# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T17:21:01+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 32' 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
"1010689","19","","19","","12.58","","90","","90","","120","","3933","","","","","","","","","","","","","5","P 32","P 32","145","","Potassium dodecatungstoslilicate 18-hydrate","","- H36 K4 O58 Si W12 -","","","3","1","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1502807","9.5608","0.0014","9.5608","0.0014","14.687","0.003","90","","90","","120","","1162.7","0.3","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C51 H60 O18 -","3","1","","Chen, Wen-Hao; Wang, Rui; Shi, Yan-Ping","Flavonoids in the poisonous plant Oxytropis falcata.","Journal of natural products","2010","73","8","1398","1403","10.1021/np100339u","","","0.71073","MoKα","","0.0522","0.0378","","","0.0768","0.0849","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502971","8.0855","0.0001","8.0855","0.0001","22.4109","0.0002","90","","90","","120","","1268.83","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 32","P 32","145","RajanBabu 1646","","","- C17 H18.78 Br N3 O2.39 -","- C17 H18.776 Br N3 O2.388 -","- C51 H56.328 Br3 N9 O7.164 -","3","1","","Lim, Hwan Jung; Gallucci, Judith C.; RajanBabu, T. V.","Annulated diketopiperazines from dipeptides or Schöllkopf reagents via tandem cyclization-intramolecular N-arylation.","Organic letters","2010","12","9","2162","2165","10.1021/ol100663y","","x-ray","0.71073","MoKα","","0.024","0.0212","","","0.0483","0.0494","","","","","","1.036","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1503389","10.1431","0.001","10.1431","0.001","17.8259","0.0019","90","","90","","120","","1588.3","0.3","173","1","173","1","","","","","","","","3","P 32","P 32","145","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C75 H96 O12 -","3","1","","Caron, Pierre-Yves; Deslongchamps, Pierre","Versatile strategy to access tricycles related to quassinoids and triterpenes.","Organic letters","2010","12","3","508","511","10.1021/ol902711b","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0738","0.0779","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504278","13.3942","0.0005","13.3942","0.0005","27.3937","0.0014","90","","90","","120","","4256.1","0.3","183","2","183","2","","","","","","","","5","P 32","P 32","145","","","","- C23 H41 Cl N2 O5 -","- C23 H41 Cl N2 O5 -","- C138 H246 Cl6 N12 O30 -","6","2","","Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R.","Total synthesis of the putative structure of lucentamycin A.","Organic letters","2009","11","22","5298","5301","10.1021/ol902251c","","","0.71073","MoKα","","0.1624","0.0639","","","0.1418","0.1724","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505481","26.793","0.003","26.793","0.003","55.967","0.005","90","","90","","120","","34794","6","143","1","143","1","","","","","","","","6","P 32","P 32","145","","","","- C538 H402 K18 N34 O38 Yb6 -","- C538 H402 K18 N34 O38 Yb6 -","- C1614 H1206 K54 N102 O114 Yb18 -","3","1","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0904","0.074","","","0.1861","0.2001","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505527","18.2817","0.0003","18.2817","0.0003","5.1851","0.0002","90","","90","","120","","1500.79","0.07","90","2","90","2","","","","","","","","5","P 32","P 32","145","4-SF5-pyrazole","","","- C3 H3 F5 N2 S -","- C3 H3 F5 N2 S -","- C27 H27 F45 N18 S9 -","9","3","","Ye, Chengfeng; Gard, Gary L.; Winter, Rolf W.; Syvret, Robert G.; Twamley, Brendan; Shreeve, Jean'ne M.","Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry.","Organic letters","2007","9","19","3841","3844","10.1021/ol701602a","","x-ray","0.71073","MoKα","","0.0529","0.0482","","","0.1056","0.108","","","","","","1.096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505807","8.978","0.0013","8.978","0.0013","33.622","0.002","90","","90","","120","","2347","0.5","296","1","296","1","","","","","","","","3","P 32","P 32","145","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C90 H120 O39 -","3","1","","Zhao, Yu; Wang, Fu-Sheng; Peng, Li-Yan; Li, Xiao-Li; Xu, Gang; Luo, Xiao-Xin; Lu, Yang; Wu, Li; Zheng, Qi-Tai; Zhao, Qin-Shi","Taxoids from Taxus chinensis.","Journal of natural products","2006","69","12","1813","1815","10.1021/np060345g","","","0.71073","MoKα","","0.067","0.0626","","","0.214","0.2191","","","","","","1.197","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506096","13.352","0.0006","13.352","0.0006","12.1413","0.0007","90","","90","","120","","1874.51","0.16","193","","193","","","","","","","","","3","P 32","P 32","145","","7,7'-Dimethyl-1,3,1',3'-tetrahydro-[4,4']biisobenzofuranyl- 5,6,5',6'-tetracarboxylic acid tetramethyl ester","","- C26 H26 O10 -","- C26 H26 O10 -","- C78 H78 O30 -","3","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0248","0.0247","","","0.067","0.0671","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506324","11.1077","0.0006","11.1077","0.0006","24.942","0.003","90","","90","","120","","2665.1","0.4","150","","150","","","","","","","","","6","P 32","P 32","145","[Rh(dtbpb)(nbd)]PF6","[Bis(di-tert-butylphosphino-κ2,P,P)benzene](norbornadiene)rhodium(I) PF6","","- C33 H56 F6 O P3 Rh -","- C33 H56 F6 O P3 Rh -","- C99 H168 F18 O3 P9 Rh3 -","3","1","","Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro","Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts.","Organic letters","2006","8","26","6103","6106","10.1021/ol062717i","","x-ray","0.71073","MoKα","","0.0588","0.0495","","","0.1129","0.12","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507554","11.144","0.002","11.144","0.002","27.418","0.007","90","","90","","120","","2948.8","1.1","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C132 H138 N6 O24 -","6","2","","Gizecki, Patricia; Dhal, Robert; Toupet, Loïc; Dujardin, Gilles","First Asymmetric Synthesis of a 6-Alkoxy-5,6-dihydro-1,3-oxazine: A Promising Enantioselective Route to β-Amido Aldehydes","Organic Letters","2000","2","5","585","","10.1021/ol991326j","","","0.71069","MoKα","","0.1392","0.0635","","","0.1589","0.1955","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1512359","15.8305","0.001","15.8305","0.001","4.1963","0.0006","90","","90","","120","","910.72","0.15","305","2","305","2","","","","","","","","4","P 32","P 32","145","","","","- C42 H34 Br3 O6 -","- C42 H33 Br3 O6 -","- C42 H33 Br3 O6 -","1","0.333333","","Wang, Zi-Yu; Wong, Wing-Tak; Yang, Dan","Organocatalyzed Asymmetric Synthesis of Dihydrodibenzofurans Based on a Dienamine Process.","Organic letters","2013","15","19","4980","4983","10.1021/ol402288y","","","0.71073","MoKα","","0.0713","0.065","","","0.1944","0.1977","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514934","29.9106","0.0003","29.9106","0.0003","5.9714","0.0001","90","","90","","120","","4626.55","0.1","143.3","","143","","","","","","","","","2","P 32","P 32","145","","","","- C28 H24 -","- C28 H24 -","- C252 H216 -","9","3","","Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process?","Chemical Science","2012","3","2","493","","10.1039/c1sc00690h","","x-ray","0.7107","MoKα","","0.0544","0.0538","","","0.1339","0.1342","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516147","17.8119","0.0015","17.8119","0.0015","6.2589","0.0005","90","","90","","120","","1719.7","0.2","99.99","","100","0.2","","","","","","","","4","P 32","P 32","145","","((1S,2R,4S)-2-bromo-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol","","- C7 H9 Br O2 -","- C7 H9 Br O2 -","- C63 H81 Br9 O18 -","9","3","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","0.71073","MoKα","K-L~3~","0.0255","0.0235","","","0.0456","0.0467","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517156","9.1575","0.0004","9.1575","0.0004","17.92","0.0015","90","","90","","120","","1301.44","0.14","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C57 H69 N3 O9 S3 -","3","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.0391","0.0344","","","0.0759","0.0779","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518452","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Bandar, Jeffrey S.; Barthelme, Alexandre P.; Mazori, Alon Y.; Lambert, Tristan H.","Structure-Activity Relationship Studies of Cyclopropenimines as Enantioselective Brønsted Base Catalysts.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1537","1547","10.1039/C4SC02402H","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518465","9.2683","0.0001","9.2683","0.0001","18.5901","0.0003","90","","90","","120","","1382.97","0.03","291","2","291","2","","","","","","","","3","P 32","P 32","145","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C57 H78 O21 -","3","1","","Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi","(±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia.","Organic letters","2015","17","1","146","149","10.1021/ol5033738","","","1.54184","CuKα","","0.0241","0.024","","","0.0643","0.0644","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518495","10.18","0.0012","10.18","0.0012","10.954","0.003","90","","90","","120","","983.1","0.3","173","2","173","2","","","","","","","","4","P 32","P 32","145","","","","- C16 H12 Br N3 -","- C16 H12 Br N3 -","- C48 H36 Br3 N9 -","3","1","","Tang, Hai-Tao; Xiong, Kai; Li, Ren-Hao; Ding, Zong-Cang; Zhan, Zhuang-Ping","Synthesis of 5,6-Dihydropyrazolo[1,5-c]quinazolines through Gold-Catalyzed Chemoselective Bicyclization of N-Propargylic Sulfonylhydrazones.","Organic letters","2015","17","2","326","329","10.1021/ol503437n","","","0.71073","MoKα","","0.0431","0.0413","","","0.1031","0.1042","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520223","16.1172","0.0012","16.1172","0.0012","5.6393","0.0004","90","","90","","120","","1268.63","0.16","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C14 H16 Cl3 N O3 -","- C14 H16 Cl3 N O3 -","- C42 H48 Cl9 N3 O9 -","3","1","","Skvorcova, Marija; Grigorjeva, Liene; Jirgensons, Aigars","Tetrahydro-1,3-oxazepines via Intramolecular Amination of Cyclopropylmethyl Cation.","Organic letters","2015","17","12","2902","2904","10.1021/acs.orglett.5b01014","","","0.71073","MoKα","","0.2304","0.0888","","","0.1849","0.2421","","","","","","1.007","","","","has coordinates","141403","2020-10-21","18:00:00",""
"1520568","12.654","0.002","12.654","0.002","6.786","0.001","90","","90","","120","","941","0.3","","","223","","","","","","","","","4","P 32","P 32","145","","","","- C12 H15 N O5 -","","","3","1","","Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland","Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries","Acta Chemica Scandinavica","1999","53","","1023","1037","10.3891/acta.chem.scand.53-1023","","x-ray","1.54178","CuKα","","","0.058","","","0.179","","","","","","","","","","","","175419","2020-10-21","18:00:00",""
"1520569","12.701","0.003","12.701","0.003","6.811","0.002","90","","90","","120","","951.5","0.4","","","223","","","","","","","","","5","P 32","P 32","145","","","","- C12 H15 N O4 S -","","","3","1","","Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland","Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries","Acta Chemica Scandinavica","1999","53","","1023","1037","10.3891/acta.chem.scand.53-1023","","x-ray","1.54178","CuKα","","","0.03","","","0.08","","","","","","","","","","","","175419","2020-10-21","18:00:00",""
"1525609","14.362","","14.362","","9.604","","90","","90","","120","","1715.59","","","","","","","","","","","","","3","P 32","P 32","145","","Li2 (Mo O4)","","- Li2 Mo O4 -","- Li2 Mo O4 -","- Li36 Mo18 O72 -","18","6","","Barinova, A.V.; Rastsvetaeva, R.K.; Nekrasov, Yu.V.; Pushcharovskii, D.Yu.","Crystal structure of Li2 Mo O4","Doklady Akad. Nauk","2001","376","","343","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536590","24.57","","24.57","","17.414","","90","","90","","120","","9104.15","","","","","","","","","","","","","3","P 32","P 32","145","","Na2 (In6 Se10)","","- In6 Na2 Se10 -","- In6.00033 Na2 Se10 -","- In108.006 Na36 Se180 -","18","6","","Kienle, L.; Duppel, V.; Simon, A.; Deiseroth, H.J.","Ordnungsvarianten in ternaeren Chalkogeniden mit aufgefuellter beta-Manganstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","443","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","164357","2020-10-21","18:00:00",""
"1544316","9.7138","0.0005","9.7138","0.0005","33.882","0.002","90","","90","","120","","2768.7","0.3","123","","123","","","","","","","","","5","P 32","P 32","145","","","","- C22 H21 Fe N O3 -","- C22 H21 Fe N O3 -","- C132 H126 Fe6 N6 O18 -","6","2","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0399","0.0357","","0.0444","0.0391","0.0402","","","","","","1.075","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544970","10.9404","0.0002","10.9404","0.0002","13.0885","0.0003","90","","90","","120","","1356.71","0.05","298","2","298","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H19 Fe N S2 -","- C20 H19 Fe N S2 -","- C60 H57 Fe3 N3 S6 -","3","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.041","0.0295","","","0.0569","0.0626","","","","","","1.007","","","","has coordinates","191655","2020-10-21","18:00:00",""
