1","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C84 H70 Cl2 Cu2 N5 O8 P4 -","- C84 H70 Cl2 Cu2 N5 O8 P4 -","- C84 H70 Cl2 Cu2 N5 O8 P4 -","1","1","","Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing","Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02242K","","","0.71073","MoKα","","0.1486","0.0845","","","0.2309","0.2804","","","","","","1.035","","","","has coordinates","286965","2023-10-13","22:55:06",""
"7714700","12.1212","0.0008","12.3376","0.0008","13.905","0.0009","99.5642","0.0009","98.4242","0.0009","113.421","0.0008","1829","0.2","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H28 Cu6 Mo12 N30 O42 Si -","- C36 H28 Cu6 Mo12 N30 O42 Si -","- C36 H28 Cu6 Mo12 N30 O42 Si -","1","1","","Hou, Yujiao; Han, Peilin; Li, Hao; Zhang, Shixing; Qin, Mengge; Zhang, Nan; Fu, Bingbing; Mao, Ruitao; Ge, Suxiang","Bifunctional 3D POM-based coordination polymers for improved pseudocapacitance and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1541","1550","10.1039/d3dt03650b","","x-ray","0.71073","MoKα","","0.0347","0.0327","","","0.0818","0.0834","","","","","","1.034","","","","has coordinates","289513","2024-02-04","11:59:49",""
"7714733","7.9269","0.0004","10.0993","0.0005","11.2121","0.0005","71.267","0.002","81.256","0.002","77.531","0.002","826.67","0.07","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N4 Ni O4 -","- C36 H46 N4 Ni O4 -","- C36 H46 N4 Ni O4 -","1","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0331","0.0297","","","0.0668","0.0683","","","","","","1.028","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714759","9.3814","0.0004","11.7093","0.0005","15.1727","0.0007","77.135","0.004","81.131","0.004","89.347","0.004","1604.99","0.13","150","2","150","2","","","","","","","","9","P 1","P 1","1","","","","- C74 H46 Cl2 F6 Mn N8 O2 P2 Sb -","- C74 H46 Cl2 F6 Mn N8 O2 P2 Sb -","- C74 H46 Cl2 F6 Mn N8 O2 P2 Sb -","1","1","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.0805","0.0766","","","0.1962","0.1998","","","","","","1.066","","","","has coordinates","289555","2024-02-04","12:12:21",""
"7714880","6.4313","0.0003","9.83","0.0005","15.7404","0.0005","100.272","0.003","99.905","0.003","97.173","0.004","952.06","0.07","150","0.1","150","0.1","","","","","","","","7","P 1","P 1","1","","","","- C32 H28 Ag F12 N10 O2 Sb -","- C32 H28 Ag F12 N10 O2 Sb -","- C32 H28 Ag F12 N10 O2 Sb -","1","1","","Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj; Lazic, Jelena; Skaro Bogojevic, Sanja; Vojnovic, Sandra; Zlatar, Matija; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Silver(I) complexes containing antifungal azoles: significant improvement of the anti-<i>Candida</i> potential of the azole drug after its coordination to the silver(I) ion.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2218","2230","10.1039/d3dt03010e","","x-ray","0.71073","MoKα","","0.0361","0.0306","","","0.054","0.0562","","","","","","0.994","","","","has coordinates","289476","2024-02-04","11:48:23",""
"7715013","10.9802","0.0005","12.7843","0.0005","15.3506","0.0007","88.028","0.001","84.166","0.001","80.584","0.001","2114.44","0.16","299","","299","","","","","","","","","8","P 1","P 1","1","","","","- C50 H49 Cl2 Cu5 N10 O52 P3 W12 -","- C50 H39 Cl2 Cu5 N10 O52 P3 W12 -","- C50 H39 Cl2 Cu5 N10 O52 P3 W12 -","1","1","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.0612","0.0556","","","0.1484","0.1564","","","","","","1.045","","","","has coordinates","290159","2024-03-04","20:12:09",""
"7715017","12.0386","0.0011","13.6743","0.0012","14.7316","0.0013","105.088","0.003","90.564","0.003","97.682","0.003","2318","0.4","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C72 H58 N12 O45 P W12 Zn2 -","- C72 H48 N12 O45 P W12 Zn2 -","- C72 H48 N12 O45 P W12 Zn2 -","1","1","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.08","0.0664","","","0.1769","0.194","","","","","","1.048","","","","has coordinates","290159","2024-03-04","20:12:11",""
"7715157","8.9975","0.0003","12.9898","0.0004","13.9898","0.0005","110.232","0.003","107.742","0.003","91.611","0.003","1444.82","0.09","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","","","","- C31 H36 Cl N2 O4 Re -","- C31 H36 Cl N2 O4 Re -","- C62 H72 Cl2 N4 O8 Re2 -","2","2","","Pivarcsik, Tamás; Kiss, Márton A; Rapuš, Uroš; Kljun, Jakob; Spengler, Gabriella; Frank, Éva; Turel, Iztok; Enyedy, Éva A","Organometallic Ru(II), Rh(III) and Re(I) complexes of sterane-based bidentate ligands: synthesis, solution speciation, interaction with biomolecules and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4984","5000","10.1039/d3dt04138g","","x-ray","0.71075","MoKα","","0.0416","0.032","","","0.0578","0.0603","","","","","","0.975","","","","has coordinates","290961","2024-04-04","23:30:49",""
"7715394","9.7049","0.0002","10.1111","0.0002","10.2297","0.0002","96.732","0.001","103.215","0.002","114.685","0.002","861.88","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H45 Al N2 -","- C43 H45 Al N2 -","- C43 H45 Al N2 -","1","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0282","0.0278","","","0.0739","0.0743","","","","","","1.036","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715480","11.4625","0.0006","13.1925","0.0007","14.4678","0.0007","67.905","0.002","83.474","0.002","70.309","0.002","1908.38","0.17","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C41 H44 N6 O5 Zn -","- C41 H44 N6 O5 Zn -","- C82 H88 N12 O10 Zn2 -","2","2","","Liu, Jiaxiang; Zhao, Yuzhen; Zhang, Zhe; Li, Manni; Song, Wenqi; Li, Wentao; Miao, Zongcheng","Circularly polarized blue fluorescence based on chiral heteroleptic six-coordinate <i>bis</i>-pyrazolonate-Zn<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6625","6630","10.1039/d4dt00086b","","","1.34139","GaKα","","0.0491","0.0385","","","0.0968","0.1016","","","","","","1.073","","","","has coordinates","291657","2024-05-05","03:16:25",""
"7715513","12.8879","0.0008","17.7778","0.0012","22.5479","0.0015","75.892","0.001","79.585","0.001","71.793","0.001","4728.7","0.5","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C170 H256 B2 Co2 Fe2 N28 O22 S2 -","- C170 H256 B2 Co2 Fe2 N28 O22 S2 -","- C170 H256 B2 Co2 Fe2 N28 O22 S2 -","1","1","","Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki","Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7190","7196","10.1039/d4dt00482e","","","0.71073","MoKα","","0.1249","0.0773","","","0.2057","0.2508","","","","","","1.013","","","","has coordinates,has disorder","291633","2024-05-05","02:55:45",""
"7715515","13.052","0.012","16.203","0.015","23.83","0.02","77.546","0.009","78.183","0.008","72.12","0.008","4631","7","200","2","200.15","","","","","","","","","8","P 1","P 1","1","","","","- C170 H250 B2 Co2 Fe2 N28 O16 S2 -","- C170 H250 B2 Co2 Fe2 N28 O16 S2 -","- C170 H250 B2 Co2 Fe2 N28 O16 S2 -","1","1","","Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki","Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7190","7196","10.1039/d4dt00482e","","x-ray","0.71073","MoKα","","0.3697","0.1631","","","0.3473","0.5171","","","","","","1.117","","","","has coordinates","291633","2024-05-05","02:55:47",""
"7715737","13.0028","0.0008","13.4308","0.0008","17.3272","0.001","92.082","0.003","110.355","0.003","114.958","0.003","2511.7","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","jpd4064","","","- C72 H162 Fe Ge2 O26 Si6 -","- C72 H162 Fe Ge2 O26 Si6 -","- C72 H162 Fe Ge2 O26 Si6 -","1","1","","Dombrowski, James P.; Kalendra, Vidmantas; Ziegler, Micah S.; Lakshmi, K. V.; Bell, Alexis T.; Tilley, T. Don","M-Ge-Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7340","7349","10.1039/d4dt00644e","","","0.71073","MoKα","","0.0302","0.0269","","","0.0582","0.0595","","","","","","1.057","","","","has coordinates","291616","2024-05-05","02:43:30",""
"8000151","7.627","0.002","12.066","0.003","12.701","0.003","63.76","0.02","82.24","0.03","80.17","0.02","1030.7","0.5","173.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C20.5 H28.5 Cl1.5 O6 -","- C20.5 H28.5 Cl1.5 O6 -","- C41 H57 Cl3 O12 -","2","2","","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","","","0.042","","","","0.092","","","","","","1.012","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000160","6.194","0.001","10.686","0.002","13.007","0.002","91.913","0.004","91.046","0.005","99.929","0.006","847.3","0.2","123.2","","","","","","","","","","","4","P 1","P 1","1","","","","- C40 H41 N O5 -","- C40 H41 N O5 -","- C40 H41 N O5 -","1","1","","Konishi, Atsuko; Wei, Weilin; Kobayashi, Masato; Fujinami, Shuhei; Ukaji, Yutaka; Inomata, Katsuhiko","Catalytic Asymmetric Addition of Alkynylzinc Reagents to Nitrones","Chemistry Letters","2007","36","1","44","","10.1246/cl.2007.44","","","0.7107","MoKα","","","0.042","","","","0.0594","","","","","","1.356","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000217","8.1432","","12.718","","5.2463","","91.85","","92.16","","74.25","","522.426","","","","","","","","","","","","","5","P 1","P 1","1","","(N H4)3 (Zr (O H)2 (P O4) (H P O4))","","- H15 N3 O10 P2 Zr -","- N3 O10 P2 Zr -","- N6 O20 P4 Zr2 -","2","2","","Wang, D.; Yu, R.; Kajiyoshi, K.; Takei, T.; Onda, A.; Yanagisawa, K.; Kinomura, N.; Kumada, N.","Non-aqueous synthesis and structure of a novel monodimensional zirconium phosphate : (N H4)3 (Zr (O H)2 (P O4) (H P O4))","Chemistry