"1546109","13.9065","0.0011","13.9065","0.0011","6.0548","0.0005","90","","90","","120","","1014.07","0.14","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C48 H45 N3 O9 -","3","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.0351","0.0295","","","0.0778","0.102","","","","","","1.205","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546364","20.168","0.002","20.168","0.002","11.2557","0.0012","90","","90","","120","","3964.9","0.7","296","2","296.15","","","","","","","","","3","P 32","P 32","145","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C180 H234 N18 -","9","3","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.136","0.0526","","","0.126","0.1656","","","","","","0.96","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1550581","30.382","0.007","30.382","0.007","14.976","0.003","90","","90","","120","","11972","5","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag N7 O13 -","- C18 H26 Ag N6 O10 -","- C270 H390 Ag15 N90 O150 -","15","5","","houlton, andrew; Mistry, Liam; El-Zubir, Osama; Horrocks, Ben R.; Dura, Gema; Clegg, William; Waddell, Paul G.; Hofer, Werner; pope, thomas; Wright, Nicholas","Addressing the Properties of “Metallo-DNA” with a Ag(I)-Mediated Supramolecular Duplex","Chemical Science","2019","","","","","10.1039/C8SC05103H","","","0.6889","synchrotron","","0.1248","0.0904","","","0.25","0.2777","","","","","","0.955","","","","has coordinates","213565","2020-10-21","18:00:00",""
"1551277","13.1784","0.0016","13.1784","0.0016","9.8668","0.0012","90","","90","","120","","1484","0.3","183","2","183","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C66 H93 Cl3 O9 -","3","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0292","0.0273","","","0.0675","0.0689","","","","","","1.031","","","","has coordinates,has Fobs","215756","2020-10-21","18:00:00",""
"1551876","23.001","0.0004","23.001","0.0004","17.621","0.0003","90","","90","","120","","8073.4","0.2","133","2","133","2","","","","","","","","5","P 32","P 32","145","","","","- C33 H47 Ir N5 P2 -","- C33 H47 Ir N5 P2 -","- C297 H423 Ir9 N45 P18 -","9","3","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.0328","0.0303","","","0.0641","0.0647","","","","","","0.958","","","","has coordinates","216517","2020-10-21","18:00:00",""
"1552939","13.3725","0.0017","13.3725","0.0017","40.84","0.005","90","","90","","120","","6324.7","1.4","200","2","200","2","","","","","","","","7","P 32","P 32","145","","Sodium [2-({2-[(1-carboxylato-2-methyl-2-sulfanidylpropyl)amino]ethyl}amino)-3-methyl-\ 3-sulfanidylbutanoato-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>']indate(III) tetrahydrate","","- C12 H28 In N2 Na O8 S2 -","- C12 H28 In N2 Na O8 S2 -","- C144 H336 In12 N24 Na12 O96 S24 -","12","4","SJ4211","Yoshinari, Nobuto; Konno, Takumi","Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate","IUCrData","2019","4","11","","","10.1107/S2414314619015293","","","0.71075","MoKα","","0.0474","0.0398","","","0.0719","0.076","","","","","","1.041","","","","has coordinates,has Fobs","231081","2020-10-21","18:00:00",""
"1553033","13.204","0.0002","13.204","0.0002","11.5028","0.0001","90","","90","","120","","1736.78","0.04","100","2","99.99","","","","","","","","","4","P 32","P 32","145","","","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C63 H84 N12 O3 -","3","1","","Ma, Gaoyuan; Sibi, Mukund P.","Enantioselective allylic amination of MBH carbonates catalyzed by novel chiral 4-dialkylaminopyridine catalysts","Org. Chem. Front.","2014","1","10","1152","","10.1039/C4QO00210E","","","1.54178","CuKα","","0.023","0.0226","","","0.0579","0.0582","","","","","","1.056","","","","has coordinates","232982","2020-10-21","18:00:00",""
"1553076","10.3879","0.0015","10.3879","0.0015","24.218","0.005","90","","90","","120","","2263.2","0.7","296","2","296","2","","","","","","","","5","P 32","P 32","145","","QM-1","","- C15 H13 N O5 S -","- C15 H13 N O5 S -","- C90 H78 N6 O30 S6 -","6","2","","Quan, Mao; Yang, Guoqiang; Xie, Fang; Gridnev, Ilya D.; Zhang, Wanbin","Pd(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimine esters and a DFT study of its mechanism","Organic Chemistry Frontiers","2015","2","4","398","","10.1039/C4QO00347K","","","1.54178","CuKα","","0.0328","0.0326","","","0.0873","0.0875","","","","","","1.094","","","","has coordinates","233025","2020-10-21","18:00:00",""
"1553247","9.9756","0.0003","9.9756","0.0003","9.8502","0.0003","90","","90","","120","","848.89","0.04","150","","150","","","","","","","","synthetic","5","P 32","P 32","145","","","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C33 H36 Br3 N3 O6 -","3","1","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.54184","CuKα","","0.0189","0.0188","","0.0493","0.0492","0.0493","","","","","","1.0009","","","","has coordinates","234004","2020-10-21","18:00:00",""
"1554840","13.594","0.0003","13.594","0.0003","5.7493","0.0004","90","","90","","120","","920.11","0.07","85","2","85","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C36 H60 O12 -","3","1","","Wang, Hengbin; Negretti, Solymar; Knauff, Allison R.; Montgomery, John","Exo-selective reductive macrocyclization of ynals.","Organic letters","2015","17","6","1493","1496","10.1021/acs.orglett.5b00381","","","1.54178","CuKα","","0.0269","0.0265","","","0.0645","0.0648","","","","","","1.084","","","","has coordinates","238148","2020-10-21","18:00:00",""
"1555276","13.414","0.011","13.414","0.011","13.869","0.011","90","","90","","120","","2161","3","100","2","100","2","","","","","","","synthesis","4","P 32","P 32","145","Boc-gV(NM)-gV(NM)-OEt","Boc-gV(NM)-gV(NM)-OEt","","- C23 H42 N4 O9 -","- C23 H42 N4 O9 -","- C69 H126 N12 O27 -","3","1","","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","","0.1322","0.0726","","","0.161","0.1902","","","","","","1.013","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1563824","11.5388","0.0005","11.5388","0.0005","11.4295","0.0005","90","","90","","120","","1317.89","0.1","153","2","153","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H21 Ge N O3 -","- C18 H21 Ge N O3 -","- C54 H63 Ge3 N3 O9 -","3","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0331","0.0306","","","0.0759","0.0782","","","","","","1.058","","","","has coordinates","266850","2021-07-01","07:12:36",""
"1563825","11.4794","0.0005","11.4794","0.0005","13.1483","0.0006","90","","90","","120","","1500.51","0.12","153","2","153","2","","","","","","","","5","P 32","P 32","145","","","","- C21 H25 N O3 Si -","- C21 H25 N O3 Si -","- C63 H75 N3 O9 Si3 -","3","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0538","0.0449","","","0.0967","0.1006","","","","","","1.125","","","","has coordinates","266851","2021-07-01","07:14:41",""
"1563831","17.1006","0.0004","17.1006","0.0004","12.5741","0.0003","90","","90","","120","","3184.42","0.13","153","2","153","2","","","","","","","","6","P 32","P 32","145","","","","- C41 H51 Cl3 N2 O6 Si2 -","- C41 H51 Cl3 N2 O6 Si2 -","- C123 H153 Cl9 N6 O18 Si6 -","3","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.097","0.0723","","","0.1828","0.2061","","","","","","1.068","","","","has coordinates,has disorder","266857","2021-07-01","07:32:05",""
"1565845","14.33767","0.00006","14.33767","","21.39635","0.00014","90","","90","","120","","3809.14","0.03","","","","","","","","","","","","4","P 32","P 32","145","","","","- C45 N7 O10 S -","- C45 N7 O10 S -","- C135 N21 O30 S3 -","3","1","","Jeong, Rokam; Eom, Jae-Hoon; Gong, Jintaek; Kang, Minsang; Kim, Jaewook; Lee, Hee-Seung","Programmed hierarchical radial association of anisotropic foldamer assemblies.","Nanoscale","2022","14","5","1700","1705","10.1039/d1nr05135k","powder diffraction","x-ray","1.5173","","","","","","","","","0.16238","","2.31","","","","","","","has coordinates","272707","2022-02-04","19:51:38",""
"2000251","13.013","0.005","13.013","0.005","6.326","0.007","90","","90","","120","","927.7","1.1","","","","","","","","","","","","4","P 32","","","","","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C30 H63 N3 O15 -","3","1","LI0059","Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.","Camphoric acid and ammonium hydrogen camphorate monohydrate","Acta Crystallographica Section C","1991","47","9","1888","1892","10.1107/S0108270191001713","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000927","10.131","0.001","10.131","0.001","14.913","0.003","90","","90","","120","","1325.6","0.3","","","","","","","","","","","","4","P 32","","","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C60 H69 N3 O12 -","3","1","KA0008","Ribár, B.; Radivojević, P.; Gašić, O.; Kanyó, I.; Golič, L.","Structure of isocorypalmine","Acta Crystallographica Section C","1992","48","5","944","945","10.1107/S0108270191011575","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003263","9.793","0.001","9.793","0.001","9.978","0.002","90","","90","","120","","828.7","0.2","293","10","293","10","","","","","","","","5","P 32","P 32","145","","N-(2R)-bromopropionyl-(2S)-proline methyl ester","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C27 H42 Br3 N3 O9 -","3","1","HU1118","Ingham, S. L.; Lenman, M. M.","<i>N</i>-[2(<i>R</i>)-Bromopropanoyl]-(2<i>S</i>)-proline Methyl Ester","Acta Crystallographica Section C","1995","51","3","537","538","10.1107/S0108270194007961","","","0.71073","MoKα","","0.0397","0.0343","","0.0944","0.0909","","","","1.124","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003347","15.034","0.002","15.034","0.002","7.187","0.002","90","","90","","120","","1406.8","0.5","296","","","","","","","","","","acetone recrystallization","4","P 32","P 32","","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C63 H84 N6 O6 -","3","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","0.048","0.048","","0.054","0.052","","","","","","","","","","","has coordinates","281832","2023-03-13","07:38:35",""
"2003760","12.457","0.001","12.457","0.001","10.505","0.002","90","","90","","120","","1411.7","0.3","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(+)-(2S,5R)-2-[(1'S)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C57 H87 N3 O9 S3 -","3","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0338","0.0295","","0.0297","0.0292","","","","","1.768","1.768","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006066","9.363","0.001","9.363","0.001","11.015","0.002","90","","90","","120","","836.3","0.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","N'-Ethoxiyarbonyl-1-Methylpyrrole-2-carbohydrazide.","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C27 H39 N9 O9 -","3","1","KA1194","Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J.","Ethyl <i>N</i>-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate","Acta Crystallographica Section C","1997","53","4","490","491","10.1107/S0108270196013583","","","0.71073","MoKα","","","0.036","","","0.046","","","","","1.734","1.734","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006755","14.493","0.002","14.493","0.002","10.191","0.002","90","","90","","120","","1853.8","0.5","130","2","130","2","","","","","","","","5","P 32","P 32","145","pyridinium trifluoroacetate","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","BK1317","Palmore, G. Tayhas R.; McBride-Wieser, Mary T.","Pyridinium Trifluoroacetate: Spoked Columns of Hydrogen-Bonded Cyclic Dimers","Acta Crystallographica Section C","1997","53","12","1904","1907","10.1107/S0108270197009414","","","0.71073","MoKα","","0.0303","0.028","","0.126","0.0734","","","","1.057","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006946","9.221","0.004","9.221","0.004","14.006","0.006","90","","90","","120","","1031.3","0.8","293","","293","","","","","","","","","3","P 32","P 32","145","8α-Hydroxy-11α,13-dihydrozaluzanin C","Decahydro-4,8-dihydroxy-3-methyl-6,9- bis(methylene)-azuleno[4,5-b]furan-2(3H)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C45 H60 O12 -","3","1","NA1327","Kakuda, Hiroko; Helal, Amr M.; Nakamura, Norio; Hattori, Masao","8α-Hydroxy-11α,13-dihydrozaluzanin C","Acta Crystallographica Section C","1998","54","1","113","114","10.1107/S0108270197012924","","","0.71069","MoKα","","0.0855","0.0445","","0.1466","","0.1211","","","0.92","","","0.926","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007456","13.24","0.005","13.24","0.005","7.157","0.005","90","0.005","90","0.005","120","0.005","1086.5","1","173","2","173","2","","","","","","","","4","P 32","P 32","145","","(3R,4S)-N-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-O-isopropylidene-1-pentyne","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C45 H57 N3 O9 -","3","1","NA1331","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago","Structures of Chiral Hydroxylamines. VI. (3<i>R</i>,4<i>S</i>)-<i>N</i>-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-<i>O</i>-isopropylidene-1-pentyne","Acta Crystallographica Section C","1998","54","7","1003","1004","10.1107/S010827019800153X","","","0.71069","MoKα","","0.05","0.041","","0.108","","0.102","","","1.062","","","1.093","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008928","12.157","0.003","12.157","0.003","8.05","0.002","90","","90","","120","","1030.3","0.4","294","2","294","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","1.5418","CuKα","","0.028","0.027","","","","0.088","","","","","","1.546","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008929","12.0864","0.0015","12.0864","0.0015","7.9291","0.0011","90","","90","","120","","1003.1","0.2","135","2","135","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","0.71073","MoKα","","0.038","0.034","","","","0.095","","","","","","1.193","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2013259","7.0453","0.0004","7.0453","0.0004","9.5608","0.0007","90","","90","","120","","410.98","0.04","297","2","","","","","","","","","Synthetic","3","P 32","P 32","145","orthoboric acid","boric acid","","- B H3 O3 -","- B H3 O3 -","- B6 H18 O18 -","6","2","FA1014","Shuvalov, Robert R.; Burns, Peter C.","A new polytype of orthoboric acid, H~3~BO~3~-3<i>T</i>","Acta Crystallographica Section C","2003","59","6","i47","i49","10.1107/S0108270103009685","","","0.71073","MoKα","","","0.0438","","","","0.0884","","","","","","1","","","","has coordinates,has Fobs","282067","2023-03-26","07:49:21",""
"2014586","7.6963","0.0009","7.6963","0.0009","14.6171","0.0011","90","","90","","120","","749.82","0.14","294","2","294","1","","","","","","","","5","P 32","P 32","145","dipotassium hydrogen chromatoarsenate","dipotassium hydrogen chromatoarsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","TA1472","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.","K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I","Acta Crystallographica Section C","2004","60","12","i113","i116","10.1107/S0108270104026368","","","0.71073","MoKα","","0.0228","0.0206","","","0.0524","0.0531","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016172","7.0453","","7.0453","","9.6","0.01","90","","90","","120","","412.7","0.4","297","","297","","","","","","","","","3","P 32","P 32","145","boric acid","boric acid","","- B H3 O3 -","- B H3 O3 -","- B6 H18 O18 -","6","2","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016599","9.4309","0.0004","9.4309","0.0004","38.4799","0.0017","90","","90","","120","","2963.9","0.2","296","","296","","","","","","","","","6","P 32","P 32","145","","diiodidobis(4-methoxyphenyl)tellurium(II) dimethyl sulfoxide hemisolvate","","- C15 H17 I2 O2.5 S0.5 Te -","- C15 H17 I2 O2.5 S0.5 Te -","- C90 H102 I12 O15 S3 Te6 -","6","2","JZ3121","Farran, Joan; Alvarez-Larena, Angel; Piniella, Joan F.; Capparelli, Mario V.; Friese, Karen","Twinning by merohedry in bis(4-methoxyphenyl)tellurium(IV) diiodide dimethyl sulfoxide hemisolvate","Acta Crystallographica Section C","2008","64","5","o257","o260","10.1107/S0108270108007804","","","0.71073","MoKα","","0.037","0.0312","","","0.0319","0.0329","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017131","9.1105","0.0005","9.1105","0.0005","16.2506","0.0007","90","","90","","120","","1168.11","0.1","100","2","100","2","","","","","","","","5","P 32","P 32","145","Streptidinium sulfate monohydrate","{[(1<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)-2,4,5,6-tetrahydroxycyclohexane- 1,3-diyl]diimino}bis(aminomethaniminium) sulfate monohydrate","","- C8 H22 N6 O9 S -","- C8 H22 N6 O9 S -","- C24 H66 N18 O27 S3 -","3","1","GD3283","Leśniewska, Barbara; Jebors, Said; Coleman, Anthony W.; Suwińska, Kinga","Streptidinium sulfate monohydrate","Acta Crystallographica Section C","2009","65","6","o290","o292","10.1107/S0108270109015650","","","0.71073","MoKα","","0.0487","0.0456","","","0.098","0.1003","","","","","","1.05","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2017654","11.261","0.002","11.261","0.002","13.495","0.006","90","","90","","120","","1482","0.8","298","2","298","2","","","","","","","","5","P 32","P 32","145","","poly[diaqua(μ~2~-4,4'-bipyridine)(μ~2~-4-carboxylatocinnamato)nickel(II)]","","- C20 H18 N2 Ni O6 -","- C20 H18 N2 Ni O6 -","- C60 H54 N6 Ni3 O18 -","3","1","SQ3241","Wang, Suna; Wang, Daqi; Dou, Jianmin; Li, Dacheng","An unusual three-dimensional chiral threefold polycatenating network self-assembled from inclined two-dimensional (4,4) layer motifs","Acta Crystallographica Section C","2010","66","5","m141","m144","10.1107/S0108270110012394","","","0.71073","MoKα","","0.1076","0.0714","","","0.1806","0.2108","","","","","","1.06","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018735","11.6246","0.0005","11.6246","0.0005","11.5864","0.0005","90","","90","","120","","1355.92","0.1","200","2","200","2","","","","","","","","5","P 32","P 32","145","","(<i>S</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","","- C18 H21 N O3 Sn -","- C18 H21 N O3 Sn -","- C54 H63 N3 O9 Sn3 -","3","1","EG3106","Böhme, Uwe; Fels, Sabine","Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","Acta Crystallographica Section C","2013","69","1","44","46","10.1107/S0108270112050470","","","0.71073","MoKα","","0.0211","0.0206","","","0.0497","0.0501","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2021280","7.3942","0.0002","7.3942","0.0002","17.4657","0.0004","90","","90","","120","","826.99","0.04","100","1","100","1","","","","","","","","5","P 32","P 32","145","Cytisinium bromide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bromide","","- C11 H15 Br N2 O -","- C11 H15 Br N2 O -","- C33 H45 Br3 N6 O3 -","3","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","","0.0334","0.0273","","","0.0451","0.0466","","","","","","0.996","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021281","7.522","0.0002","7.522","0.0002","18.5124","0.0004","90","","90","","120","","907.11","0.04","295","2","295","2","","","","","","","","5","P 32","P 32","145","Cytisinium iodide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide","","- C11 H15 I N2 O -","- C11 H15 I N2 O -","- C33 H45 I3 N6 O3 -","3","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","","0.0285","0.0245","","","0.0461","0.0494","","","","","","1.054","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021942","8.3729","0.0002","8.3729","0.0002","20.0206","0.0006","90","","90","","120","","1215.51","0.05","293","2","293","2","","","","","","","","5","P 32","P 32","145","","<i>N</i>-(2,6-Dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-\ benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C51 H48 N6 O12 S3 -","3","1","KU3258","Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina","Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam","Acta Crystallographica Section C","2020","76","1","69","74","10.1107/S2053229619016450","","","0.71073","MoKα","","0.0473","0.0363","","","0.0867","0.0929","","","","","","1.041","","","","has coordinates,has Fobs","246412","2020-10-21","18:00:00",""
"2101263","12.692","0.005","12.692","0.005","19.186","0.009","90","","90","","120","","2676.5","1.9","290","","","","","","","","","","","4","P 32","P 32","145","","","","- H8 O10 S2 Sr -","- O10 S2 Sr -","- O120 S24 Sr12 -","12","4","SH1083","Fábry, J.","Structure redetermination of SrS~2~O~6~.4H~2~O","Acta Crystallographica Section B","1995","51","1","23","30","10.1107/S010876819400769X","","","0.71073","MoKα~1,2~","","","0.1109","","","0.0589","","","","","2.08","2.08","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104371","10.492","0.0001","10.492","0.0001","16.6645","0.0003","90","","90","","120","","1588.69","0.04","120","2","120","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C54 H72 N15 O12 P9 -","3","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0293","0.0288","","","0.071","0.0715","","","","","","1.021","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2200604","21.266","0.009","21.266","0.009","7.873","0.005","90","","90","","120","","3083","3","298","","","","","","","","","","","3","P 32","P 32","145","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C135 H234 O27 -","9","3","CF6073","El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.","(1<i>S</i>,2<i>S</i>,3<i>R</i>,6<i>S</i>,7<i>R</i>)-3,6-Epoxyhimachalane-2,7-diol","Acta Crystallographica Section E","2001","57","10","o925","o927","10.1107/S160053680101457X","","","0.71073","MoKα","","0.0389","0.0373","","","","0.0899","","","","","","1.094","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201817","15.7741","0.001","15.7741","0.001","49.394","0.005","90","","90","","120","","10643.7","1.4","160","2","160","2","","","","","","","","4","P 32","P 32","145","","(trans-Cinnamaldehyde)tris(2,6-diphenylphenoxy)aluminium","","- C63 H47 Al O4 -","- C63 H47 Al O4 -","- C567 H423 Al9 O36 -","9","3","BT6257","Clegg, William; Elsegood, Mark R. J.; Snaith, Ronald; Deceased; Wheatley, Andrew E. H.","(<i>trans</i>-Cinnamaldehyde)tris(2,6-diphenylphenoxy)aluminium","Acta Crystallographica Section E","2003","59","5","m225","m227","10.1107/S1600536803007141","","","1.54184","CuKα","","0.1098","0.0682","","","0.1831","0.2283","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204118","15.41","0.03","15.41","0.03","8.617","0.012","90","","90","","120","","1772","5","273","2","273","2","","","","","","","","6","P 32","P 32","145","","Dibromo[2,2',3,3'-tetrahydro-3,3'-bis(4-methoxylbenzyl)-1,1'-methylenedi- 1H-imidazole-κ^2^C^2^,C^2'^]palladium(II)","","- C23 H24 Br2 N4 O2 Pd -","- C23 H24 Br2 N4 O2 Pd -","- C69 H72 Br6 N12 O6 Pd3 -","3","1","BR6157","Lee, Hon Man; Chiu, Pei Ling","Dibromo[2,2',3,3'-tetrahydro-3,3'-bis(4-methoxybenzyl)-1,1'-methylenedi-1<i>H</i>-imidazole-κ^2^<i>C</i>^2^,<i>C</i>^2'^]palladium(II)","Acta Crystallographica Section E","2004","60","9","m1276","m1277","10.1107/S1600536804018574","","","0.71073","MoKα","","0.0696","0.0518","","","0.1069","0.1131","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204529","13.3072","0.0014","13.3072","0.0014","5.1172","0.0011","90","","90","","120","","784.8","0.2","193","2","193","2","","","","","","","","3","P 32","P 32","145","","4,8-anhydro-1,2,3,5-tetradeoxy-D-allo-non-1-enitol","","- C9 H16 O4 -","- C9 H16 O4 -","- C27 H48 O12 -","3","1","LH6269","Rhoad, Jonathon S.; Lowary, Todd L.; Ferguson, Michael J.","4,8-Anhydro-1,2,3,5-tetradeoxy-<small>D</small>-<i>allo</i>-non-1-enitol","Acta Crystallographica Section E","2004","60","11","o1942","o1944","10.1107/S1600536804024419","","","0.71073","MoKα","","0.1024","0.0631","","","0.1459","0.1788","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205631","11.2952","0.0008","11.2952","0.0008","4.5325","0.0004","90","","90","","120","","500.79","0.07","100","","100","","","","","","","","","4","P 32","P 32","145","","2-Iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C18 H18 I3 N3 -","3","1","YA6240","Andrew Parkin; Christopher K. Spanswick; Colin R. Pulham; Chick C. Wilson","2-Iodoaniline at 100 K","Acta Crystallographica Section E","2005","61","4","o1087","o1089","10.1107/S1600536805007038","","","0.71073","MoKα","","0.058","0.048","","0.124","0.119","0.124","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209975","11.6285","0.0012","11.6285","0.0012","10.894","0.002","90","","90","","120","","1275.7","0.3","294","2","294","2","","","","","","","","5","P 32","P 32","145","","1-oxo-6-(2-phenylacetylamino)-1-penicillanic acid","","- C16 H18 N2 O5 S -","- C16 H18 N2 O5 S -","- C48 H54 N6 O15 S3 -","3","1","RN2008","Duan, Er-Hong; Zhao, Di-Shun; Wang, Juan; Li, Mei-Ling","1-Oxo-6-(2-phenylacetylamino)-1-penicillanic acid","Acta Crystallographica Section E","2006","62","8","o3249","o3250","10.1107/S1600536806025219","","","0.71073","MoKα","","0.0648","0.0385","","","0.0727","0.0819","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2212660","10.4344","0.0005","10.4344","0.0005","26.324","0.003","90","","90","","120","","2482.1","0.3","291","2","291","2","","","","","","","","6","P 32","P 32","145","","tris(2,2'-bipyridyl-κ^2^N,N')copper(II) hexafluoridophosphate","","- C30 H24 Cu F12 N6 P2 -","- C30 H24 Cu F12 N6 P2 -","- C90 H72 Cu3 F36 N18 P6 -","3","1","OM2101","Wang, Li; Yang, Xue-Yun; Huang, Wei","Tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')copper(II) hexafluoridophosphate","Acta Crystallographica Section E","2007","63","3","m835","m836","10.1107/S160053680700757X","","","0.71073","MoKα","","0.0947","0.0636","","","0.1322","0.1446","","","","","","0.935","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216446","8.7006","0.0004","8.7006","0.0004","14.0732","0.0006","90","","90","","120","","922.62","0.07","291","2","291","2","","","","","","","","5","P 32","P 32","145","","Diethylammonium 2,5-dihydroxybenzenesulfonate","","- C10 H17 N O5 S -","- C10 H17 N O5 S -","- C30 H51 N3 O15 S3 -","3","1","FJ2077","Harrison, William T. A.; Swamy, M. T.; Yathirajan, H. S.; Ashok, M. A.; Narayana, B.","Diethylammonium 2,5-dihydroxybenzenesulfonate","Acta Crystallographica Section E","2007","63","12","o4870","o4870","10.1107/S1600536807060540","","","0.71073","MoKα","","0.0312","0.0287","","","0.0779","0.0789","","","","","","1.08","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2218495","8.9892","0.0009","8.9892","0.0009","15.4567","0.0014","90","","90","","120","","1081.66","0.18","296","1","","","","","","","","","","5","P 32","P 32","145","","(<i>S</i>)-2-(Pyrrolidinium-2-ylmethylsulfanyl)pyridinium dibromide","","- C10 H16 Br2 N2 