Letters","2002","2002","","398","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8000302","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0446","0.0446","","0.053","0.053","","","","3.1979","3.1979","3.1979","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000303","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0436","0.0436","","0.0522","0.0522","","","","3.1469","3.1469","3.1469","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000304","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0474","0.0474","","0.0572","0.0572","","","","3.4515","3.4515","3.4515","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000361","6.0709","0.0005","7.0907","0.0005","10.6664","0.0007","89.559","0.005","95.237","0.006","92.593","0.006","456.77","0.06","220","2","220","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0874","0.0671","","","0.1544","0.1623","","","","","","0.979","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000362","6.0538","0.0005","7.0936","0.0005","10.6609","0.0007","89.535","0.005","95.383","0.006","93.181","0.006","455.09","0.06","210","2","210","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0825","0.0625","","","0.1445","0.1529","","","","","","0.982","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000363","6.047","0.0005","7.0945","0.0005","10.6587","0.0007","89.505","0.005","95.443","0.006","93.326","0.006","454.43","0.06","205","2","205","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0848","0.0655","","","0.1519","0.1603","","","","","","0.983","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000364","6.0405","0.0005","7.0949","0.0005","10.6576","0.0008","89.484","0.006","95.509","0.006","93.428","0.006","453.82","0.06","200","2","200","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0799","0.0612","","","0.1417","0.148","","","","","","0.998","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000365","6.0307","0.0006","7.097","0.0006","10.6526","0.0009","89.391","0.007","95.588","0.008","93.571","0.007","452.88","0.07","190","2","190","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0989","0.07","","","0.1591","0.1713","","","","","","0.967","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000366","6.0076","0.0005","7.0951","0.0005","10.6488","0.0007","89.126","0.005","95.853","0.006","93.642","0.006","450.6","0.06","160","2","160","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.075","0.0582","","","0.1288","0.1341","","","","","","0.97","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000367","5.9924","0.0005","7.0915","0.0005","10.6453","0.0007","88.987","0.005","96.008","0.006","93.603","0.006","448.97","0.06","130","2","130","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0747","0.0578","","","0.1295","0.135","","","","","","0.991","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000368","5.9793","0.0005","7.0877","0.0005","10.6426","0.0007","88.93","0.005","96.108","0.006","93.52","0.006","447.59","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0743","0.0578","","","0.1295","0.1348","","","","","","0.984","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000372","6.006","0.002","7.0672","0.0008","10.657","0.006","89.92","0.02","95.2","0.06","92.71","0.02","450","0.3","296","2","293","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2342","0.1823","","","0.3995","0.4299","","","","","","1.543","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000373","5.9847","0.0014","7.0514","0.0017","10.628","0.005","90.03","0.04","95.46","0.03","93.21","0.02","445.8","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1964","0.1497","","","0.3563","0.3821","","","","","","1.307","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000374","5.9454","0.0012","7.058","0.002","10.616","0.005","90.27","0.04","95.74","0.06","94.245","0.016","442","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1399","0.1241","","","0.2996","0.3149","","","","","","1.349","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000375","5.958","0.006","7.069","0.003","10.669","0.006","90","0.09","95.21","0.17","92.76","0.06","447","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3178","0.2571","","","0.5378","0.5806","","","","","","2.044","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000376","5.9012","0.0003","7.0666","0.0003","10.625","0.003","90.369","0.011","96.279","0.012","94.712","0.004","438.88","0.13","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2813","0.2116","","","0.4565","0.5278","","","","","","2.143","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000377","5.8752","0.0014","7.0561","0.0016","10.609","0.003","90.36","0.03","96.55","0.03","94.743","0.019","435.38","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.185","","","0.3976","0.43","","","","","","1.442","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000378","5.8426","0.0011","7.0452","0.0014","10.585","0.003","90.43","0.02","96.62","0.02","94.933","0.016","431.13","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2539","0.1898","","","0.4138","0.5033","","","","","","1.995","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000379","5.8059","0.0011","7.0187","0.0007","10.556","0.003","90.42","0.02","96.96","0.03","95.048","0.012","425.26","0.15","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2303","0.1713","","","0.3955","0.4355","","","","","","1.521","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000380","5.7562","0.001","6.9942","0.0013","10.529","0.004","90.32","0.03","97.38","0.03","95.055","0.015","418.69","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.176","0.1385","","","0.3299","0.3563","","","","","","1.309","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000381","5.73","0.002","6.986","0.003","10.533","0.009","89.56","0.05","97.77","0.05","95.04","0.03","416.1","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3017","0.2494","","","0.5072","0.5613","","","","","","1.825","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000382","5.7216","0.0011","6.9763","0.0008","10.501","0.012","89.95","0.03","97.84","0.04","94.966","0.012","413.7","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2971","0.2433","","","0.5368","0.5804","","","","","","2.268","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000383","5.6799","0.0008","6.9641","0.0007","10.479","0.003","88.725","0.013","98.587","0.015","94.902","0.011","408.34","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1653","0.1587","","","0.3735","0.3847","","","","","","1.777","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000384","5.639","0.004","6.945","0.003","10.465","0.006","88.69","0.04","98.8","0.06","94.7","0.05","403.6","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.2052","","","0.4536","0.4837","","","","","","1.871","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000385","5.6089","0.0011","6.9221","0.0006","10.434","0.003","87.77","0.013","99.6","0.02","94.788","0.011","397.91","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1897","0.1866","","","0.4297","0.433","","","","","","2.18","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000386","5.571","0.003","6.8976","0.0008","10.411","0.004","87.263","0.018","100.31","0.04","94.672","0.019","392.1","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1677","0.1595","","","0.3833","0.3966","","","","","","1.948","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000388","5.744","0.003","6.981","0.004","10.557","0.016","90.04","0.1","97.92","0.1","94.77","0.04","417.8","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU-1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.347","0.2711","","","0.5372","0.5818","","","","","","1.795","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000484","16.9314","0.0009","11.7303","0.0012","41.194","0.0008","90","","90","","90","","8181.6","1","","","","","","","","","","","","5","P 1","P 1","1","","","","- C H6 Br3 N Pb -","- C10.1674 H60 Br30 N10.1674 Pb17.25 -","- C40.6694 H240 Br120 N40.6694 Pb69 -","4","4","","Wiedemann, Dennis; Breternitz, Joachim; Paley, Daniel W.; Schorr, Susan","Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr<sub>3</sub>.","The journal of physical chemistry letters","2021","12","9","2358","2362","10.1021/acs.jpclett.0c03722","","","","","","","","","","","","","","","","","","","","","has coordinates","263603","2021-04-04","10:03:51",""
"8000509","12.1314","0.0007","12.1865","0.0008","12.2183","0.0007","62.882","0.006","85.647","0.005","61.341","0.006","1387.1","0.2","173","0.1","173","0.1","","","","","","","","5","P 1","P 1","1","","1","","- C2.15 H2.5 Fe0.04 N0.15 O0.46 -","- C2.15385 H2.34615 Fe0.0384615 N0.192308 O0.423077 -","- C56 H61 Fe N5 O11 -","26","26","","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","","0.09","0.0827","","","0.2308","0.2408","","","","","","1.008","","","","has coordinates","266818","2021-06-30","23:30:46",""
"8000512","10.079","0.002","11.021","0.002","12.037","0.003","94.336","0.002","98.721","0.003","91.7938","0.0018","1316.6","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H37 Eu F12 N4 O8 -","- C55 H37 Eu F12 N4 O8 -","- C55 H37 Eu F12 N4 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0212","0.0212","","","0.0491","0.0491","","","","","","0.984","","","","has coordinates,has disorder","267651","2021-07-20","23:59:05",""
"8000513","10.198","0.004","10.878","0.004","12.588","0.005","98.433","0.006","107.288","0.004","98.919","0.004","1289.4","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H34 Br3 Eu F9 N3 O8 -","- C53 H34 Br3 Eu F9 N3 O8 -","- C53 H34 Br3 Eu F9 N3 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0224","0.0216","","","0.0458","0.0461","","","","","","0.86","","","","has coordinates","267652","2021-07-20","23:59:19",""
"8000517","10.2252","0.0015","15.936","0.002","16.583","0.003","83.578","0.002","81.734","0.002","86.63","0.002","2654.8","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H34 Eu F9 N6 O8 -","- C56 H34 Eu F9 N6 O8 -","- C112 H68 Eu2 F18 N12 O16 -","2","2","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0372","0.0322","","","0.0711","0.0733","","","","","","1.051","","","","has coordinates,has disorder","267656","2021-07-21","00:01:06",""
"8000518","10.3011","0.0007","11.0339","0.0007","12.1085","0.0008","93.001","0.001","97.851","0.001","92.865","0.001","1359.23","0.16","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H34 Cl3 Eu F9 N3 O8 -","- C55 H37 Cl3 Eu F9 N4 O8 -","- C55 H37 Cl3 Eu F9 N4 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.023","0.0229","","","0.0513","0.0514","","","","","","0.804","","","","has coordinates","267657","2021-07-21","00:01:27",""
"8000519","10.396","0.007","11.164","0.007","12.73","0.008","100.881","0.01","109.334","0.009","97.095","0.012","1341.2","1.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H43 Eu F9 N3 O11 -","- C56 H43 Eu F9 N3 O11 -","- C56 H43 Eu F9 N3 O11 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0233","0.0232","","","0.0504","0.0504","","","","","","0.893","","","","has coordinates,has disorder","267658","2021-07-21","00:01:42",""