S -","- C10 H16 Br2 N2 S -","- C30 H48 Br6 N6 S3 -","3","1","PK2087","Zhang, Shuai; Wang, Yifeng; Xia, Aibao; Luo, Shuping","(<i>S</i>)-2-(Pyrrolidinium-2-ylmethylsulfanyl)pyridinium dibromide","Acta Crystallographica Section E","2008","64","6","o1142","","10.1107/S1600536808008313","","","0.71073","MoKα","","","0.0364","","","","0.1077","","","","","","1.007","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2220779","7.1749","0.0013","7.1749","0.0013","12.7415","0.0015","90","","90","","120","","568.05","0.16","293","2","293","2","","","","","","","","3","P 32","P 32","145","β-D-altropyranose","(2R,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","","- C6 H12 O6 -","- C6 H12 O6 -","- C18 H36 O18 -","3","1","GK2181","Watanabe, Yuji; Yoshida, Hiromi; Takeda, Kosei; Ishi, Tomohiko; Kamitori, Shigehiro","β-<small>D</small>-Altrose","Acta Crystallographica Section E","2009","65","2","o280","","10.1107/S1600536809000397","","","1.54178","CuKα","","0.0476","0.0458","","","0.1194","0.1253","","","","","","1.151","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221382","10.959","0.0015","10.959","0.0015","12.726","0.003","90","","90","","120","","1323.6","0.4","298","2","298","2","","","","","","","","4","P 32","P 32","145","","(9S,13R,14S)-7,8-didehydro-3,4,7-trimethoxy-N-methyl-morphinan-6-one","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C60 H75 N3 O12 -","3","1","HK2561","Li, Yu-Feng; Qian, Yi; Yin, Li-He; Lv, Ran; Zhu, Hong-Jun","(9<i>S</i>,13<i>R</i>,14<i>R</i>)-7,8-Didehydro-3,4,7-trimethoxy-17-methylmorphinan-6-one","Acta Crystallographica Section E","2009","65","4","o689","","10.1107/S1600536808040749","","","0.71073","MoKα","","0.0902","0.0704","","","0.1874","0.2082","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225274","15.6495","0.0006","15.6495","0.0006","5.9335","0.001","90","","90","","120","","1258.5","0.2","120","2","120","2","","","","","","","","4","P 32","P 32","145","","(<i>E</i>)-1-Phenyl-2-({5-[(1<i>E</i>)-(2-phenylhydrazin-1-ylidene)methyl]- 2-thienyl}methylidene)hydrazine","","- C18 H16 N4 S -","- C18 H16 N4 S -","- C54 H48 N12 S3 -","3","1","HG2637","de Lima, Geraldo M.; Harrison, William T. A.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","(<i>E</i>)-1-Phenyl-2-({5-[(1<i>E</i>)-(2-phenylhydrazin-1-ylidene)methyl]-2-thienyl}methylidene)hydrazine","Acta Crystallographica Section E","2010","66","3","o504","o505","10.1107/S1600536810003302","","","0.71073","MoKα","","0.061","0.05","","","0.099","0.108","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229523","13.2323","0.0013","13.2323","0.0013","7.9807","0.0008","90","","90","","120","","1210.2","0.2","298","2","298","2","","","","","","","","4","P 32","P 32","145","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2-Dichloro-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C48 H72 Cl6 O3 -","3","1","TK2714","Benharref, Ahmed; Lassaba, Essêdiya; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","Acta Crystallographica Section E","2011","67","3","o615","","10.1107/S1600536811004788","","","0.71073","MoKα","","0.0483","0.0453","","","0.1206","0.1257","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2233159","16.223","0.001","16.223","0.001","4.813","0.0003","90","","90","","120","","1097.01","0.12","173","2","173","2","","","","","","","","4","P 32","P 32","145","","(<i>S</i>)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","","- C18 H16 N2 S -","- C18 H16 N2 S -","- C54 H48 N6 S3 -","3","1","GW2110","Pawar, Sunayna; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(<i>S</i>)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","Acta Crystallographica Section E","2012","68","1","o176","","10.1107/S1600536811052585","","","0.71073","MoKα","","0.0436","0.0352","","","0.0811","0.0843","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237196","10.3524","0.0018","10.3524","0.0018","26.14","0.006","90","","90","","120","","2426.2","0.8","150","2","150","2","","","","","","","","6","P 32","P 32","145","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) bis(hexafluoridophosphate)","","- C30 H24 Co F12 N6 P2 -","- C30 H24 Co F12 N6 P2 -","- C90 H72 Co3 F36 N18 P6 -","3","1","LR2090","Menteş, Ayfer; Singh, Kuldip","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2013","69","1","m58","","10.1107/S1600536812050234","","","0.71073","MoKα","","0.0597","0.049","","","0.0841","0.0883","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238386","13.211","0.001","13.211","0.001","19.555","0.003","90","","90","","120","","2955.7","0.6","291","2","291","2","","","","","","","","6","P 32","P 32","145","","7-Benzyl-3-methyl-6-phenylimidazo[2,1-<i>b</i>][1,3]thiazol-7-ium chloride 0.75-hydrate","","- C19 H18.5 Cl N2 O0.75 S -","- C19 H18.5 Cl N2 O0.75 S -","- C114 H111 Cl6 N12 O4.5 S6 -","6","2","LD2101","Guo-Li, Huang; Bo, Liu; Jun-Feng, Kou","7-Benzyl-3-methyl-6-phenylimidazo[2,1-<i>b</i>][1,3]thiazol-7-ium chloride 0.75-hydrate","Acta Crystallographica Section E","2013","69","8","o1247","o1248","10.1107/S1600536813018795","","","0.71073","MoKα","","0.076","0.0595","","","0.1194","0.1229","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240345","17.867","0.002","17.867","0.002","5.329","0.0006","90","","90","","120","","1473.3","0.3","103","2","103","2","","","","","","","","3","P 32","P 32","145","","(<i>Z</i>)-1-Phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol","","- C25 H24 O -","- C25 H24 O -","- C75 H72 O3 -","3","1","","Ganguly, Rakesh; Sally; Chan, Philip Wai Hong","Crystal structure of (<i>Z</i>)-1-phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol","Acta Crystallographica Section E","2015","71","1","o64","","10.1107/S205698901402742X","","","0.71073","MoKα","","0.1215","0.0578","","","0.1033","0.1287","","","","","","0.976","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241726","10.833","0.0012","10.833","0.0012","39.169","0.005","90","","90","","120","","3980.8","0.8","173","2","173.15","","","","","","","","","3","P 32","P 32","145","Dimethyl-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate","","","- C34 H28 O4 -","- C34 H28 O4 -","- C204 H168 O24 -","6","2","ZL2665","Greenberg, Fred H.; Nazarenko, Alexander Y.","Crystal structure of dimethyl 3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate","Acta Crystallographica Section E","2016","72","7","947","950","10.1107/S2056989016009403","","","1.54178","CuKα","","0.035","0.0334","","","0.0899","0.0914","","","","","","1.045","","","","has coordinates,has Fobs","183682","2020-10-21","18:00:00",""
"2311265","11.7721","0.0004","11.7721","0.0004","8.0824","0.0003","90","","90","","120","","970.02","0.06","100","2","100","2","","","","","","","","3","P 32","P 32","145","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C48 H54 N6 -","3","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0283","0.0283","","","0.0748","0.0748","","","","","","1.145","","","","has coordinates","245741","2020-10-21","18:00:00",""
"4000620","16.002","0.002","16.002","0.002","6.04","0.0012","90","","90","","120","","1339.4","0.4","173","2","173","2","","","","","","","","4","P 32","P 32","145","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C60 H78 N6 O3 -","3","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050929o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000957","6.4334","0.0014","6.4334","0.0014","35.586","0.008","90","","90","","120","","1275.5","0.5","293","2","293","2","","","","","","","","4","P 32","P 32","145","Sodium uranoborate","","","- B10 Na O24 U2 -","- B10 Na O24 U2 -","- B30 Na3 O72 U6 -","3","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","","0.0402","0.0364","","","0.066","0.0669","","","","","","0.948","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001168","15.599","0.005","15.599","0.005","6.246","0.005","90","0.005","90","0.005","120","0.005","1316.2","1.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C60 H78 N6 O3 -","3","1","","Sliwa, Michel; Spangenberg, Arnaud; Malfant, Isabelle; Lacroix, Pascal G.; Métivier, Rémi; Pansu, Robert B.; Nakatani, Keitaro","Structural, Optical, and Theoretical Studies of a Thermochromic Organic Crystal with Reversibly Variable Second Harmonic Generation","Chemistry of Materials","2008","20","12","4062","","10.1021/cm800093a","","","0.71073","MoKα","","0.0464","0.0356","","","0.0761","0.0793","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001736","6.7147","","6.7147","","6.4688","","90","","90","","120","","252.585","","","","","","","","","","","","","4","P 32","P 32","145","","Bi B2 O4 F","","- B2 Bi F O4 -","- B2 Bi F O4 -","- B6 Bi3 F3 O12 -","3","1","","Li, G.; Lin, J.; Wang, Y.; Li, L.; Liao, F.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002540","11.7691","","11.7691","","13.3361","","90","","90","","120","","1599.73","","","","","","","","","","","","","4","P 32","P 32","145","","Pb6 B11 O18 (O H)9","","- B11 H9 O27 Pb6 -","- B11 O27 Pb6 -","- B33 O81 Pb18 -","3","1","","Yu, Z.-T.; Chen, J.-S.; Shi, Z.; Jiang, Y.-S.; Yuan, H.-M.","A chiral lead borate containing infinite and finite chains built up from B O4 and B O3 units","Chemistry of Materials (1,1989-)","2002","14","","1314","1318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002731","24.5815","0.0006","24.5815","0.0006","17.4269","0.0008","90","","90","","120","","9119.4","0.5","293","2","293","2","","","","","","","","3","P 32","P 32","145","NaIn3Se5","","","- In3 Na Se5 -","- In3 Na Se5 -","- In108 Na36 Se180 -","36","12","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71075","MoKα","","0.052","0.0466","","","0.0838","0.0864","","","","","","0.988","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002829","5.108967","0.000085","5.108967","0.000085","12.48752","0.00029","90","","90","","120","","282.275","0.009","300","","300","","","","","","","","","4","P 32","P 32","145","","","","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","1","0.333333","","Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin","Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.94","1.548","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4021448","11.079","0.001","11.079","0.002","9.666","0.001","90","","90","","120","","1027.5","0.2","293","2","293","2","","","","","","","synthesised by authors","5","P 32","P 32","145","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C39 H51 N3 O6 S3 -","3","1","","Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg","Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors","Journal of Organic Chemistry","2006","71","","1265","1268","10.1021/jo0521504","","","0.71073","MoKα","","0.1477","0.0974","","","0.1631","0.1995","","","","","","0.781","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021629","11.4564","0.0004","11.4564","0.0004","16.2373","0.0012","90","","90","","120","","1845.61","0.16","298","2","298","2","","","","","","","","6","P 32","P 32","145","","","","- C23 H24 F5 N O4 S2 -","- C23 H24 F5 N O4 S2 -","- C69 H72 F15 N3 O12 S6 -","3","1","","Jeremy P. Scott; Steven F. Oliver; Karel M. J. Brands; Sarah E. Brewer; Antony J. Davies; Andrew D. Gibb; David Hands; Stephen P. Keen; Faye J. Sheen; Robert A. Reamer; Robert D. Wilson; Ulf-H. Dolling","Practical Asymmetric Synthesis of a γ-Secretase Inhibitor Exploiting Substrate-Controlled Intramolecular Nitrile Oxide-Olefin Cycloaddition","Journal of Organic Chemistry","2006","71","","3086","3092","10.1021/jo060033i","","","0.71073","MoKα","","0.0617","0.0456","","","0.1025","0.1104","","","","","","1.031","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021975","12.7298","0.0002","12.7298","0.0002","33.4904","0.0008","90","","90","","120","","4699.96","0.15","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(1S,4S,5R,6S,7S)-N-tert-butyloxycarbonyl-2-azabicyclo[2.2.1]heptan-7-bromo-5,6- (dimethylmethylene)dioxy-3-one","","- C14 H20 Br N O5 -","- C14 H20 Br N O5 -","- C168 H240 Br12 N12 O60 -","12","4","","James T. Slama; Nimish Mehta; Ewa Skrzypczak-Jankun","Carbocyclic Ribosylamines: Synthesis of 5-Substituted Carbocyclic β-Ribofuranosylamines","Journal of Organic Chemistry","2006","71","","7877","7880","10.1021/jo060920l","","","0.71073","MoKα","","0.0356","0.0257","","","0.0476","0.0494","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022482","13.826","0.0009","13.826","0.0009","10.088","0.0006","90","","90","","120","","1670.05","0.18","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C23 H33 I O3 -","- C23 H33 I O3 -","- C69 H99 I3 O9 -","3","1","","José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda","Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~","Journal of Organic Chemistry","2003","68","","6583","6586","10.1021/jo034517f","","","1.5418","CuKα","","0.0552","0.0408","","","0.1176","0.1414","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022913","18.0383","0.0003","18.0383","0.0003","11.9993","0.0003","90","","90","","120","","3381.25","0.12","160","1","160","1","","","","","","","","5","P 32","P 32","145","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C153 H180 Cl9 N9 O9 -","9","3","","Giuseppe Borsato; Anthony Linden; Ottorino De Lucchi; Vittorio Lucchini; David Wolstenholme; Alfonso Zambon","Chiral Polycyclic Ketones via Desymmetrization of Dihaloolefins","Journal of Organic Chemistry","2007","72","","4272","4275","10.1021/jo070222g","","","0.71073","MoKα","","0.0754","0.0517","","","0.1141","0.1282","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023464","11.893","0.001","11.893","0.001","43.492","0.001","90","","90","","120","","5327.5","0.6","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C54 H92 O26 P2 S2 Se2 -","- C56 H76 O24 P2 S2 Se2 -","- C168 H228 O72 P6 S6 Se6 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","","0.71067","MoKα","","0.0518","0.035","","","0.0707","0.0745","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023466","11.745","0.001","11.745","0.001","42.937","0.001","90","","90","","120","","5129.4","","103","1","103","1","","","","","","","","6","P 32","P 32","145","","","","- C52.2 H86.87 O25.4 P2 S2.77 Se1.23 -","- C52.206 H87.216 O25.402 P2 S2.769 Se1.231 -","- C156.618 H261.648 O76.206 P6 S8.307 Se3.693 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","single crystal","x-ray","0.71074","MoKα","K-L~2,3~","0.0648","0.0445","","","0.1008","0.1136","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4023467","11.717","0.001","11.717","0.001","42.414","0.001","90","","90","","120","","5042.8","0.6","103","2","103","1","","","","","","","","6","P 32","P 32","145","","","","- C54 H92 O26 P2 S2.93 Se1.07 -","- C54 H92 O26 P2 S2.935 Se1.065 -","- C162 H276 O78 P6 S8.805 Se3.195 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","x-ray","0.71074","MoKα","K-L~2,3~","0.0483","0.0359","","","0.0603","0.0713","","","","","","1.092","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4023468","11.883","","11.883","","43.699","","90","","90","","120","","5343.8","","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C54 H90 O26 P2 S2 Se2 -","- C56 H74 O24 P2 S2 Se2 -","- C168 H222 O72 P6 S6 Se6 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","","0.71068","MoKα","","0.0639","0.0483","","","0.1275","0.1345","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027069","9.3573","0.0002","9.3573","0.0002","40.4414","0.0015","90","","90","","120","","3066.61","0.15","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C132 H144 O36 -","6","2","","Xiaoqin Wang; Weijun Yao; Zhihui Yao; Cheng Ma","Bifuctional Amino-Squaramides Catalyzed Asymmetric Spiroannulation Cascades with Aliphatic β,γ-Unsaturated α-Keto Esters: Controlling an Aldehyde Enolate","Journal of Organic Chemistry","2012","77","","2959","2965","10.1021/jo202633c","","","1.54184","CuKα","","0.0937","0.0896","","","0.2641","0.269","","","","","","1.031","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4029671","11.6253","0.0002","11.6253","0.0002","9.0313","0.0002","90","","90","","120","","1057.03","0.03","123","2","123","2","","","","","","","","3","P 32","P 32","145","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C48 H42 I6 -","3","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0244","0.0238","","","0.0588","0.059","","","","","","1.088","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029804","21.483","0.003","21.483","0.003","14.924","0.003","90","","90","","120","","5964.9","1.7","168","2","168","2","","","","","","","","5","P 32","P 32","145","","","","- C30 H27 Cl2 N O3 -","- C30 H27 Cl2 N O3 -","- C270 H243 Cl18 N9 O27 -","9","3","","Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W","C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones.","Beilstein journal of organic chemistry","2008","4","","28","","10.3762/bjoc.4.28","","","0.71073","MoKα","","0.182","0.0604","","","0.0948","0.1194","","","","","","0.889","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029850","10.1431","0.001","10.1431","0.001","17.8259","0.0019","90","","90","","120","","1588.3","0.3","173","1","173","1","","","","","","","","3","P 32","P 32","145","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C75 H96 O12 -","3","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0738","0.0779","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029999","25.5016","0.0005","25.5016","0.0005","5.8826","0.0001","90","","90","","120","","3313.1","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 32","P 32","145","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C126 H192 O30 -","6","2","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0512","0.0477","","","0.1379","0.1421","","","","","","1.075","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4031823","10.2142","0.0004","10.2142","0.0004","17.8299","0.0007","90","","90","","120","","1610.97","0.11","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C78 H66 O15 -","3","1","","Yuan, Xiao; Lin, Lili; Chen, Weiliang; Wu, Wangbin; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Chiral Tetrahydrofurans via Catalytic Asymmetric [3 + 2] Cycloaddition of Heterosubstituted Alkenes with Oxiranes.","The Journal of organic chemistry","2016","81","3","1237","1243","10.1021/acs.joc.5b02524","","x-ray","1.54184","CuKα","","0.075","0.0738","","","0.1613","0.1637","","","","","","1.095","","","","has coordinates","177418","2020-10-21","18:00:00",""
"4032985","11.1863","0.0005","11.1863","0.0005","6.106","0.0003","90","","90","","120","","661.7","0.05","100","","100","","","","","","","","","3","P 32","P 32","145","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C30 H36 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.028","0.0276","","","0.0698","0.07","","","","","","1.031","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032986","7.7296","0.0003","7.7296","0.0003","18.3472","0.0009","90","","90","","120","","949.32","0.07","290","","290","","","","","","","","","4","P 32","P 32","145","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C42 H57 N3 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.0309","0.0307","","","0.08","0.0801","","","","","","0.986","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4033053","9.5079","0.0003","9.5079","0.0003","32.2672","0.0019","90","","90","","120","","2526.16","0.19","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C120 H120 F6 N6 O6 -","6","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2139","0.0553","","","0.0842","0.1142","","","","","","0.811","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033541","11.8743","0.0002","11.8743","0.0002","11.5602","0.0002","90","","90","","120","","1411.6","0.04","100","1","100","1","","","","","","","","3","P 32","P 32","145","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C63 H96 O9 -","3","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.0408","0.0406","","","0.1142","0.1144","","","","","","1.149","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4034507","13.8672","0.0004","13.8672","0.0004","24.9165","0.0007","90","","90","","120","","4149.5","0.2","180","","180","","","","","","","","","4","P 32","P 32","145","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C174 H252 O12 S6 -","3","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0808","0.074","","0.211","0.2005","0.211","","","","","","1.0303","","","","has coordinates,has disorder","223012","2020-10-21","18:00:00",""
"4037663","7.0145","0.0004","7.0145","0.0004","5.4826","0.0003","90","","90","","120","","233.62","0.02","173","","173","","","","","","","","","4","P 32","P 32","145","","Glycine beta","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.087","0.0813","","","0.2447","0.2475","","","","","","1.212","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4038159","14.511","0.002","14.511","0.002","10.2","0.002","90","","90","","120","","1860.1","0.5","170","0.1","170","0.1","","","","","","","","5","P 32","P 32","145","","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","","0.71073","MoKα","","0.0612","0.0451","","","0.0893","0.0969","","","","","","1.043","","","","has coordinates","249887","2020-10-21","18:00:00",""
"4038584","11.0048","0.0002","11.0048","0.0002","17.676","0.0003","90","","90","","120","","1853.87","0.06","100","","100","","","","","","","","","4","P 32","P 32","145","","","","- C26 H45 O3 P -","- C26 H45 O3 P -","- C78 H135 O9 P3 -","3","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0269","0.0266","","","0.0693","0.0697","","","","","","1.049","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4061748","8.2247","0.0008","8.2247","0.0008","22.586","0.004","90","","90","","120","","1323.2","0.3","143","2","143","2","","","","","","","","5","P 32","P 32","145","","","","- C17 H22 Ir N O4 -","- C17 H22 Ir N O4 -","- C51 H66 Ir3 N3 O12 -","3","1","","","","Organometallics","2005","","","","","10.1021/om050614i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4064133","12.4085","0.0003","12.4085","0.0003","16.4055","0.0005","90","","90","","120","","2187.55","0.1","173","2","173","2","","","","","","","","6","P 32","P 32","145","","","","- C29 H34 F6 Ir N2 P -","- C29 H34 F6 Ir N2 P -","- C87 H102 F18 Ir3 N6 P3 -","3","1","","Barloy, Laurent; Issenhuth, Jean-Thomas; Weaver, Marisa G.; Pannetier, Nicolas; Sirlin, Claude; Pfeffer, Michel","Reaction of Chiral Secondary Amines with [(η5-C5Me5)MCl2]2(M = Rh(III), Ir(III)): Cyclometalation with or without Dehydrogenation","Organometallics","2011","30","5","1168","","10.1021/om101148v","","","0.71073","MoKα","","0.0544","0.0495","","","0.1298","0.1403","","","","","","1.051","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4065035","11.4224","0.0004","11.4224","0.0004","32.1421","0.0016","90","","90","","120","","3631.8","0.3","293","2","293","2","","","","","","","","7","P 32","P 32","145","","","","- C40 H72 B2 Co F8 N8 O -","- C40 H72 B2 Co F8 N8 O -","- C120 H216 B6 Co3 F24 N24 O3 -","3","1","","Mo, Zhenbo; Li, Yuxue; Lee, Hung Kay; Deng, Liang","Square-Planar Cobalt Complexes with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Catalytic Application","Organometallics","2011","30","17","4687","","10.1021/om200527y","","","0.71073","MoKα","","0.1413","0.0573","","","0.0985","0.1173","","","","","","0.792","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4069656","11.6998","0.0012","11.6998","0.0012","27.105","0.003","90","","90","","120","","3213.2","0.6","123","2","123","2","","","","","","","","4","P 32","P 32","145","","","","- C32 H80 Al4 Ca2 -","- C32 H80 Al4 Ca2 -","- C96 H240 Al12 Ca6 -","3","1","","Michel, Olaf; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Alkaline-Earth Metal Alkylaluminate Chemistry Revisited","Organometallics","2009","28","16","4783","","10.1021/om900342h","","","0.71073","MoKα","","0.044","0.0427","","","0.1059","0.1067","","","","","","1.105","","","","has coordinates,has disorder","178585","2020-10-21","18:00:00",""
"4073716","12.524","0.0002","12.524","0.0002","9.29","0.0002","90","","90","","120","","1261.92","0.04","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H18 Cl2 O2 Sn -","- C16 H18 Cl2 O2 Sn -","- C48 H54 Cl6 O6 Sn3 -","3","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥","Organometallics","2007","26","25","6312","","10.1021/om700576n","","","0.7107","MoKα","","0.0153","0.015","","","0.034","0.0341","","","","","","1.112","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4076247","14.06","0.0007","14.06","0.0009","15.9528","0.0013","90","","90","","120","","2731.1","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H28 Fe N6 O4 -","- C28 H28 Fe N6 O4 -","- C84 H84 Fe3 N18 O12 -","3","1","","Westwood, Joanna; Coles, Simon J.; Collinson, Simon R.; Gasser, Gilles; Green, Stephen J.; Hursthouse, Michael B.; Light, Mark E.; Tucker, James H. R.","Binding and Electrochemical Recognition of Barbiturate and Urea Derivatives by a Regioisomeric Series of Hydrogen-Bonding Ferrocene Receptors","Organometallics","2004","23","5","946","","10.1021/om034217o","","","0.71073","MoKα","","0.1827","0.1338","","","0.3369","0.3684","","","","","","1.104","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076313","12.747","","12.747","","33.708","","90","","90","","120","","4743.29","","120","2","120","2","","","","","","","","8","P 32","P 32","145","","","","- C65 H55 B Cl Cr F24 N2 O -","- C65 H55 B Cl Cr F24 N2 O -","- C195 H165 B3 Cl3 Cr3 F72 N6 O3 -","3","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.71073","MoKα","","0.2173","0.0958","","","0.217","0.2767","","","","","","1.006","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076972","12.524","0.0002","12.524","0.0002","9.29","0.0002","90","","90","","120","","1261.92","0.04","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H18 Cl2 O2 Sn -","- C16 H18 Cl2 O2 Sn -","- C48 H54 Cl6 O6 Sn3 -","3","1","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0153","0.015","","","0.034","0.0341","","","","","","1.112","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4077321","11.741","0.0001","11.741","0.0001","27.337","0.0002","90","","90","","120","","3263.56","0.05","243","","243","","","","","","","","see text","4","P 32","P 32","145","","","","- C32 H80 Al4 Yb2 -","- C32 H80 Al4 Yb2 -","- C96 H240 Al12 Yb6 -","3","1","","Klimpel, Michael G.; Anwander, Reiner; Tafipolsky, Maxim; Scherer, Wolfgang","Peralkylated Ytterbium(II) Aluminate Complexes YbAl2R8. New Insights into the