"8100276","5.7279","0.0009","7.5393","0.0008","12.5716","0.0013","106.535","0.008","95.896","0.011","104.285","0.011","495.54","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H12 Br N O3 -","- C8 H12 Br N O3 -","- C16 H24 Br2 N2 O6 -","2","2","","Frey, Wolfgang; Bierer, Lars; Jäger, Volker","Crystal structure of (3S,4R,5R)-5-bromomethyl-3,4-isopropylidenedioxy- 3,4-dihydro-5H-pyrrole-1-oxide, C~8~H~12~BrNO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","107","108","","","","","","","","0.0379","","","0.0882","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100333","7.189","0.0014","7.764","0.0016","9.843","0.002","79.16","0.03","87.8","0.03","71.29","0.03","510.93","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H28 N2 O12 Zn -","- C14 H28 N2 O12 Zn -","- C14 H28 N2 O12 Zn -","1","1","","Zheng, Yue-Qing; Lin, Jian-Li; Jiang, Jian-Ye","Crystal structure of tetraaqua(μ-4,4'-bipyridine-N,N')zinc(II) succinate tetrahydrate, Zn(H~2~O)~4~(C~10~H~8~N~2~)(C~4~H~4~O~4~) · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","229","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100743","7.197","0.002","12.928","0.003","17.966","0.004","87.14","0.01","81.75","0.02","79.78","0.02","1627.5","0.7","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C60 H102 N6 O12 -","6","6","","Zhang, Li-Xue; Hu, Mao-Lin; Zhang, An-Jiang; Xiang, Guang-Qi","Crystal structure of 2,6,6-trimethyl-2-hydroxybicyclo[3.1.1]-3-heptanone oxime, C~10~H~17~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","494","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100775","6.406","0.001","8.532","0.002","10.226","0.002","72.38","0.03","84.03","0.03","88.24","0.03","529.8","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H31 O2 Rh -","- C25 H31 O2 Rh -","- C25 H31 O2 Rh -","1","1","","Spannenberg, Anke; Fdil, Naina; El Firdoussi, Larbi; Karim, Abdellah","Crystal structure of [(1R)-(+)-3-benzoyl-camphoryl-O,O'](cycloocta- 1,5-diene)rhodium(I), C~25~H~31~O~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","549","550","","","","","","","","0.0328","","","0.0834","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100884","14.094","0.009","21.592","0.012","13.66","0.007","107.52","0.04","101.97","0.05","80.8","0.05","3857","4","193","2","193","2","","","","","","","","8","P 1","P 1","1","","","","- C72 H86 Cl F12 Fe N2 O5 P4 -","- C72 H68 Cl F12 Fe N2 O5 P4 -","- C144 H136 Cl2 F24 Fe2 N4 O10 P8 -","2","2","","Pajunen, A.; Mutikainen, I.; Haikarainen, A.; Sipilä, J.","Crystal structure of chloro{2,2'-[(R,R)-cyclohexane-1,2-diylbis (nitrilomethylidyne)]-bis[6-tert-butyl-4-(triphenylphosphoniomethyl) phenolato]-O,N,N',O'}-iron(III) bis(hexafluorophosphate) tris(ethanol) solvate, [Fe(C~66~H~68~N~2~O~2~P~2~)Cl](PF~6~)~2~ · 3C~2~H~6~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100888","4.8085","0.0007","5.3115","0.0007","5.6116","0.0008","65.307","0.006","76.451","0.006","63.859","0.007","116.68","0.03","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- H3 Hg I O6 -","- H3 Hg I O6 -","- H3 Hg I O6 -","1","1","","Mormann, Thomas J.; Jeitschko, Wolfgang","Crystal structure of mercury(II) trihydrogenhexaoxoiodate(VII), HgH~3~IO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","1","2","10.1524/ncrs.2001.216.14.1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101004","8.215","0.002","9.826","0.003","21.721","0.006","94.987","0.007","96.316","0.006","90.005","0.006","1735.9","0.8","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H18 N2 O9 -","- C16 H18 N2 O9 -","- C64 H72 N8 O36 -","4","4","","Dai, Qing; Piccirilli, Joseph A.; Zheng, Chong; Li, Shoujian","Crystal structure of 3',5'-di-O-acetyl-2'-C-α-acetyl-oxymethyl- 2,2'-anhydro-1-(β-D-arabinofuranosyl)uracil, C~16~H~18~N~2~O~9~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","343","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101184","8.2006","0.0015","9.368","0.002","10.141","0.002","76.382","0.014","67.417","0.014","71.612","0.014","676.8","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H35 N O11 S2 -","- C19 H35 N O11 S2 -","- C19 H35 N O11 S2 -","1","1","","Frey, Wolfgang; Blanarikova, Iva; Zimmermann, Peter Jan; Jäger, Volker","Crystal structure of (2S,3R,4S,1'R,2'S)-3,4-dimethanesulfonyloxy-2- [2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5,5- dimethyltetrahydrofuran, C~19~H~3~5NO~11~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","129","130","","","","","","","","0.042","","","0.1155","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101233","8.961","0.002","16.663","0.003","18.08","0.008","94.83","","95.82","0.03","98.23","0.02","2645","1","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- C32 H27 N P2 -","- C32 H29 N P2 -","- C128 H116 N4 P8 -","4","4","","Robert, Frédéric; Gimbert, Yves; Averbuch-Pouchot, Marie-Thér; Greene, Andrew","Crystal structure of <i>N,N</i>-bis(diphenylphosphino)-<i>N</i>-( (S)-α-methylbenzyl)amine, C~32~H~29~NP~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","233","236","","","","","","","","0.0344","","","0.0293","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101416","6.4522","0.001","6.4547","0.0015","8.3603","0.0017","82.504","0.011","82.56","0.02","80.982","0.017","338.82","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- B2 H6 Mg4 O20 P4 -","- B2 Mg4 O20 P4 -","- B2 Mg4 O20 P4 -","1","1","","Hauf, Cornelia; Boy, Insan; Kniep, Rüdiger","Crystal structure of dimagnesium (monohydrogenmonophosphate- dihydrogenmonoborate-monophosphate), Mg~2~[BP~2~O~7~(OH)~3~]","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","3","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101459","7.0746","0.0002","8.8235","0.0003","16.0023","0.0008","84.671","0.005","89.926","0.004","85.615","0.006","991.66","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C40 H58 Cl2 N4 O4 -","2","2","","Csöregh, Ingeborg; Sandberg, Rune","Crystal structure and absolute configuration of 1'-[3-(diethylamino) propyl]-3,4-dihydrospiro[naphthalene-1(2H),3'-pyrrolidine-2',5'-dione hydrochloride, RAC-109 I ·HCl, C20H28N2O2 · HCl","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","227","229","","","","","","","","0.038","","","0.043","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101740","6.894","0.003","9.185","0.002","12.07","0.004","76.01","0.02","88.34","0.02","86.87","0.03","740.4","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","R-(-)-clenbuterol","R-(-)-1-(4-amino-3,5-dichloro-phenyl)-2-tert-butylaminoethanol hydrochloride","","- C12 H19 Cl3 N2 O -","- C12 H19 Cl3 N2 O -","- C24 H38 Cl6 N4 O2 -","2","2","","G.-V. Röschenthaler; E. Lork; D. V. Sevenard; W. Greb","Crystal structures of R-(-)- and S-(+)-1-(4-amino-3,5-dichlorophenyl)- 2-tert-butylaminoethanol hydrochloride, (C~12~H~19~Cl~2~N~2~O)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","180","182","","","","0.71073","MoKα","","0.079","0.0576","","","0.1538","0.1704","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101879","6.2202","0.0007","9.416","0.0011","10.3386","0.0018","109.186","0.002","105.136","0.002","103.455","0.002","517.27","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","","(1,10-phenanthroline)(N-p-tolylsulfonyl-serinato)copper(II)","","- C22 H19 Cu N3 O5 S -","- C22 H19 Cu N3 O5 S -","- C22 H19 Cu N3 O5 S -","1","1","","Wang, J.-G.; Ma, L.-F.; Wang, L.-Y.; Wang, Y.-H.; Liu, R.","Crystal structure of (1,10-phenanthroline)(N-tosylserinato)copper (II), Cu(C~12~H~8~N~2~)(C~10~H~11~NO~5~S)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","606","608","","","","0.71073","MoKα","","0.0229","0.0226","","","0.0591","0.0592","","","","","","1.05","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101998","10.0989","0.0002","12.8084","0.0001","12.8423","0.0002","65.074","0.001","84.31","","87.854","0.001","1498.99","0.04","293","2","293","2","","","","","","","","6","P 1","P 1","1","","diiodo-bis[(4R,5R)-trans-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3- dioxalane]dicopper(I)","","- C62 H64 Cu2 I2 O4 P4 -","- C62 H64 Cu2 I2 O4 P4 -","- C62 H64 Cu2 I2 O4 P4 -","1","1","","Deng, Y.-H.; Yang, Y.-L.; Yang, X.-J.","Crystal structure of diiodo-bis[(4R,5R)-trans-4,5-bis[(diphenylphosphinomethyl)- 2,2-dimethyl-1,3-dioxalane]dicopper(I), Cu~2~I~2~(C~31~H~32~O~2~P~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","316","318","","","","0.71073","MoKα","","0.0447","0.0359","","","0.0927","0.0976","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102103","5.2719","0.0013","7.2944","0.0019","7.5948","0.0019","79.286","0.003","70.251","0.003","71.238","0.003","259.3","0.11","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C11 H12 O5 -","1","1","","Tan, S.-S.; Wen, H.-L.; Liu, C.-B.; Peng, X.-P.; Li, X.-S.","Crystal structure of 3-(4-(carboxymethoxy)phenyl)propanoic acid, C~11~H~12~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","137","138","","","","0.71073","MoKα","","0.0552","0.0396","","","0.093","0.1033","","","","","","1.085","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8103384","7.76","","8.85","","8.23","","100.18","","90.72","","103.83","","539.289","","","","","","","","","","","","","4","P 1","P 1","1","","Silver antimony bismuth sulfide (.8/.6/.3/2)","","- Ag0.83 Bi0.33 S2 Sb0.625 -","- Ag0.833333 Bi0.333333 S2 Sb0.625 -","- Ag5 Bi2 S12 Sb3.75 -","6","6","","Nowacki, W.; Mullen, D.J.E.","The crystal structure of Aramayoite Ag (Sb, Bi) S2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","139","","54","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103436","12.123","","13.42","","10.783","","104.36","","97.45","","108.03","","1574.93","","","","","","","","","","","","","2","P 1","P 1","1","","Au1.89 Te2.95","","- Au1.89083 Te3.03167 -","- Au1.89083 Te3.03167 -","- Au22.69 Te36.38 -","12","12","","Edenharter, A.; Bente, K.; Steins, M.","Strukturuntersuchungen an Montbrayit, Au2 Te3","Zeitschrift fuer Kristallographie, Supplement Issue","1991","3","","63","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103549","6.285","","6.364","","11.647","","94.61","","98.51","","103.93","","443.898","","","","","","","","","","","","","3","P 1","P 1","1","","Tl3 (Sb S4)","","- S4 Sb Tl3 -","- S4 Sb Tl3 -","- S8 Sb2 Tl6 -","2","2","","Gostojic, M.; Engel, P.; Nowacki, W.","The crystal structure of synthetic Tl3 Sb S4","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","299","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103619","8.923","","8.942","","7.709","","54.4","","125.3","","90.6","","355.561","","","","","","","","","","","","","3","P 1","P 1","1","","K (I O3)","","- I K O3 -","- I K O3 -","- I4 K4 O12 -","4","4","","Hamid, S.A.","Symmetrie von K I O3 und die Struktur der Zimmertemperaturphase","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1973","137","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103721","5.517","","5.255","","4.488","","98.73","","98.33","","103.81","","122.647","","","","","","","","","","","","","3","P 1","P 1","1","","Fe2 (P2 O7)","","- Fe2 O7 P2 -","- Fe2 O7 P2 -","- Fe2 O7 P2 -","1","1","","Stefanidis, T.; Nord, A.G.","The crystal structure of iron(II) diphosphate, Fe2 P2 O7","Zeitschrift fuer Kristallographie (149,1979-)","1982","159","","255","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","151686","2020-10-21","18:00:00",""
"8104079","7.8414","","23.671","","13.7702","","90.037","","90.284","","89.999","","2555.91","","","","","","","","","","","","","3","P 1","P 1","1","","Cu Pb3 Br7","","- Br7 Cu Pb3 -","- Br7 Cu0.998625 Pb3 -","- Br56 Cu7.989 Pb24 -","8","8","","Oldag, T.; Keller, H.L.","Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104119","6.8919","","6.9139","","9.6196","","109.64","","97","","109.62","","392.149","","","","","","","","","","","","","5","P 1","P 1","1","","Nd (N H2 S O3) (S O4) (H2 O)1.5","","- H5 N Nd O8.5 S2 -","- N Nd O8.5 S2 -","- N2 Nd2 O17 S4 -","2","2","","Wickleder, M.S.","Nd (N H2 S O3) (S O4) * 1.5 H2 O: a non-centrosymmetric amidosulfate-sulfate of neodymium","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","192","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104337","16.32","","42.636","","8.543","","83.98","","89.06","","83.2","","5869.97","","","","","","","","","","","","","5","P 1","P 1","1","","Pb4 Sb21 Tl8 As19 S68","","- As19 Pb4 S68 Sb21 Tl8 -","- As19 Pb4 S68 Sb21 Tl8 -","- As19 Pb4 S68 Sb21 Tl8 -","1","1","","Nagl, A.","The crystal structure of a thallium sulfosalt Tl8 Pb4 Sb21 As19 S68","Zeitschrift fuer Kristallographie (149,1979-)","1979","150","","85","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","172577","2020-10-21","18:00:00",""
"8104527","5.867","0.003","4.927","0.003","7.524","0.004","93","0.1","113.1","0.1","90.1","0.1","199.7","0.2","","","293","","","","","","","","","4","P 1","P 1","1","","","","- Al H O10 Si4 -","- Al O10 Si4 -","- Al O10 Si4 -","1","1","","Effenberger, H.; Fuess, H.; Muller, G.; Vogt, T.","Crystal structure and hydrogen bonding in Li/H-exchanged petalite, HAlSi4O10","Zeitschrift fur Kristallographie","1991","197","","27","40","10.1524/zkri.1991.197.14.27","","x-ray","0.71069","MoKα","","","0.053","","","0.045","","","","","","","","","","","has coordinates","197608","2020-10-21","18:00:00",""
"8104725","7.1486","0.0003","7.8265","0.0003","13.6579","0.0005","81.085","0.003","77.487","0.004","73.335","0.004","711.13","0.05","290","1","290","1","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 Cl2 N O2 -","- C13 H17 Cl2 N O2 -","- C26 H34 Cl4 N2 O4 -","2","2","","Luelf, U. Joost; Reiss, Guido J.; Bokel, Ansgar; Urlacher, Vlada B.","Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C13H17Cl2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","827","829","10.1515/ncrs-2021-0055","","","0.71073","MoKα","","0.094","0.0536","","","0.0739","0.0878","","","","","","1.008","","","","has coordinates","273602","2022-03-10","10:18:56",""
"8104909","9.62498","0.00007","11.78239","0.0001","12.74349","0.00013","78.7411","0.0008","73.5635","0.0008","76.6096","0.0001","1335.34","0.02","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C26 H40 Au F N O P S -","- C26 H40 Au F N O P S -","- C52 H80 Au2 F2 N2 O2 P2 S2 -","2","2","","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k1 S]gold(I), C26H40AuFNOPS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","157","161","10.1515/ncrs-2020-0399","","","1.54184","CuKα","","0.0226","0.0224","","","0.0554","0.0557","","","","","","1.042","","","","has coordinates,has disorder","274063","2022-03-29","07:30:33",""
"8105360","6.6084","0.0009","10.8811","0.0016","12.0845","0.0016","85.719","0.006","79.547","0.005","89.903","0.005","852.1","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","isopimara-7,15-dien-3-one","","- C20 H30 O -","- C20 H30 O -","- C40 H60 O2 -","2","2","","Dong, Ming-Hong; Ye, Jiang-Hai; Zhao, Chen-Liang; Zhou, Lang; Zou, Juan; Zhang, Jing-Jie","Crystal structure of isopimara-7,15-dien-3-one, C20H30O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1003","1005","10.1515/ncrs-2020-0037","","","0.71076","MoKα","","0.0839","0.0744","","","0.1841","0.1953","","","","","","0.722","","","","has coordinates","275876","2022-06-07","08:47:27",""
"8105996","6.3703","0.0005","6.4191","0.0005","12.3215","0.0007","87.841","0.005","75.119","0.006","87.489","0.006","486.3","0.06","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H21 Ag2 N5 O8 S2 -","- C12 H21 Ag2 N5 O8 S2 -","- C12 H21 Ag2 N5 O8 S2 -","1","1","","Jiang, Jin-Ke; Li, Xi-Xi; Jiang, Hui; Dong, Xian-Wu","Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ3N,O:O′)-(μ4-hexamethylenetetramino-κ4N:N′:N′′:N′′′)disilver(I)] monohydrate, C12H21Ag2N5O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1251","1252","10.1515/ncrs-2019-0372","","","0.71073","MoKα","","0.0471","0.0444","","","0.1155","0.1289","","","","","","1.075","","","","has coordinates","279075","2022-11-08","08:03:26",""
"8106127","7.8545","0.0006","10.8802","0.0009","12.3714","0.0009","73.2","0.007","75.372","0.006","71.091","0.007","942.65","0.14","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H34 N4 O -","- C2.10526 H3.57895 N0.421053 O0.105263 -","- C40 H68 N8 O2 -","19","19","","Cheng, Xing-An; Zhan-Mei, Liu; Bo, Wu; Su-Qing, Huang; Xia-Ling, Xiong; Xu-Hong, Jiang","The crystal structure of a matrine derivative: 41 S,7aS,12S,13aR,13bR)-12-(4-methylpiperazin-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one, C20H34N4O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","283","285","10.1515/ncrs-2017-0282","","","1.54178","CuKα","","0.0598","0.0591","","","0.1632","0.1641","","","","","","1.026","","","","has coordinates","279347","2022-11-17","08:31:00",""
"8106452","9.6569","0.0004","10.9361","0.0004","13.8551","0.0006","113.198","0.003","95.632","0.004","91.114","0.003","1335.72","0.1","150","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H72 N2 O12 -","- C60 H72 N2 O12 -","- C60 H72 N2 O12 -","1","1","","Wu, Xiangxiang; Zai, Yanbing","Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C60H72N2O12","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","117","119","10.1515/ncrs-2016-0177","","","","MoKα","","0.056","0.0512","","","0.1335","0.138","","","","","","1.042","","","","has coordinates","280302","2023-01-12","10:22:50",""
"8106647","3.8976","0.0006","5.7235","0.0008","6.267","0.001","89.63","0.012","84.8","0.013","76.97","0.013","135.63","0.04","104.8","","104.8","","","","","","","","","4","P 1","P 1","1","1-methyl-4-nitroimidzole","1-methyl-4-nitroimidzole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","1","1","","Jianlong, Wang; Pengbao, Lian; Lizhen, Chen","Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","699","700","10.1515/ncrs-2017-0020","","","0.7107","MoKα","","0.0534","0.0519","","","0.1277","0.1303","","","","","","1.063","","","","has coordinates","280726","2023-02-01","08:56:21",""
"8106729","6.6666","0.0003","6.6892","0.0004","8.8779","0.0006","101.34","0.005","99.624","0.005","91.279","0.004","382.09","0.04","294.28","0.15","294.28","0.15","","","","","","","","6","P 1","P 1","1","","","","- C10 H17 Cl N2 O10 Sn -","- C10 H17 Cl N2 O10 Sn -","- C10 H17 Cl N2 O10 Sn -","1","1","","Fu, Zhihai; Chen, Bo; He, Aidang; Lv, Xia; Wei, Xin; Feng, Xiaojie; Huang, Chao; Xia, ChuanQin; Jin, Yongdong","The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","941","942","10.1515/ncrs-2017-0092","","x-ray","0.71073","MoKα","","0.0318","0.0318","","","0.0725","0.0726","","","","","","1.027","","","","has coordinates","280830","2023-02-08","10:28:53",""
"8106999","6.002","0.0012","6.765","0.0014","11.831","0.002","89.39","0.03","86.29","0.03","66.5","0.03","439.55","0.18","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H20 F2 N4 O3 S -","- C17 H20 F2 N4 O3 S -","- C17 H20 F2 N4 O3 S -","1","1","","Wang, Kun-Yan; Yang, Xiao-Li","This molecule targets at type 2 diabetes - a single crystal study on (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl] tetrahydro-2H-pyran-3-amine (Omarigliptin), C17H20F2N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","763","765","10.1515/ncrs-2015-0260","","","0.71073","MoKα","","0.0611","0.0543","","","0.1506","0.1568","","","","","","1.002","","","","has coordinates","282206","2023-04-03","08:26:03",""
"8107160","6.9678","0.0008","10.7614","0.0014","13.0503","0.0014","76.87","0.003","88.004","0.004","87.275","0.004","951.6","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H22 F3 N3 O S -","- C20 H22 F3 N3 O S -","- C40 H44 F6 N6 O2 S2 -","2","2","","Al-Wahaibi, Lamya H.; Ghabbour, Hazem A.; Al-Omary, Fatmah A. M.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 5-(adamantan-1-yl)-3-[(4-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","587","591","10.1515/ncrs-2022-0144","","","0.71073","MoKα","","0.067","0.0629","","","0.1596","0.1626","","","","","","1.107","","","","has coordinates","283643","2023-05-10","06:59:27",""
"8107500","6.3144","0.0008","9.7315","0.0013","10.5867","0.0014","111.561","0.004","96.486","0.004","97.128","0.004","591.41","0.14","273","2","273","2","","","","","","","","4","P 1","P 1","1","","1-((3<i>R</i>,10<i>S</i>,13<i>S</i>,17<i>S</i>)-10,13- dimethyl-3-(m-tolylamino)hexadecahydro-1<i>H</i>- cyclopenta[<i>α</i>]phenanthren-17-yl)ethan-1-one","","- C28 H41 N O -","- C28 H41 N O -","- C28 H41 N O -","1","1","","Zhao, Jin-Feng; Zhang, Wen-Wen; Ye, Jiang-Hai; He, Kang; Zou, Juan","Synthesis and crystal structure of 1-((3R,10S,13S,17S)-10,13-dimethyl-3-(m-tolylamino)hexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","579","581","10.1515/ncrs-2023-0105","","","0.71073","MoKα","","0.1444","0.0579","","","0.1358","0.1687","","","","","","0.995","","","","has coordinates","286373","2023-09-18","07:23:29",""