Nature of Aluminate Coordination","Organometallics","2001","20","19","3983","","10.1021/om0102091","","","0.71073","MoKα","","0.0248","0.0241","","","0.059","0.0595","","","","","","1.079","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077495","17.966","0.012","17.966","0.012","10.785","0.007","90","","90","","120","","3015","3","293","2","293","2","","","","","","","","8","P 32","P 32","145","","Bis(trichlorosilyl)-{1-{(R)-1-[(S)-2-(diphenylphosphino-kP)ferrocenyl]ethyl}- 3-phenyl-5-methyl-1H-pyrazole-kN}palladium (5)","","- C35 H33 Cl8 Fe N2 P Pd Si2 -","- C34.3 H31 Cl6.6 Fe N2 P Pd Si2 -","- C102.9 H93 Cl19.8 Fe3 N6 P3 Pd3 Si6 -","3","1","","Woo, Tom K.; Pioda, Giorgio; Rothlisberger, Ursula; Togni, Antonio","Chiral Palladium(II)−Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies","Organometallics","2000","19","11","2144","","10.1021/om000130g","","","0.71073","MoKα","","0.0489","0.0385","","","0.0901","0.1042","","","","","","1.091","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4081022","12.357","0.005","12.357","0.005","9.11","0.005","90","0.005","90","0.005","120","0.005","1204.7","1","100","2","100","2","","","","","","","","6","P 32","P 32","145","","","","- C14 H18 Au N4 P S -","- C14 H18 Au N4 P S -","- C42 H54 Au3 N12 P3 S3 -","3","1","","García-Moreno, Elena; Gasc Sonia; Rodriguez-Yoldi, M Jesus; Cerrada, Elena; Laguna, Mariano","S-Propargylthiopyridine Phosphane Derivatives As Anticancer Agents: Characterization and Antitumor Activity","Organometallics","2013","32","13","3710","","10.1021/om400340a","","","0.71069","MoKα","","0.0725","0.072","","","0.1867","0.1873","","","","","","1.086","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081979","15.6727","0.0004","15.6727","0.0004","16.6893","0.0004","90","","90","","120","","3550.23","0.15","150","2","150","2","","","","","","","","3","P 32","P 32","145","","","","- C58 H54 N4 -","- C58 H54 N4 -","- C174 H162 N12 -","3","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0876","0.0614","","","0.1628","0.1831","","","","","","1.037","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4087227","10.7169","0.0011","10.7169","0.0011","25.76","0.003","90","","90","","120","","2562.2","0.5","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C33 H53 B F4 Ir N P2 -","- C33 H53 B F4 Ir N P2 -","- C99 H159 B3 F12 Ir3 N3 P6 -","3","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.023","0.0222","","","0.0455","0.0459","","","","","","1.015","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087365","22.0645","0.0013","22.0645","0.0013","11.2385","0.0007","90","","90","","120","","4738.4","0.5","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C25 H26 B P -","- C25 H26 B P -","- C225 H234 B9 P9 -","9","3","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.1091","0.0656","","","0.147","0.1687","","","","","","0.97","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4088881","13.3096","0.0006","13.3096","0.0006","29.391","0.0015","90","","90","","120","","4508.9","0.4","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C63 H81 N6 Y -","- C63 H81 N6 Y -","- C189 H243 N18 Y3 -","3","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","","0.0807","0.0417","","","0.0806","0.089","","","","","","0.832","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4100957","11.4597","0.0016","11.4597","0.0016","12.611","0.003","90","","90","","120","","1434.3","0.4","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C60 H66 Cl3 N3 O6 -","3","1","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101505","15.831","0.007","15.831","0.004","5.792","0.0014","90","","90","0.003","120","","1257.1","0.7","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C15 H15 I O3 -","- C15 I O3 -","- C45 I3 O9 -","3","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71073","MoKα","","0.089","0.0615","","","0.1583","0.169","","","","","","0.654","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101834","10.796","0.0002","10.796","0.0002","16.8101","0.0005","90","","90","","120","","1696.78","0.07","140","2","140","2","","","","","","","","6","P 32","P 32","145","","","","- C20 H18 Fe2 N2 O6 S2 -","- C20 H18 Fe2 N2 O6 S2 -","- C60 H54 Fe6 N6 O18 S6 -","3","1","","Dafa Chen; Rosario Scopelliti; Xile Hu","Synthesis and Reactivity of Iron Acyl Complexes Modeling the Active Site of [Fe]-Hydrogenase","Journal of the American Chemical Society","2010","132","","928","929","10.1021/ja9100485","","","0.71073","MoKα","","0.0326","0.0266","","","0.0468","0.0479","","","","","","0.973","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4104413","11.5735","0.0002","11.5735","0.0002","6.9885","0.0003","90","","90","","120","","810.67","0.04","193","2","193","2","","","","","","","","5","P 32","P 32","145","","","","- C10 H11 B N2 O4 -","- C10 H11 B N2 O4 -","- C30 H33 B3 N6 O12 -","3","1","","David M. Knapp; Eric P. Gillis; Martin D. Burke","A General Solution for Unstable Boronic Acids: Slow-Release Cross-Coupling from Air-Stable MIDA Boronates","Journal of the American Chemical Society","2009","131","","6961","6963","10.1021/ja901416p","","","0.71073","MoKα","","0.0285","0.0264","","","0.0693","0.0721","","","","","","1.079","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4105371","9.8337","0.0013","9.8337","0.0013","5.9948","0.0007","90","","90","","120","","502.04","0.11","180","2","180","2","","","","","","","","3","P 32","P 32","145","","(S)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","","- C6 H10 O3 -","- C6 H10 O3 -","- C18 H30 O9 -","3","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","0.71073","MoKα","","0.0319","0.0256","","","0.0469","0.0479","","","","","","0.967","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4106036","11.8535","0.0006","11.8535","0.0006","27.0516","0.0014","90","","90","","120","","3291.7","0.3","123","2","123","2","","","","","","","","4","P 32","P 32","145","","","","- C32 H80 Al4 Eu2 -","- C32 H80 Al4 Eu2 -","- C96 H240 Al12 Eu6 -","3","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0594","0.0575","","","0.142","0.1439","","","","","","1.159","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106133","14.7945","0.0006","14.7945","0.0006","14.7246","0.0004","90","","90","","120","","2791.1","0.18","173","2","173","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan; Miguel A. Garcia-Garibay","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0875","0.0512","","","0.0818","0.0925","","","","","","0.981","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106134","14.873","0.002","14.873","0.002","14.794","0.003","90","","90","","120","","2834.1","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0977","0.0523","","","0.1041","0.1177","","","","","","0.942","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106860","16.328","0.003","16.328","0.003","10.2112","0.0016","90","","90","","120","","2357.6","0.7","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C35 H42 N2 O5 -","- C34 H38 N2 O4 -","- C102 H114 N6 O12 -","3","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0325","0.0314","","","0.0771","0.0776","","","","","","1.108","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108943","11.4597","0.0016","11.4597","0.0016","12.611","0.003","90","","90","","120","","1434.3","0.4","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C60 H66 Cl3 N3 O6 -","3","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.1203","0.049","","","0.0949","0.114","","","","","","0.984","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4109570","18.238","0.0014","18.238","0.0014","14.286","0.002","90","","90","","120","","4115.2","0.7","153","2","153","2","","","","","","","","5","P 32","P 32","145","","","","- C51.5 H52.5 Cu2 N4 O11.75 -","- C51.5 H30 Cu2 N4 O11.75 -","- C154.5 H90 Cu6 N12 O35.25 -","3","1","","Jungseok Heo; You-Moon Jeon; Chad A. Mirkin","Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers","Journal of the American Chemical Society","2007","129","","7712","7713","10.1021/ja0716812","","","0.71073","MoKα","","0.1064","0.0665","","","0.1755","0.2154","","","","","","0.752","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110191","15.1281","0.0001","15.1281","0.0001","7.716","0.0001","90","","90","","120","","1529.3","0.02","273","2","273","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H18 Mn3 O12 -","- C14 H16 Mn3 O12 -","- C42 H48 Mn9 O36 -","3","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.0932","0.0662","","","0.1568","0.1706","","","","","","1.043","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110192","14.8724","0.0003","14.8724","0.0003","7.3333","0.0004","90","","90","","120","","1404.73","0.09","273","2","273","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H18 Mg3 O12 -","- C14 H15 Mg3 O12 -","- C42 H45 Mg9 O36 -","3","1","","Jian Zhang; Shumei Chen; Henry Valle; Matthew Wong; Cristina Austria; Maria Cruz; Xianhui Bu","Manganese and Magnesium Homochiral Materials: Decoration of Honeycomb Channels with Homochiral Chains","Journal of the American Chemical Society","2007","129","","14168","14169","10.1021/ja076532y","","","0.71073","MoKα","","0.098","0.0751","","","0.1901","0.2033","","","","","","1.021","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4112462","17.826","0.002","17.826","0.002","6.193","0.002","90","","90","","120","","1704.3","0.6","100","","100","","","","","","","","","4","P 32","P 32","145","","(R)-2-Chloro-3,3dimethyl-butan-1-ol","","- C6 H13 Cl O -","- C6 H13 Cl O -","- C54 H117 Cl9 O9 -","9","3","","Nis Halland; Alan Braunton; Stephan Bachmann; Mauro Marigo; Karl Anker Jørgensen","direct Organocatalytic Asymmetric α-Chlorination of Aldehydes","Journal of the American Chemical Society","2004","126","","4790","4791","10.1021/ja049231m","","","0.71073","MoKα","","","0.103","","","","0.128","","","","","","1.99","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112950","19.057","0.003","19.057","0.003","12.505","0.003","90","","90","","120","","3933","1.3","295","2","295","2","","","","","","","","7","P 32","P 32","145","","","","- C2 H20 K2 O52 P V2 W10 -","- C K2 O53 P W10.041 -","- C3 K6 O159 P3 W30.123 -","3","1","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0609","0.0478","","","0.1049","0.1118","","","","","","1.02","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4115214","7.7075","0.0003","7.7075","0.0003","44.782","0.001","90","","90","","120","","2303.89","0.14","103.2","","","","","","","","","","","4","P 32","P 32","145","","","","- C15 H19 N O7 -","- C15 H19 N O7 -","- C90 H114 N6 O42 -","6","2","","Kentaro Tanaka; Atsushi Tengeiji; Tatsuhisa Kato; Namiki Toyama; Motoo Shiro; Mitsuhiko Shionoya","Efficient Incorporation of a Copper Hydroxypyridone Base Pair in DNA","Journal of the American Chemical Society","2002","124","","12494","12498","10.1021/ja027175o","","","0.7107","MoKα","","","0.0386","","","","0.0947","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115602","9.864","0.002","9.864","0.002","24.777","0.009","90","","90","","120","","2087.8","1","293","2","293","2","","","","","","","","7","P 32","P 32","145","00389","","","- C24 H20 F6 Fe N4 O6 S2 -","- C24 H20 F6 Fe N4 O6 S2 -","- C72 H60 F18 Fe3 N12 O18 S6 -","3","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","","0.0994","0.0786","","","0.2068","0.2227","","","","","","1.045","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4117238","17.4843","0.0002","17.4843","0.0002","22.5856","0.0005","90","","90","","120","","5979.42","0.16","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C48 H75 Br2 O46 Sr -","- C48 H75 Br2 O46 Sr -","- C144 H225 Br6 O138 Sr3 -","3","1","","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","","","1.54178","CuKα","","0.0906","0.0899","","","0.2337","0.2351","","","","","","1.031","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117507","10.5462","0.0003","10.5462","0.0003","24.2854","0.0016","90","","90","","120","","2339.2","0.18","110","","110","","","","","","","","","4","P 32","P 32","145","","","","- C28 H58 P4 Ru -","- C28 H58 P4 Ru -","- C84 H174 P12 Ru3 -","3","1","","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","","","0.71073","MoKα","","0.0293","0.0268","","","0.0583","0.0595","","","","","","1.056","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117612","15.3873","0.0003","15.3873","0.0003","23.2288","0.0004","90","","90","","120","","4763.02","0.15","193","2","193","2","","","","","","","","3","P 32","P 32","145","","","","- C45 H36 O -","- C45 H36 O -","- C270 H216 O6 -","6","2","","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","","0.0339","0.0326","","","0.0857","0.0865","","","","","","1.224","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117746","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Jeffrey S. Bandar; Tristan H. Lambert","Enantioselective Brønsted Base Catalysis with Chiral Cyclopropenimines","Journal of the American Chemical Society","2012","134","","5552","5555","10.1021/ja3015764","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4119561","20.097","0.003","20.097","0.003","14.3196","0.0019","90","","90","","120","","5008.7","1.2","273","","273","","","","","","","","","5","P 