"8107515","4.8813","0.0002","6.7806","0.0002","10.3135","0.0002","98.101","0.002","94.174","0.002","97.612","0.003","333.515","0.018","160","2","160","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H10 Cl N3 O3 -","- C14 H10 Cl N3 O3 -","- C14 H10 Cl N3 O3 -","1","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 4-chloro-N′-[(1E)-(2-nitrophenyl)methylidene]benzohydrazide, C14H10ClN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","631","633","10.1515/ncrs-2023-0125","","x-ray","1.54184","CuKα","","0.0273","0.027","","","0.0741","0.0743","","","","","","1.109","","","","has coordinates","286404","2023-09-19","07:32:44",""
"8107561","8.7","0.005","9.188","0.005","9.722","0.006","91.61","0.006","91.436","0.006","100.925","0.006","762.4","0.8","296","2","296.15","","","","","","","","","5","P 1","P 1","1","","(E)-N'-(2-bromobenzylidene)-2-naphthohydrazide","","- C36 H26 Br2 N4 O2 -","- C36 H26 Br2 N4 O2 -","- C36 H26 Br2 N4 O2 -","1","1","","Yuan, Lin; Deng, Shao-Wen; Liu, Fang; Li, Zhong-Yan","The crystal structure of (E)-N ′-(2-bromobenzylidene)-2-naphthohydrazide, C36H26Br2N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","783","785","10.1515/ncrs-2023-0208","","","0.71073","MoKα","","0.0438","0.0381","","","0.0985","0.1016","","","","","","1.01","","","","has coordinates","286560","2023-09-27","09:12:11",""
"8107653","6.398","0.006","10.779","0.01","12.03","0.011","71.103","0.01","89.519","0.011","74.154","0.011","752.2","1.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H37 N O6 -","- C34 H37 N O6 -","- C34 H37 N O6 -","1","1","","Zhang, Nuo; Guo, Shuo-Nan; Du, Liang-Qi; Ren, Xiao-Yu","Crystal structure of (2S,3S,4S,5S, Z)-2,3,5,6-tetrakis(benzyloxy)-4-hydroxyhexanal oxime, C34H37NO6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1035","1037","10.1515/ncrs-2023-0174","","","0.71073","MoKα","","0.0789","0.0599","","","0.1492","0.1614","","","","","","1.248","","","","has coordinates","287725","2023-11-22","09:00:26",""
"8107707","7.332","0.0003","11.8132","0.0004","13.1604","0.0005","99.191","0.001","95.039","0.001","95.856","0.001","1113.06","0.07","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(3<i>E</i>,5<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>Z</i>)-17-ethylidene -10,13-dimethylhexadecahydro-3<i>H</i>-cyclopenta[<i>α</i>]phenanthren -3-one <i>O</i>-(methacryloyl) oxime","","- C50 H74 N2 O4 -","- C50 H74 N2 O4 -","- C50 H74 N2 O4 -","1","1","","Wei, Peng; Zhao, Jin-Feng; Zou, Juan; Ye, Jiang-Hai; He, Kang; Xu, Hong","Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1219","1222","10.1515/ncrs-2023-0413","","","0.71073","MoKα","","0.1805","0.0662","","","0.1294","0.1655","","","","","","0.988","","","","has coordinates","287970","2023-12-04","09:27:53",""
"9000464","9.064","","9.83","","9.078","","90","","109.5","","107.8","","721.242","","","","","","","","","","","","","3","P 1","P 1","1","","","Sinnerite","- As4 Cu6 S9 -","- As4 Cu6 S9 -","- As8 Cu12 S18 -","2","2","","Makovicky, E.; Skinner, B. J.","Studies of the sulfosalts of copper. IV. Structure and twinning of sinnerite, Cu6As4S9","American Mineralogist","1975","60","","998","1012","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000566","5.886","","5.886","","5.886","","90","","90","","90","","203.92","","","","","","","","","","","","","6","P 1","P 1","1","","","Ullmannite","- As0.195 Bi0.02 Co0.06 Ni1.94 S1.97 Sb1.815 -","- As0.195 Bi0.02 Co0.06 Ni1.94 S1.97 Sb1.815 -","- As0.39 Bi0.04 Co0.12 Ni3.88 S3.94 Sb3.63 -","2","2","","Bayliss, P.","Crystal structure refinement of arsenian ullmannite","American Mineralogist","1977","62","","369","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000595","5.4166","","5.4166","","5.4166","","90","","90","","90","","158.921","","","","","","","","","","","","","2","P 1","P 1","1","","","Pyrite","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","4","","Bayliss, P.","Crystal structure refinement of a weakly anisotropic pyrite","American Mineralogist","1977","62","","1168","1172","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000789","7.588","","9.793","","7.339","","111.77","","103.5","","86.53","","492.263","","","","","","","","","","","","Caxias do Sul, Rio Grande do Sul, Brazil","4","P 1","P 1","1","","","Nekoite","- Ca3 H14 O22 Si6 -","- Ca3 H14 O22 Si6 -","- Ca3 H14 O22 Si6 -","1","1","","Alberti, A.; Galli, E.","The structure of nekoite, Ca3Si6O15*7H2O, a new type of sheet silicate","American Mineralogist","1980","65","","1270","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9000882","17.495","","6.487","","6.313","","60.77","","79.56","","83.96","","614.766","","","","","","","","","","","","Iberville Parish, Louisiana, USA","5","P 1","P 1","1","","","Hilgardite-3A","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","- B15 Ca6 Cl3 H6 O30 -","3","3","","Wan, C.; Ghose, S.","Parahilgardite, Ca6[B5O9]3Cl3*3H2O: a triclinic piezoelectric zeolite-type pentaborate","American Mineralogist","1983","68","","604","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001396","6.7507","","13.495","","6.75","","90.13","","91.15","","90.18","","614.801","","","","","","","","","","","","","5","P 1","P 1","1","","","","- Cl3 Cs H12 Mg O6 -","- Cl3 Cs H12 Mg O6 -","- Cl6 Cs2 H24 Mg2 O12 -","2","2","","Waizumi, K.; Masuda, H.; Ohtaki, H.; Scripkin, M. Y.; Burkov, K. A.","Crystallographic investigations of [Mg(H2O)6]XCl3 double salts (X = K, Rb, Cs, NH4): Crystal structure of [Mg(H2O)6]CsCl3 Note: modified perovskite structure","American Mineralogist","1991","76","","1884","1888","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001991","11.407","","20.952","","7.406","","93.941","","100.75","","80.499","","1713.8","","","","","","","","","","","","","2","P 1","P 1","1","","","Hartite","- C20 H34 -","- C20 H34.5 -","- C80 H138 -","4","4","","Bouska, Vladimir; Cisarova, Ivana; Skala, Roman; Dvorak, Zdenek; Zelinka, Jaroslav; Zak, Karel","Hartite from Bilina","American Mineralogist","1998","83","11-12","1340","1346","10.2138/am-1998-11-1224","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002779","5.18","","8.98","","15","","90","","90","","90","","697.746","","","","","","","","","","","","","4","P 1","P 1","1","","","Montmorillonite","- Al2 Ca0.5 O12 Si4 -","- Al2 Ca0.5 O12 Si4 -","- Al4 Ca O24 Si8 -","2","2","","Viani, A.; Gualtieri, A.; Artioli, G.","The nature of disorder in montmorillonite by simulation of X-ray powder patterns Note: Structural simulation model","American Mineralogist","2002","87","","966","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9003099","8.6121","","4.9579","","7.604","","89.892","","114.423","","89.955","","295.621","","","","303.15","","","","","","","","","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 30 C","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003100","8.614","","4.9721","","7.551","","89.753","","114.273","","90.154","","294.814","","","","553.15","","","","","","","","","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O6.715 Si2 -","- Al H1.43 Li O6.715 Si2 -","- Al2 H2.86 Li2 O13.43 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 280 C","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003101","8.6269","","4.9871","","7.5718","","89.765","","114.097","","90.16","","297.372","","","","","","","","","","","","","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O6.385 Si2 -","- Al H0.77 Li O6.385 Si2 -","- Al2 H1.54 Li2 O12.77 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 400","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003102","8.6274","","4.9898","","7.5729","","89.737","","114.072","","90.169","","297.651","","","","","","","","","","","","","4","P 1","P 1","1","","","Bikitaite","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al2 Li2 O12 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 468","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9004095","8.966","","8.98","","6.73","","102.72","","116.65","","60.66","","422.176","","","","","","","","","","","","St. Michel, Montreal Island, Quebec, Canada","7","P 1","P 1","1","","","Weloganite","- C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr -","- C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr -","- C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr -","1","1","","Grice, J. D.; Perrault, G.","The crystal structure of triclinic weloganite Note: y-coordinate of Sr2 changed.","The Canadian Mineralogist","1975","13","","209","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004268","12.746","","13.019","","9.693","","102.24","","102.1","","85.61","","1536.1","","","","","","","","","","","","","5","P 1","P 1","1","","","Pringleite","- B26 Ca9 Cl4 H35 O71 -","- B26 Ca9 Cl4 H35 O71 -","- B26 Ca9 Cl4 H35 O71 -","1","1","","Grice, J. D.; Burns, P. C.; Hawthorne, F. C.","Determination of the megastructures of the borate polymorphs pringleite and ruitenbergite Note: Cell angles modified by Grice, June 2002","The Canadian Mineralogist","1994","32","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004467","20.9391","","12.1","","16.345","","103.87","","115.37","","90.27","","3605.39","","","","","","","","","","","","","6","P 1","P 1","1","","","Richetite","- Fe0.47 H24 Mg0.83 O173 Pb8.74 U36 -","- Fe0.47 H82 Mg0.83 O173 Pb8.74 U36 -","- Fe0.47 H82 Mg0.83 O173 Pb8.74 U36 -","1","1","","Burns, P. C.","The structure of richetite, a rare lead uranyl oxide hydrate","The Canadian Mineralogist","1998","36","","187","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004646","5.4206","","7.0846","","20.3641","","86.89","","94.42","","89.94","","778.553","","","","","","","","","","","","","13","P 1","P 1","1","","","Quadruphite","- Ca1.44 F2 Fe0.1 Mg0.5 Mn0.85 Na13.59 Nb0.44 O34 P4 Si4 Sr0.06 Ti2.55 Zr0.47 -","- Ca1.44 F2 Fe0.1 Mg0.5 Mn0.85 Na13.59 Nb0.44 O34 P4 Si4 Sr0.06 Ti2.55 Zr0.47 -","- Ca1.44 F2 Fe0.1 Mg0.5 Mn0.85 Na13.59 Nb0.44 O34 P4 Si4 Sr0.06 Ti2.55 Zr0.47 -","1","1","","Sokolova, E. V.; Hawthorne, F. C.","The crystal chemistry of the [M3_11-14] trimeric structures: From hyperagpaitic complexes to saline lakes","The Canadian Mineralogist","2001","39","","1275","1294","10.2113/gscanmin.39.5.1275","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004672","7.51","","7.897","","9.774","","79.279","","81.269","","87.251","","562.827","","","","","","","","","","","","","4","P 1","P 1","1","","","","- Cs4 Mo3 O20 U3 -","- Cs4 Mo3 O20 U3 -","- Cs4 Mo3 O20 U3 -","1","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. VI. New uranyl molybdate units in the structures of Cs4[(UO2)3O(MoO4)2(MoO5)] and Cs6[(UO2)(MoO4)4]","The Canadian Mineralogist","2002","40","","201","209","10.2113/gscanmin.40.1.201","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004787","5.2533","","8.7411","","12.948","","70.466","","78.472","","89.932","","547.653","","","","","","","","","","","","Khibina Alkaline Massif, Kola Penninsula, Russia","9","P 1","P 1","1","","","Paravinogradovite","- Al0.1 Be0.3 Fe0.48 H10 K0.13 Na2.07 O27.17 Si7.6 Ti3.52 -","- Al0.1 Be0.3 Fe0.48 H6.34 K0.13 Na2.07 O27.17 Si7.6 Ti3.52 -","- Al0.1 Be0.3 Fe0.48 H6.34 K0.13 Na2.07 O27.17 Si7.6 Ti3.52 -","1","1","","Khomyakov, A. P.; Kulikova, I. E.; Sokolova, E. V.; Hawthorne, F. C.; Kartashov, P. M.","Paravinogradovite, (Na,_)2[(Ti,Fe)4{Si2O6}2{Si3AlO10}(OH)4]H2O, a new mineral species from the Khibina Alkaline Massif, Kola Penninsula, Russia: Description and crystal structure Locality: Khibina Alkaline Massif, Kola Penninsula, Russia","The Canadian Mineralogist","2003","41","","989","1002","10.2113/gscanmin.41.4.989","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005288","6.0885","","7.2832","","7.7234","","115.71","","88.85","","92.89","","308.186","","","","","","","","","","","","","4","P 1","P 1","1","","","","- Al3 H3 O10 Si2 -","- Al3 H3 O10 Si2 -","- Al6 H6 O20 Si4 -","2","2","","Daniels, P.; Wunder, B.","Al3Si2O7(OH)3, phase Pi (formerly piezotite): Crystal structure of a synthetic high-pressure silicate rediscovered","European Journal of Mineralogy","1996","8","","1283","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005406","5.445","","5.873","","5.104","","114.95","","93.05","","91.92","","147.494","","","","","","","","","","","","","4","P 1","P 1","1","","","Gilmarite","- As Cu3 H3 O7 -","- As Cu3 H3 O7 -","- As Cu3 H3 O7 -","1","1","","Sarp, H.; Cerny, R.","Gilmarite, Cu3(AsO4)(OH)3, a new mineral: its description and crystal structure","European Journal of Mineralogy","1999","11","","549","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:21",""
"9005576","8.607","","4.956","","7.601","","89.98","","114.38","","89.98","","295.318","","","","","","","","100","","","","King's Mountain, North Carolina, USA","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","Effects of pressure on the structure of bikitaite P = 0.0001 GPa","European Journal of Mineralogy","2003","15","","247","255","10.1127/0935-1221/2003/0015-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005577","8.543","","4.852","","7.377","","89.65","","114.74","","90.34","","277.708","","","","","","","","3200000","","","","King's Mountain, North Carolina, USA","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","Effects of pressure on the structure of bikitaite P = 3.2 GPa","European Journal of Mineralogy","2003","15","","247","255","10.1127/0935-1221/2003/0015-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:30",""
"9005578","8.605","","4.957","","7.606","","89.93","","114.4","","89.85","","295.455","","","","","","","","100","","","","King's Mountain, North Carolina, USA","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","Effects of pressure on the structure of bikitaite P = 0.0001 GPa after decompression","European Journal of Mineralogy","2003","15","","247","255","10.1127/0935-1221/2003/0015-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006293","4.8452","","6.9852","","7.0237","","113.811","","77.951","","76.701","","199.134","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","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: 10","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006297","5.8657","","5.1519","","5.3377","","92.6936","","90.7338","","90.0688","","161.111","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","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: 14","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006298","5.098","","5.2954","","6.9599","","110.92","","107.558","","83.9309","","167.327","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","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: 15","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006300","5.5569","","5.2463","","5.9716","","88.5667","","114.226","","94.0951","","158.353","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","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: 17","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006303","5.4515","","5.3227","","5.8091","","77.9812","","82.2353","","54.5766","","134.326","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","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: 20","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006304","4.7209","","4.5622","","6.0394","","90.9053","","93.3589","","105.959","","124.778","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","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: 21","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006307","4.6409","","5.2953","","6.7956","","111.506","","93.9553","","90.7337","","154.874","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","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: 24","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007424","5.434","","5.434","","7.153","","90","","90","","120","","182.919","","","","","","","","","","","","","4","P 1","P 1","1","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","1","","Auzende, A. L.; Pellenq, R. J. M.; Devouard, B.; Baronnet, A.; Grauby, O.","Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite Note: 1T polytype Note: Hypothetical structure derived using semi-empirical potentials","Physics and Chemistry of Minerals","2006","33","","266","275","10.1007/s00269-006-0078-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007769","6.501","","7.882","","7.501","","107.18","","95.5","","116.2","","317.797","","","","153","","","","","","","","","4","P 1","P 1","1","","","","- H4 K O7 V -","- H4 K O7 V -","- H8 K2 O14 V2 -","2","2","","Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Schwendt, P.; Gyepesova, D.","Structure of dipotassium aquadioxotetraperoxodivanadate(V) trihydrate Sample: T = 153 K","Acta Crystallographica, Section C","1990","46","","738","741","10.1107/S0108270189009303","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007879","9.599","","15.344","","8.944","","100.47","","113.93","","81.37","","1179.77","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C30 Co4 N24 O2 -","- C30 Co4 N24 O2 -","- C30 Co4 N24 O2 -","1","1","","Takazawa, H.; Ohba, S.; Saito, Y.; Ichida, H.; Rasmussen, K.","Structure of (ethylenediamine)(tetramethylenediamine)(trimethylenediamine)- cobalt(III) hexacyanocobaltate(III)monohydrate,-(+)589[Co(en)(tn)(tmd)]- [Co(CN)6].H20","Acta Crystallographica, Section C","1990","46","","2354","2357","10.1107/S0108270190004395","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008167","22.8","","8.357","","7.894","","90.05","","97.27","","89.92","","1492.03","","","","","","","","","","","","Lengenbach quarry, Binnatal, Canton Wallis, Switzerland","3","P 1","P 1","1","","","Baumhauerite","- As16.6 Pb11.62 S36 -","- As16.6 Pb11.62 S36 -","- As16.6 Pb11.62 S36 -","1","1","","Engel, P.; Nowacki, W.","Die kristallstruktur von baumhauerit","Zeitschrift fur Kristallographie","1969","129","","178","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009501","10.094","","12.691","","7.24","","90","","111.02","","110.2","","804.337","","","","","","","","","","","","South Yukutia, Russia","7","P 1","P 1","1","","","Frankamenite","- Ca4.86 F2 H4 K2.87 Na3.14 O32.78 Si12 -","- Ca4.86 F2 H3.56 K2.87 Na3.14 O32.78 Si12 -","- Ca4.86 F2 H3.56 K2.87 Na3.14 O32.78 Si12 -","1","1","","Rozhdestvenskaya, I. V.; Nikishova, L. V.; Lazebnik, K. A.","The crystal structure of frankamenite","Mineralogical Magazine","1996","60","","897","905","10.1180/minmag.1996.060.403.05","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009943","3.88","","3.88","","3.88","","90","","90","","90","","58.411","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O3 Sn Ta -","- O3 Sn Ta -","- O3 Sn Ta -","1","1","","Gasperin, M.","Synthese et identification de deux oxydes doubles de tantale et d'etain Sample: synthetic","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences","1955","240","","2340","2342","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010147","10.394","","10.777","","8.896","","105.953","","96.294","","124.948","","738.874","","","","","","","","","","","","","10","P 1","P 1","1","","","Welshite","- Al1.71 As0.27 Be3.33 Ca3.78 Fe0.96 Mg7.87 Mn1.35 O40 Sb3 Si5.73 -","- Al1.71 As0.27 Be3.33 Ca3.78 Fe0.96 Mg7.87 Mn1.35 O40 Sb3 Si5.73 -","- Al1.71 As0.27 Be3.33 Ca3.78 Fe0.96 Mg7.87 Mn1.35 O40 Sb3 Si5.73 -","1","1","","Grew, E. S.; Barbier, J.; Britten, J.; Halenius, U.; Shearer, C. K.","The crystal chemistry of welshite, a non-centrosymmetric (P1) aenigmatite- sapphirine-surinamite group mineral","American Mineralogist","2007","92","","80","90","10.2138/am.2007.2250","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010767","5.277","","9.14","","9.6","","90","","90","","90","","463.025","","","","","","","","","","","","Garfield, Washington, USA","4","P 1","P 1","1","","","Nontronite","- Fe2 Na0.41 O10.01 Si4 -","- Fe2 Na0.41 O10.01 Si4 -","- Fe4 Na0.82 O20.02 Si8 -","2","2","","Dainyak, L. G.; Zviagina, B. B.; Rusakov, V. S.; Drits, V. A.","Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations Locality: Garfield, Washington, USA Sample: Model 2","European Journal of Mineralogy","2006","18","6","753","764","10.1127/0935-1221/2006/0018-0753","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011296","10.37","","23.129","","5.322","","90","","99.55","","90","","1258.78","","","","","","","","","","","","","8","P 1","P 1","1","","","Magnesium astrophyllite","- Fe4 H2 K2 Mg2 Na2 O15 Si4 Ti -","- Fe4 H2 K2 Mg2 Na2 O15 Si4 Ti -","- Fe4 H2 K2 Mg2 Na2 O15 Si4 Ti -","1","1","","Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y.","Structure refinement of monoclinic astrophyllite Locality: Khibina alkaline massif, Russia","Acta Crystallographica, Section B","1998","54","2","109","114","10.1107/S010876819700726X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011377","6.452","","6.559","","6.286","","61.6","","118.72","","105.86","","204.867","","","","","","","","","","","","","5","P 