32","P 32","145","","","","- C39 H37 N5 O3 Zn -","- C39.5 H38 N5.25 O3 Zn -","- C237 H228 N31.5 O18 Zn6 -","6","2","","Yoshinao Shinozaki; Gary Richards; Keizo Ogawa; Akihito Yamano; Kazuaki Ohara; Kentaro Yamaguchi; Shin-ichiro Kawano; Kentaro Tanaka; Yasuyuki Araki; Takehiko Wada; Joe Otsuki","Double Helices of a Pyridine-Appended Zinc Chlorophyll Derivative","Journal of the American Chemical Society","2013","135","","5262","5265","10.1021/ja400493e","","","0.71075","MoKα","","","0.0727","","","","0.212","","","","","","1.102","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4120228","13.1073","0.0019","13.1073","0.0019","12.63","0.003","90","","90","","120","","1879.1","0.6","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C93 H96 O12 -","3","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0285","0.0285","","","0.0763","0.0764","","","","","","1.059","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120283","14.047","0.0008","14.047","0.0008","43.104","0.003","90","","90","","120","","7365.7","0.8","150","2","150","2","","","","","","","","7","P 32","P 32","145","","","","- C77 H157 K N O22 Si5 U -","- C77 H157 K N O22 Si5 U -","- C231 H471 K3 N3 O66 Si15 U3 -","3","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0989","0.064","","","0.1083","0.1232","","","","","","1.022","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4121533","20.2126","0.0014","20.2126","0.0014","45.41","0.007","90","","90","","120","","16067","3","90","2","90","2","","","","","","","","5","P 32","P 32","145","","","","- C148 H202.17 N51 O65.5 Pd8 -","- C148 H184 N51 O65.5 Pd8 -","- C444 H552 N153 O196.5 Pd24 -","3","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.2232","0.1362","","","0.3402","0.3944","","","","","","1.253","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121941","13.8575","0.0015","13.8575","0.0015","12.3672","0.0013","90","","90","","120","","2056.7","0.4","296","2","296","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H28 Cl N O6 S -","- C27 H28 Cl N O6 S -","- C81 H84 Cl3 N3 O18 S3 -","3","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","","0.0805","0.0399","","","0.0744","0.089","","","","","","1.016","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4123044","13.6344","0.0017","13.6344","0.0017","34.41","0.004","90","","90","","120","","5539.7","1.2","123","2","123","2","","","","","","","","6","P 32","P 32","145","","","","- C76 H111 K N5 O10 V -","- C76 H111 K N5 O10 V -","- C228 H333 K3 N15 O30 V3 -","3","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.0733","0.0558","","","0.1204","0.1332","","","","","","1.053","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123578","18.8316","0.0004","18.8316","0.0004","6.8064","0.0002","90","","90","","120","","2090.37","0.09","100","2","100","2","","","","","","","","3","P 32","P 32","145","AM-II-2","sarpong93","","- C10 H16 O2 -","- C10 H16 O2 -","- C90 H144 O18 -","9","3","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0296","0.0284","","","0.0693","0.0703","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124123","11.51593","","11.51593","","8.400845","","90","","90","","120","","964.832","","","","","","","","","","","","","2","P 32","P 32","145","","","","- Be Cl2 -","- Be Cl2 -","- Be9 Cl18 -","9","3","","Zwijnenburg, M.A.; Cora, F.; Bell, R.G.","Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2","Journal of the American Chemical Society","2008","130","","11082","11087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124406","9.7301","0.0005","9.7301","0.0005","28.7268","0.0016","90","","90","","120","","2355.3","0.2","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C41 H36 N2 O -","- C41 H36 N2 O -","- C123 H108 N6 O3 -","3","1","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","1.54178","CuKα","","0.0269","0.0268","","","0.0681","0.0682","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4125974","10.8165","0.0004","10.8165","0.0004","16.2708","0.0005","90","","90","","120","","1648.59","0.1","173","2","173","2","","","","","","","","3","P 32","P 32","145","","","","- C29 H29 N -","- C29 H29 N -","- C87 H87 N3 -","3","1","","Panda, Santanu; Ready, Joseph M.","Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.","Journal of the American Chemical Society","2017","139","17","6038","6041","10.1021/jacs.7b01410","","","1.54184","CuKα","","0.0439","0.0425","","","0.1161","0.1183","","","","","","1.046","","","","has coordinates","197409","2020-10-21","18:00:00",""
"4126732","8.9278","0.0002","8.9278","0.0002","16.4399","0.0005","90","","90","","120","","1134.8","0.05","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C60 H54 O6 -","3","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0283","0.0281","","","0.072","0.0722","","","","","","1.025","","","","has coordinates","203181","2020-10-21","18:00:00",""
"4127020","15.3002","0.00012","15.3002","0.00012","42.667","0.0004","90","","90","","120","","8650.02","0.13","150","0.1","150","0.1","","","","","","","","7","P 32","P 32","145","","","","- C44 H104.5 Ag14 B60 N14.5 O3 S12 -","- C44 H104.5 Ag14 B60 N14.5 O3 S12 -","- C132 H313.5 Ag42 B180 N43.5 O9 S36 -","3","1","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0372","0.0357","","","0.0973","0.0983","","","","","","1.029","","","","has coordinates,has disorder","205093","2020-10-21","18:00:00",""
"4127805","15.6672","0.0001","15.6672","0.0001","6.9521","0.0001","90","","90","","120","","1477.85","0.03","100","2","100","2","","","","","","","","3","P 32","P 32","145","","","","- C20 H32 O -","- C20 H32 O -","- C60 H96 O3 -","3","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0585","0.0501","","","0.1217","0.1303","","","","","","1.075","","","","has coordinates","220977","2020-10-21","18:00:00",""
"4127844","18.123","0.0008","18.123","0.0008","11.2238","0.0007","90","","90","","120","","3192.5","0.3","298","","298","","","","","","","","","5","P 32","P 32","145","","","MUV-11","- C28.21 H25.82 N7.4 O13.4 Ti2 -","- C28.209 H25.821 N7.403 O13.403 Ti2 -","- C84.627 H77.4629 N22.209 O40.209 Ti6 -","3","1","","Padial, Natalia M.; Castells-Gil, Javier; Almora-Barrios, Neyvis; Romero-Angel, María; da Silva, Iván; Barawi, Mariam; García-Sánchez, Alba; de la Peña O'Shea, Víctor A; Martí-Gastaldo, Carlos","Hydroxamate Titanium-Organic Frameworks and the Effect of Siderophore-Type Linkers over Their Photocatalytic Activity.","Journal of the American Chemical Society","2019","141","33","13124","13133","10.1021/jacs.9b04915","powder diffraction","","0.41307","synchrotron","","0.426454","","","","","","","","1.27354","","","","","","","has coordinates","221015","2020-10-21","18:00:00",""
"4128217","14.7106","0.0004","14.7106","0.0004","14.6565","0.0007","90","","90","","120","","2746.77","0.17","100","2","100","2","","","","","","","","3","P 32","P 32","145","mestranol rotor","(8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.7749","synchrotron","","0.0507","0.0419","","","0.0932","0.098","","","","","","1.048","","","","has coordinates,has disorder","221347","2020-10-21","18:00:00",""
"4128218","14.758","0.004","14.758","0.004","14.683","0.004","90","","90","","120","","2769.5","1.3","100","2","100","2","","","","","","","","4","P 32","P 32","145","Solid solution 1(1-x)2x, x=0.2 where 1 is the mestranol rotor and 2 is the difluoromestranol rotor","Solid solution of (8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (80%) and solute, same compound containing 2,3-difluorophenylene, (20%)","","- C48 H53.6 F0.4 O4 -","- C48 H53.6 F0.4 O4 -","- C144 H160.8 F1.2 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.71073","MoKα","","0.0712","0.0509","","","0.1082","0.119","","","","","","1.047","","","","has coordinates,has disorder","221348","2020-10-21","18:00:00",""
"4129051","17.4837","0.0014","17.4837","0.0014","29.713","0.003","90","","90","","120","","7865.8","1.2","172","2","172","2","","","","","","","","3","P 32","P 32","145","","","","- C28 H44 O3 -","- C28 H44 O3 -","- C336 H528 O36 -","12","4","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","0.71073","MoKα","","0.0524","0.0408","","","0.0862","0.0911","","","","","","1.001","","","","has coordinates","222054","2020-10-21","18:00:00",""
"4130476","13.7509","0.0013","13.7509","0.0013","10.8608","0.0014","90","","90","","120","","1778.5","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C24 H28 N2 O4 S -","- C24 H28 N2 O4 S -","- C72 H84 N6 O12 S3 -","3","1","","Liu, Yong Ethan; Lu, Zhaole; Li, Bo; Tian, Jiaxin; Liu, Feng; Zhao, Junyu; Hou, Chengkang; Li, Yingkun; Niu, Lili; Zhao, Baoguo","Enzyme-Inspired Axially Chiral Pyridoxamines Armed with a Cooperative Lateral Amine Chain for Enantioselective Biomimetic Transamination.","Journal of the American Chemical Society","2016","138","34","10730","10733","10.1021/jacs.6b03930","","","0.71073","MoKα","","0.0688","0.0539","","","0.1231","0.1318","","","","","","1.043","","","","has coordinates","240900","2020-10-21","18:00:00",""
"4131088","25.197","0.003","25.197","0.003","26.498","0.003","90","","90","","120","","14569","3","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C124 H132 Cl2 F28 N14 O12 S4 -","- C124 H132 Cl2 F28 N14 O12 S4 -","- C372 H396 Cl6 F84 N42 O36 S12 -","3","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.113","0.0871","","","0.2144","0.2267","","","","","","1.082","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131221","32.9074","0.0006","32.9074","0.0006","17.7716","0.0004","90","","90","","120","","16666.5","0.6","100","0.2","100","0.2","","","","","","","","7","P 32","P 32","145","","","","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C224 H164 Cl39 Ir3 N6 O20 P6 -","- C672 H492 Cl117 Ir9 N18 O60 P18 -","3","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","1.54178","CuKα","","0.062","0.0579","","","0.1523","0.1558","","","","","","1.202","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4134312","19.1159","0.0011","19.1159","0.0011","9.6917","0.0006","90","","90","","120","","3067","0.3","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C44 H60 Co O4 P2 -","- C44 H60 Co O4 P2 -","- C132 H180 Co3 O12 P6 -","3","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1075","0.0791","","","0.1304","0.142","","","","","","1.073","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4303113","11.9873","0.0006","11.9873","0.0006","13.5583","0.0008","90","","90","","120","","1687.25","0.16","100","2","100","2","","","","","","","","6","P 32","P 32","145","","","","- C19 H26 Br2 N3 O3 Rh -","- C19 H26 Br2 N3 O3 Rh -","- C57 H78 Br6 N9 O9 Rh3 -","3","1","","Felix Konrad; Julio Lloret Fillol; Hubert Wadepohl; Lutz H. Gade","Bis(oxazolinylmethyl)pyrrole Derivatives and Their Coordination as Chiral ""Pincer"" Ligands to Rhodium","Inorganic Chemistry","2009","48","","8523","8535","10.1021/ic901189k","","x-ray","0.71073","MoKα","","0.0688","0.0431","","","0.0804","0.0896","","","","","","1.043","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303752","13.0871","0.0002","13.0871","0.0002","29.835","0.0006","90","","90","","120","","4425.31","0.13","110","2","110","","","","","","","","","7","P 32","P 32","145","","","","- C10 H28 F Ga3 N4 O20.75 P4 -","- C10 H28 F Ga3 N4 O20.75 P4 -","- C60 H168 F6 Ga18 N24 O124.5 P24 -","6","2","","Sarah J. Choyke; Samuel M. Blau; Abigail A. Larner; Amy Narducci Sarjeant; Jeongho Yeon; P. Shiv Halasyamani; Alexander J. Norquist","Noncentrosymmetry in New Templated Gallium Fluorophosphates","Inorganic Chemistry","2009","48","","11277","11282","10.1021/ic901770e","","","0.71073","MoKα","","0.0594","0.0465","","0.1099","0.1045","0.1005","","","","","","0.9165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313525","15.2867","0.0001","15.2867","0.0001","13.716","0.0001","90","","90","","120","","2775.78","0.03","173","","173","","","","","","","","","6","P 32","P 32","145","","","","- C28 H41 Cl2 N7 Ni O14 -","- C27.5 H37 Cl2 N7 Ni O14 -","- C82.5 H111 Cl6 N21 Ni3 O42 -","3","1","","Christophe Stroh; Elie Belorizky; Philippe Turek; Hélène Bolvin; Raymond Ziessel","Aminomethyl-bipyridine Bearing Two Flexible Nitronyl-nitroxide Arms: A New Podand for Complexation of Transition Metals in a Facial or Meridional Conformation","Inorganic Chemistry","2003","42","","2938","2949","10.1021/ic020484v","","","0.71073","Mo-Kα","","0.068","0.058","","0.185","","0.075","","","3.472","","","1.416","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4313527","15.4545","0.0003","15.4545","0.0003","13.5594","0.0003","90","","90","","120","","2804.67","0.1","173","","173","","","","","","","","","6","P 32","P 32","145","","","","- C28 H41 Cl4 N7 O13 Zn -","- C28 H25 Cl4 N7 O13 Zn -","- C84 H75 Cl12 N21 O39 Zn3 -","3","1","","Christophe Stroh; Elie Belorizky; Philippe Turek; Hélène Bolvin; Raymond Ziessel","Aminomethyl-bipyridine Bearing Two Flexible Nitronyl-nitroxide Arms: A New Podand for Complexation of Transition Metals in a Facial or Meridional Conformation","Inorganic Chemistry","2003","42","","2938","2949","10.1021/ic020484v","","","0.71073","Mo-Kα","","0.084","0.075","","0.129","","0.096","","","1.784","","","1.33","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4315172","9.7099","0.0003","9.7099","0.0003","23.4092","0.0019","90","","90","","120","","1911.38","0.18","180","2","180","2","","","","","","","","4","P 