1","P 1","1","","","Hilgardite-1A","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","1","1","","Burns, P. C.; Hawthorne, F. C.","Refinement of the structure of hilgardite-1A Locality: Penobsquis potash deposit, Sussex, New Brunswick","Acta Crystallographica, Section C","1994","50","","653","655","10.1107/S0108270193010182","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9011429","16.32","","21.318","","8.543","","83.98","","89.06","","83.2","","2934.99","","","","","","","","","","","","Jas Roux, France","5","P 1","P 1","1","","","Chabourneite","- As19 Pb4 S68 Sb21 Tl8 -","- As19 Pb4 S68 Sb21 Tl8 -","- As19 Pb4 S68 Sb21 Tl8 -","1","1","","Nagl, A.","The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68","Zeitschrift fur Kristallographie","1979","150","","85","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011498","7.417","","7.398","","9.986","","90","","90","","90","","547.941","","","","","","","","","","","","Mt Saint Hilaire, Quebec, Canada","10","P 1","P 1","1","","","Leucophanite","- Be4 Ca3.94 Ce0.12 F3.46 La0.06 Na3.76 Nd0.09 O24.54 Pr0.03 Si8 -","- Be4 Ca3.94 Ce0.12 F3.46 La0.06 Na3.76 Nd0.09 O24.54 Pr0.03 Si8 -","- Be4 Ca3.94 Ce0.12 F3.46 La0.06 Na3.76 Nd0.09 O24.54 Pr0.03 Si8 -","1","1","","Cannillo, E.; Giuseppetti, G.; Mazzi, F.; Tazzoli, V.","The crystal structure of a rare earth bearing leucophanite: (Ca,RE)CaNa2Be2Si4O12(F,O)2","Zeitschrift fur Kristallographie","1992","202","","71","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011582","12.11","","13.44","","10.8","","104.38","","97.5","","107.93","","1578.64","","","","","","","","","","","","","2","P 1","P 1","1","","","Montbrayite","- Au2 Te3 -","- Au2 Te3 -","- Au24 Te36 -","12","12","","Bachechi, F.","Crystal structure of montbrayite Locality: Robb-Montbray, Quebec","Nature Physical Science","1971","231","","67","68","10.1038/physci231067a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011775","6.5","","23.96","","6.62","","95.68","","119.6","","90.59","","889.957","","","","","","","","","","","","Eastern Siberia","6","P 1","P 1","1","","","Volkovskite","- B22 Ca4 Cl H36 K O46 -","- B22 Ca4 Cl H36 K O46 -","- B22 Ca4 Cl H36 K O46 -","1","1","","Rastsvetaeva, R. K.; Andrianov, V. I.; Genkina, E. A.; Sokolova, T. N.; Kashaev, A. A.","Crystal structure of volkovskite KCa4B22O32(OH)10Cl*4H2O from Nepkii deposit (E. Siberia) Locality: Eastern Siberia","Kristallografiya","1992","37","","326","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011780","9.067","","12.896","","25.708","","89.98","","90.08","","90.22","","3005.96","","","","","","","","","","","","","6","P 1","P 1","1","","","Lazurite","- Al24 Ca4 Na28 O119 S8.49 Si24 -","- Al24 Ca4 Na28 O119 S8.49 Si24 -","- Al24 Ca4 Na28 O119 S8.49 Si24 -","1","1","","Evsyunin, V. G.; Sapozhnikov, A. N.; Kashaev, A. A.; Rastsvetaeva, R. K.","Crystal structure of triclinic lazurite Loclaity: Malaya-Bystray deposit, Lake Baikal, Russia","Kristallografiya","1997","42","","1014","1021","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011852","14.76","","7.14","","5.38","","90","","95","","99","","557.814","","","","","","","","","","","","Inaglinskii Massif, Southern Yakusk, Russia","9","P 1","P 1","1","","","Innelite","- Ba4 Ca0.16 Fe0.2 Mg0.27 Na2.33 O26 S2 Si4 Ti3 -","- Ba4 Ca0.16 Fe0.2 Mg0.27 Na2.33 O26 S2 Si4 Ti3 -","- Ba4 Ca0.16 Fe0.2 Mg0.27 Na2.33 O26 S2 Si4 Ti3 -","1","1","","Chernov, A. N.; Ilyukhin, V. V.; Maksimov, B. A.; Belov, N. V.","Crystal structure of innelite - Na2Ba3(Ba,K,Mn)(Ca,Na)Ti(TiO2)2[Si2O7]2(SO4)2","Soviet Physics Crystallography","1971","16","","65","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011860","8.34","","8.54","","10.74","","87.33","","94.5","","92","","761.381","","","","","","","","","","","","","2","P 1","P 1","1","","","Tochilinite","- Fe4 S5 -","- Fe4 S5 -","- Fe8 S10 -","2","2","","Organova, N. I.; Drits, V. A.; Dmitrik, A. L.","Structural study of tochilinite. II. Acicular variety: Unusual diffraction patterns Note: sulfide layer portion of structure only Note: corrections to Fe5 from ICSD","Soviet Physics Crystallography","1974","18","","606","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011881","8.7","","8.728","","11.688","","94.31","","98.62","","105.62","","838.839","","","","","","","","","","","","","11","P 1","P 1","1","","","Murmanite","- Ca0.6 Fe0.6 H16 K0.2 Mn0.45 Na4.5 Nb0.8 O44 Si8 Ti6.6 Zr0.25 -","- Ca0.6 Fe0.6 H16 K0.2 Mn0.45 Na4.5 Nb0.8 O44 Si8 Ti6.6 Zr0.25 -","- Ca0.6 Fe0.6 H16 K0.2 Mn0.45 Na4.5 Nb0.8 O44 Si8 Ti6.6 Zr0.25 -","1","1","","Rastsvetaeva, R. K.; Andrianov, V. I.","New data on the crystal structure of murmanite","Soviet Physics Crystallography","1986","31","","44","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011896","6.463","","6.564","","6.302","","61.63","","118.77","","105.78","","205.878","","","","","","","","","","","","not given","5","P 1","P 1","1","","","Hilgardite-1A","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","1","1","","Rumanova, I. M.; Iorysh, Z. I.; Belov, N. V.","Crystal structure of triclinic chilgardite Ca2[B5O9]Cl*H2O = Ca2[B3±B2deltaO9]Cl*H2O","Soviet Physics Doklady","1977","22","","460","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011905","8.606","","8.672","","4.317","","102.79","","97.94","","116.66","","270.162","","","","","","","","","","","","Kola Peninsula, Russia","6","P 1","P 1","1","","","Kuliokite-(Y)","- Al F5 H2 O10 Si2 Y4 -","- Al F5 H2 O10 Si2 Y4 -","- Al F5 H2 O10 Si2 Y4 -","1","1","","Sokolova, E. V.; Egorov-Tismenko Y K; Voloshin, A. V.; Pakhomovsky, Y. A.","Crystal structure of the new Y-Al silicate kuliokite-(Y), Y4Al[SiO4]2(OH)2F5","Soviet Physics Doklady","1986","31","","601","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011918","5.5","","7","","11.94","","96","","100.433","","88.916","","449.614","","","","","","","","","","","","","6","P 1","P 1","1","","","Murmanite","- H12 Mn Na2 O22 Si4 Ti3 -","- H12 Mn Na2 O22 Si4 Ti3 -","- H12 Mn Na2 O22 Si4 Ti3 -","1","1","","Khalilov, A. D.; Mamedov, K. S.; Makarov, E. S.; Pyanzina, L. A.","Crystal structure of murmanite","Doklady Akademii Nauk SSSR","1965","161","","1409","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012519","6.3484","","6.35","","6.597","","106.81","","94.09","","90.02","","253.867","","","","","","","","","","","","Synthetic","5","P 1","P 1","1","","","Sincosite","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","1","1","","Kang, H. Y.; Lee, W. C.; Wang, S. L.","Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)","Inorganic Chemistry","1992","31","","4743","4748","10.1021/ic00049a007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012667","15.1","","15.11","","15.092","","90.06","","90.01","","89.93","","3443.4","","","","","","","","","","","","Kabardino-Balkarian Republic, Northern Caucasus Region, Russia","5","P 1","P 1","1","","","Rondorfite","- Ca8 Cl2 Mg O16 Si4 -","- Ca8 Cl2 Mg O16 Si4 -","- Ca64 Cl16 Mg8 O128 Si32 -","8","8","","Rastsvetaeva, R. K.; Zadov, A. E.; Chukanov, N. V.","Crystal structure of low-symmetry rondorfite","Crystallography Reports","2008","53","","199","205","10.1134/S1063774508020065","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012684","7.173","","7.167","","9.3","","90.13","","90.09","","89.96","","478.101","","","","","","","","","","","","South Kazakhstan","7","P 1","P 1","1","","","Uramarsite","- As1.22 H12.72 N1.15 Na0.09 O18 P0.78 U2 -","- As1.22 H12.72 N1.15 Na0.09 O18 P0.78 U2 -","- As1.22 H12.72 N1.15 Na0.09 O18 P0.78 U2 -","1","1","","Rastsvetaeva, R. K.; Sidorenko, G. A.; Ivanova, A. G.; Chukanov, N. V.","Structural model of uramarsite","Crystallography Reports","2008","53","","771","774","10.1134/S1063774508050076","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012772","6.354","","6.329","","6.598","","106.72","","94.1","","90.06","","253.402","","","","","","","","","","","","Synthetic","5","P 1","P 1","1","","","Sincosite","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","1","1","","Franke, W. A.; Luger, P.; Weber, M.; Ivanova, T. I.","Low hydrothermal growth of sincosite Ca(VO/PO4)2*4H2O","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","1997","","","85","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013984","16.33","","5.6389","","11.685","","90.08","","126.446","","89.95","","865.546","","","","","","","","","","","","Yoko Dovyrensky massif, northern Baikal region, Russia","4","P 1","P 1","1","","","Afwillite","- Ca3 H6 O10 Si2 -","- Ca3 H6 O10 Si2 -","- Ca12 H24 O40 Si8 -","4","4","","Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E.","Refined structure of afwillite from the northern Baikal region","Crystallography Reports","2009","54","","418","422","10.1134/S1063774509030080","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014910","7.687","","5.54982","","10.09","","104","","110.45","","46.17","","290.958","","","","","","","","","","","","Synthetic","3","P 1","P 1","1","","","Ziesite","- Cu2 O7 V2 -","- Cu4 O14 V4 -","- Cu4 O14 V4 -","","","","Yashima, M.; Suzuki, R. O.","Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: this is a modification of the monoclinic structure from the Calvo & Faggiani (1975) paper, in the triclinic setting","Physical Review B","2009","79","","125201","125206","10.1103/PhysRevB.79.125201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015059","10.821","","6.002","","10.514","","90","","92.6","","90","","682.157","","","","","","","","","","","","Monte Romero mine (Iberian Pyrite Belt), Spain","2","P 1","P 1","1","","","Schwertmannite","- Fe O2 -","- Fe16 O32 -","- Fe16 O32 -","","","","Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.","The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined","American Mineralogist","2010","95","","1312","1322","10.2138/am.2010.3446","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015143","5.4027","","7.0656","","10.2178","","99.816","","99.624","","90.085","","378.747","","","","","","","","","","","","the Eifel volcanic area, Germany","14","P 1","P 1","1","","","Schullerite","- Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3 -","- Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3 -","- Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3 -","1","1","","Rastsvetaeva, R. K.; Aksenov, S.; Chukanov, N.","Crystal structure of schüllerite, a new mineral of the heterophyllosilicate family","Doklady Chemistry","2011","437","","90","94","10.1134/S0012500811040045","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015185","10.821","","6.002","","10.514","","90","","92.6","","90","","682.157","","","","","","","","","","","","Monte Romero mine (Iberian Pyrite Belt), Spain","2","P 1","P 1","1","","","Schwertmannite","- Fe8 O17 -","- Fe16 O34 -","- Fe16 O34 -","","","","Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.","The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 2, positions of sulfate groups not determined","American Mineralogist","2010","95","","1312","1322","10.2138/am.2010.3446","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015343","12.18","","6.68","","7.5","","93.98","","112.32","","86.05","","562.539","","","","","","","","","","","","","5","P 1","P 1","1","","","Babingtonite","- Ca2 Fe2 H O15 Si5 -","- Ca2 Fe2 H O15 Si5 -","- Ca4 Fe4 H2 O30 Si10 -","2","2","","Kosoi, A. L.","Structure of babingtonite","Kristallografiya","1975","20","","730","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015435","8.983","","8.985","","6.78","","116.25","","102.76","","60","","425.041","","","","","","","","","","","","Khibiny alkaline massif","16","P 1","P 1","1","","","Donnayite-(Y)","- C2 H2 Ba0.03 Ca0.15 Ce0.2 Dy0.03 Er0.01 Gd0.02 La0.1 Na0.4 Nd0.05 O7 Pr0.01 Sr0.73 Y0.26 Yb0.01 -","- C2 H2 Ba0.03 Ca0.15 Ce0.2 Dy0.03 Er0.01 Gd0.02 La0.1 Na0.4 Nd0.05 O7 Pr0.01 Sr0.73 Y0.26 Yb0.01 -","- C6 H6 Ba0.09 Ca0.45 Ce0.6 Dy0.09 Er0.03 Gd0.06 La0.3 Na1.2 Nd0.15 O21 Pr0.03 Sr2.19 Y0.78 Yb0.03 -","3","3","","Tjy, C. T. L.; Pobedimskaya, E. A.; Nadezhina, T. N.; Khomyakov, A. P.","Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O","Moscow University Geology Bulletin","1992","47","","60","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015870","7.8468","","5.6213","","10.18","","103.61","","109.71","","45.74","","302.746","","","","","","","","","","","","","3","P 1","P 1","1","","","Ziesite","- Cu2 O7 V2 -","- Cu4 O14 V4 -","- Cu4 O14 V4 -","","","","Yashima, M.; Suzuki, R. O.","Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: theoretical study, in a triclinic setting","Physical Review B","2009","79","","125201","125206","10.1103/PhysRevB.79.125201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015974","35.02","","9.23","","7.89","","112.94","","90","","90","","2348.62","","","","","","","","","","","","","3","P 1","P 1","1","","","Antigorite-T","- Mg39 O120 Si28 -","- Mg39 O120 Si28 -","- Mg39 O120 Si28 -","","","","Dodony, I.; Posfai, M.; Buseck, P. R.","Revised structure models for antigorite: An HRTEM study Note: n = 14","American Mineralogist","2002","87","","1443","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016123","5.5828","","9.766","","5.5455","","94.467","","111.348","","93.85","","279.26","","","","","","","","","","","","Monte Nero mine, Rocchetta Vara, La Spezia, Liguria, Italy","4","P 1","P 1","1","","","Coralloite","- As2 H10 Mn3 O14 -","- As2 H10 Mn3 O14 -","- As2 H10 Mn3 O14 -","1","1","","Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C.","Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups","American Mineralogist","2012","97","","727","734","10.2138/am.2012.3878","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016230","5.383","","7.053","","12.17","","93.16","","107.82","","90.06","","439.135","","","","","","","","","","","","","5","P 1","P 1","1","","","Murmanite","- H4 Na2 O11 Si2 Ti2 -","- H4 Na2 O11 Si2 Ti2 -","- H8 Na4 O22 Si4 Ti4 -","2","2","","Khalilov, A. D.","Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics","Mineralogiceskij Zhurnal","1989","11","","19","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016233","43.5","","9.23","","7.27","","90","","92","","84.75","","2904.91","","","","","","","","","","","","","3","P 1","P 1","1","","","Antigorite-T","- Mg48 O147 Si34 -","- Mg48 O147 Si34 -","- Mg48 O147 Si34 -","","","","Dodony, I.; Posfai, M.; Buseck, P. R.","Revised structure models for antigorite: An HRTEM study Note: n = 17","American Mineralogist","2002","87","","1443","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016345","15.903","","15.9118","","7.2304","","90.063","","89.793","","119.742","","1588.59","","","","","","","","","","","","Berezovskoe gold deposit, Middle Urals, Russia","12","P 1","P 1","1","","","Dravite","- Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 -","- Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 -","- Al17.04 B9 Cr0.945 Fe1.905 H9 Mg6.003 Na2.88 Ni0.474 O93 Si18 Ti0.117 V0.093 -","3","3","","Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J.","Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite","The Canadian Mineralogist","2011","49","","29","40","10.3749/canmin.49.1.29","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016769","11.407","","20.952","","7.406","","93.941","","100.75","","80.499","","1713.8","","","","","","","","","","","","","1","P 1","P 1","1","","","Hartite","- C5 -","- C80 -","- C80 -","","","","Bouska, V.; Cisarova, I.; Skala, R.; Dvorak, A.; Zelinka, J.; Zak, K.","Hartite from Bilina","American Mineralogist","1998","83","","1340","1346","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:22:47",""
"9016779","8.6061","","4.9573","","7.597","","89.94","","114.407","","89.98","","295.146","","","","","","","","0","","","","","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","- Al2 H4 Li2 O14 Si4 -","","","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Fois, E.; Gamba, A.; Tabacchi, G.","High-pressure behaviour of bikitaite: An integrated theoretical and experimental approach Sample at P = 0 GPa","American Mineralogist","2002","87","","1415","1425","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:30:44",""
"9016797","5.3434","","9.254","","14.34","","90.0002","","97.0909","","90.0002","","703.658","","","","","","","","","","","","Santa Olalla, Toledo Province, Spain","9","P 1","P 1","1","","","Vermiculite","- Al2.936 Ca0.06 Fe0.438 H17.6 Mg5.68 Na0.04 O30.8 Si5.664 Ti0.042 -","- Al2.936 Ca0.06 Fe0.438 H17.6 Mg5.68 Na0.04 O30.8 Si5.664 Ti0.042 -","- Al2.936 Ca0.06 Fe0.438 H17.6 Mg5.68 Na0.04 O30.8 Si5.664 Ti0.042 -","1","1","","Arguelles, A.; Leoni, M.; Blanco, J. A.; Marcos, C.","Semi-ordered crystalline structure of the Santa Olalla vermiculite inferred from X-ray powder diffraction","American Mineralogist","2010","95","","126","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9016992","4.695","","9.201","","5.311","","93.1","","107.264","","98.133","","215.766","","","","","","","","52400000","","","","Synthetic","3","P 1","P 1","1","","","","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.","Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 52.4 GPa","American Mineralogist","2014","99","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:12",""
"9017162","6.535","","24.185","","6.589","","92.626","","119.132","","97.298","","895.288","","","","","","","","","","","","New Brunswick, Canada","6","P 1","P 1","1","","","Volkovskite","- B22 Ca4 Cl H18 K O46 -","- B22 Ca4 Cl H18 K O46 -","- B22 Ca4 Cl H18 K O46 -","","","","Poulin, R. S.; Grice, J. D.","Volkovskite, a complex borate mineral: refined crystallographic data and optics","The Canadian Mineralogist","2013","51","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:26",""
"9017172","10.9977","","10.9985","","10.9966","","90.074","","89.984","","89.969","","1330.13","","","","","","","","","","","","Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada","8","P 1","P 1","1","","","Ramikite-(Y)","- C2 H2 Li2 Na6 O34 P6 Y3 Zr3 -","- C2 H2 Li2 Na6 O34 P6 Y3 Zr3 -","- C4 H4 Li4 Na12 O68 P12 Y6 Zr6 -","2","2","","McDonald, A. M.; Back, M. E.; Gault, R. A.; Horvath, L.","Peatite-(Y) and ramikite-(Y), two new Na-Li-Y±Zr phosphate-carbonate minerals from the Poudrette pegmatite, Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","2013","51","","569","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017187","9.103","","9.86","","9.111","","90.27","","109.53","","107.58","","729.618","","","","","","","","","","","","Lengenbach Quarry, Binn Valley, Switzerland","3","P 1","P 1","1","","","Sinnerite","- As4 Cu6 S9 -","- As8 Cu12 S18 -","- As8 Cu12 S18 -","","","","Bindi, L.; Makovicky, E.; Nestola, F.; Battisti, L. D.","Sinnerite, Cu6As4S9, from the Lengenbach Quarry, Binn Valley, Switzerland: Description and re-investigation of the crystal structure","The Canadian Mineralogist","2013","51","","851","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:28",""
"9017425","8.312","","14.545","","18.504","","89.71","","90.05","","90.13","","2237.06","","","","","","","","","","","","Friedrichssegen deposit, Rhineland-Palatinate, Germany","4","P 1","P 1","1","","","Lahnsteinite","- H12 O13 S Zn4 -","- H12 O13 S Zn4 -","- H96 O104 S8 Zn32 -","8","8","","Rastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Verin, I. A.","Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O","Crystallography Reports","2012","57","","737","741","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017552","16.218","","42.546","","8.58","","95.7","","90.18","","96.38","","5853.94","","","","","","","","","","","","Lengenbach quarry, Binntal, Canton Valais, Switzerland","5","P 1","P 1","1","","","Dalnegroite","- As24 Pb4.01 S68 Sb15.99 Tl8 -","- As48 Pb8.02 S136 Sb31.98 Tl16 -","- As48 Pb8.02 S136 Sb31.98 Tl16 -","","","","Bindi, L.; Nestola, F.; Guastoni, A.; Secco, L.","The crystal structure of dalnegroite, Tl5-xPb2x(As,Sb)21-xS34: a masterpiece of structural complexity","Mineralogical Magazine","2013","74","","999","1012","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:03:44",""
"9017679","6.331","","2.913","","10.727","","93.77","","96.34","","79.03","","192.824","","","","","","","","","","","","Tistoulet mine, Padern, Aude Department, France","6","P 1","P 1","1","","","Camerolaite","- Al Cu2 H9.32 O10 S0.33 Sb0.33 -","- Al Cu2 H9.32 O10 S0.33 Sb0.33 -","- Al Cu2 H9.32 O10 S0.33 Sb0.33 -","1","1","","Mills, S. J.; Christy, A. G.; Schnyder, C.; Favreau, G.; Price, J. R.","The crystal structure of camerolaite and structural variation in the cyanotrichite family of merotypes","Mineralogical Magazine","2014","78","","1527","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""