32","P 32","145","","","","- C30 H32 N4 Zn -","- C30 H32 N4 Zn -","- C90 H96 N12 Zn3 -","3","1","","Andrés Garcés; Luis F. Sánchez-Barba; Carlos Alonso-Moreno; Mariano Fajardo; Juan Fernández-Baeza; Antonio Otero; Agustín Lara-Sánchez; Isabel López-Solera; Ana María Rodríguez","Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Complexes: Synthesis, Coordination Chemistry, and Ring-Opening Polymerization Studies on Cyclic Esters","Inorganic Chemistry","2010","49","","2859","2871","10.1021/ic902399r","","","0.71073","MoKα","","0.0596","0.0467","","","0.1171","0.1288","","","","","","0.829","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315684","9.8102","0.0001","9.8102","0.0001","26.2483","0.0004","90","","90","","120","","2187.7","0.05","90","0.2","90","0.2","","","","","","","","5","P 32","P 32","145","","","","- C26 H42 B Mn N10 -","- C26 H42 B Mn N10 -","- C78 H126 B3 Mn3 N30 -","3","1","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Jeffrey R. Withers; Shari Brauer; Michael R. Rhodes; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Stephen M. Holmes","First Structurally Characterized Tricyanomanganate(III) and its Magnetic {MnIII2MII2} Complexes (MII= Mn, Ni)","Inorganic Chemistry","2010","49","","4753","4755","10.1021/ic1006605","","","0.71073","MoKα","","0.0652","0.0427","","","0.08","0.0877","","","","","","1.033","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4316802","24.402","0.0008","24.402","0.0008","13.7461","0.0006","90","","90","","120","","7088.6","0.5","150","2","150","2","","","","","","","","7","P 32","P 32","145","","bis{tris(allyl)cyclotriguaiacylene}disilver(I) hexafluoroantimonate","","- C66 H72 Ag2 F12 N0 O12 Sb2 -","- C66 H72 Ag2 F12 O12 Sb2 -","- C198 H216 Ag6 F36 O36 Sb6 -","3","1","","Marc A. Little; Malcolm A. Halcrow; Lindsay P. Harding; Michaele J. Hardie","Ag(I) Organometallic Coordination Polymers and Capsule with Tris-Allyl Cyclotriveratrylene Derivatives","Inorganic Chemistry","2010","49","","9486","9496","10.1021/ic101211n","","","0.71073","MoKα","","0.2028","0.1113","","","0.246","0.2717","","","","","","1.421","","","","has coordinates,has disorder","179248","2020-10-21","18:00:00",""
"4322999","35.35","0.0002","35.35","0.0002","21.3755","0.0002","90","","90","","120","","23132.7","0.3","173","2","173","2","","","","","","","","5","P 32","P 32","145","compound 7","","","- C10 H26 Cl2 O10 U -","- C10 H20 Cl2 O10 U -","- C480 H960 Cl96 O480 U48 -","48","16","","Hany Hassaballa; Jonathan W. Steed; Peter C. Junk; Mark R. J. Elsegood","Formation of Lanthanide and Actinide Oxonium Ion Complexes with Crown Ethers from a Liquid Clathrate Medium","Inorganic Chemistry","1998","37","","4666","4671","10.1021/ic9802597","","","0.7107","MoKα","","0.0866","0.0722","","","0.15","0.1575","","","","","","1.093","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4324238","11.261","0.009","11.261","0.009","22.75","0.02","90","","90","","120","","2498","4","150","2","150","2","","","","","","","","6","P 32","P 32","145","","","","- C29 H60 Li N5 O2 U -","- C29 H60 Li N5 O2 U -","- C87 H180 Li3 N15 O6 U3 -","3","1","","Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton","Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex","Inorganic Chemistry","2011","50","","636","646","10.1021/ic101847b","","","0.71073","MoKα","","0.0643","0.0611","","","0.153","0.1558","","","","","","1.05","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4326470","12.8884","0.0005","12.8884","0.0005","19.6867","0.0009","90","","90","","120","","2832.1","0.2","100","2","100","2","","","","","","","","6","P 32","P 32","145","","","","- C39 H29 Cd O3 P S6 -","- C39 H29 Cd O3 P S6 -","- C117 H87 Cd3 O9 P3 S18 -","3","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0429","0.0338","","","0.0788","0.0813","","","","","","1.014","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4329677","12.7814","0.0006","12.7814","0.0006","13.5912","0.0012","90","","90","","120","","1922.8","0.2","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H34 Cu3 N6 O11 -","- C18 H32 Cu3 N6 O11 -","- C54 H96 Cu9 N18 O33 -","3","1","","Chihiro Kachi-Terajima; Megumi Ishii; Toshiaki Saito; Chikahide Kanadani; Takunori Harada; Reiko Kuroda","Homochiral 1D Helical Chain Based on an Achiral Cu(II) Complex","Inorganic Chemistry","2012","51","","7502","7507","10.1021/ic202708e","","","0.71073","MoKα","","0.0252","0.0241","","","0.064","0.0643","","","","","","1.061","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329830","23.891","0.0004","23.891","0.0004","6.5072","0.0001","90","","90","","120","","3216.57","0.09","173","2","173","2","","","","","","","","6","P 32","P 32","145","","N,N-bis(trimethylsilyl)amino(dichloro)stibane","","- C6 H18 Cl2 N Sb Si2 -","- C6 H18 Cl2 N Sb Si2 -","- C54 H162 Cl18 N9 Sb9 Si18 -","9","3","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0432","0.0301","","","0.0437","0.0463","","","","","","0.982","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4333118","11.744","0.0001","11.744","0.0001","23.9252","0.0002","90","","90","","120","","2857.71","0.04","100","2","100","2","","","","","","","synthesis","6","P 32","P 32","145","","","","- C34 H46 Cl3 Cu3 N6 O4 -","- C34 H46 Cl3 Cu3 N6 O4 -","- C102 H138 Cl9 Cu9 N18 O12 -","3","1","","Díez, Josefina; Gamasa, M. Pilar; Panera, María","Tetra-, Di-, and Mononuclear Copper(I) Complexes Containing (S,S)-iPr-pybox and (R,R)-Ph-pybox Ligands","Inorganic Chemistry","2006","45","25","10043","10045","10.1021/ic061453t","","","1.54178","CuKα","","0.0534","0.0511","","","0.133","0.1355","","","","","","1.048","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4334469","12.5844","0.0018","12.5844","0.0018","31.621","0.006","90","","90","","120","","4336.8","1.2","100","2","100","2","","","","","","","","6","P 32","P 32","145","","(η^2^ ethylene)-{κ^2^ <i>C</i>,<i>N</i>-3-isopropyl-1-(pyrid-2-ylmethyl)- 2,3-dihydro-imidazole-2-ylidene}-{κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''- <i>tris</i>(pirazolyl)borate}- ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate","","- C55 H41 B2 F24 N9 Ru -","- C55 H41 B2 F24 N9 Ru -","- C165 H123 B6 F72 N27 Ru3 -","3","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0383","0.0357","","","0.0885","0.0899","","","","","","1.026","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4339282","41.7541","0.0003","41.7541","0.0003","9.4252","0.0001","90","","90","","120","","14230.5","0.2","130","2","130","2","","","","","","","","7","P 32","P 32","145","","","","- C39 H95.78 Co Gd N9 O30.89 P -","- C39 H61.3333 Co Gd N9 O31.1 P -","- C351 H552 Co9 Gd9 N81 O279.9 P9 -","9","3","","Tyeklar, Zoltan; Dunham, Stephen U.; Midelfort, Katarina; Scott, Daniel M.; Sajiki, Hirano; Ong, Karen; Lauffer, Randall B.; Caravan, Peter; McMurry, Thomas J.","Structural, kinetic, and thermodynamic characterization of the interconverting isomers of MS-325, a gadolinium(III)-based magnetic resonance angiography contrast agent.","Inorganic chemistry","2007","46","16","6621","6631","10.1021/ic7006843","","","0.71073","MoKα","","0.0717","0.0568","","0.1088","0.0947","","","","1.084","1.078","1.078","","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4345416","16.7746","0.0007","16.7746","0.0007","18.8965","0.0005","90","","90","","120","","4604.9","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H18 N2 O6 U -","- C18 H18 N2 O6 U -","- C162 H162 N18 O54 U9 -","9","3","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.038","0.0349","","","0.0794","0.0804","","","","","","1.077","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4348416","9.9964","0.0003","9.9964","0.0003","16.0766","0.0007","90","","90","","120","","1391.27","0.08","110","2","110","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C66 H63 N9 O6 -","3","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","1.54178","CuKα","","0.0285","0.0275","","","0.0686","0.0692","","","","","","1.111","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4500134","7.5301","0.0002","7.5301","0.0002","20.6215","0.001","90","","90","","120","","1012.63","0.06","90","0.2","90","0.2","","","","","","","","4","P 32","P 32","145","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C45 H48 N6 O6 -","3","1","","Long, Sihui; Siegler, Maxime A.; Mattei, Alessandra; Li, Tonglei","Phase Transition from TwoZ′ = 1 Forms to aZ′ = 2 Form of a Concomitant Conformational Polymorphic System","Crystal Growth & Design","2011","11","2","414","","10.1021/cg101009g","","","0.71073","MoKα","","0.1048","0.051","","","0.1128","0.136","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502462","15.49","0.003","15.49","0.003","12.785","0.004","90","","90","","120","","2656.6","1.1","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C35 H39 N3 O8 -","- C35 H39 N3 O8 -","- C105 H117 N9 O24 -","3","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","","0.0426","0.0356","","","0.0829","0.0865","","","","","","1.132","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4503189","10.599","0.001","10.599","0.001","9.806","0.002","90","","90","","120","","954","0.2","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","x-ray","0.71073","MoKα","","0.0245","0.0238","","","0.0593","0.0596","","","","","","1.05","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503862","9.0311","0.0004","9.0311","0.0004","24.502","0.003","90","","90","","120","","1730.7","0.2","150","","150","","","","","","","","","5","P 32","P 32","145","","","","- C26 H26 F2 N2 O4 -","- C26 H26 F2 N2 O4 -","- C78 H78 F6 N6 O12 -","3","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0593","0.046","","","0.1058","0.1152","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503863","8.9987","0.0003","8.9987","0.0003","24.529","0.002","90","","90","","120","","1720.16","0.16","150","","150","","","","","","","","","5","P 32","P 32","145","","","","- C26 H24 F2 N2 O4 -","- C26 H24 F2 N2 O4 -","- C78 H72 F6 N6 O12 -","3","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0447","0.0427","","","0.1153","0.1165","","","","","","1.52","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506950","12.415","0.0012","12.415","0.0012","44.499","0.005","90","","90","","120","","5939.8","1.1","200","2","200","2","","","101.325","","","","Synthesis","5","P 32","P 32","145","Tricyclic Phethiazole peptide","Tricyclic Phethiazole peptide","","- C40 H38 N6 O5 S3 -","- C40 H38 N6 O5 S3 -","- C240 H228 N36 O30 S18 -","6","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","","0.0849","0.0641","","","0.1495","0.1622","","","","","","1.081","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4508532","14.832","0.003","14.832","0.003","14.751","0.003","90","","90","","120","","2810.3","1","100","2","100","2","","","","","","","","4","P 32","P 32","145","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53 F O4 -","- C144 H159 F3 O12 -","3","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.082","0.056","","","0.1174","0.1287","","","","","","1.071","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4511085","7.5301","0.0002","7.5301","0.0002","20.6215","0.001","90","","90","","120","","1012.63","0.06","90","2","90","2","","","","","","","","4","P 32","P 32","145","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C45 H48 N6 O6 -","3","1","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","0.71073","MoKα","","0.1032","0.0554","","","0.1264","0.1484","","","","","","0.986","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4514249","10.8566","0.0008","10.8566","0.0008","11.4924","0.0008","90","","90","","120","","1173.08","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 32","P 32","145","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C54 H51 N3 O9 -","3","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.0767","0.0538","","","0.1017","0.1193","","","","","","1.088","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514715","9.5332","0.0003","9.5332","0.0003","19.5349","0.0008","90","","90","","120","","1537.51","0.09","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C23 H21 Br N2 O3 -","- C23 H21 Br N2 O3 -","- C69 H63 Br3 N6 O9 -","3","1","","Das, Tamal Kanti; Ghosh, Avik; Balanna, Kuruva; Behera, Pradipta; Gonnade, Rajesh G.; Marelli, Udaya Kiran; Das, Abhijit Kumar; Biju, Akkattu T.","N-Heterocyclic Carbene-Catalyzed Umpolung of Imines for the Enantioselective Synthesis of Dihydroquinoxalines","ACS Catalysis","2019","9","5","4065","","10.1021/acscatal.9b00737","","","0.71073","MoKα","","0.0205","0.0193","","","0.0478","0.048","","","","","","1.058","","","","has coordinates","219880","2020-10-21","18:00:00",""
"4516785","20.8804","0.0007","20.8804","0.0007","11.5639","0.0005","90","","90","","120","","4366.3","0.3","100","","100","","","","","","","","","4","P 32","P 32","145","6-AH-235","6-AH-235","","- C58 H90.76 N2 O18.38 -","- C58 H90.764 N2 O18.382 -","- C174 H272.292 N6 O55.146 -","3","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0537","0.0448","","","0.1071","0.113","","","","","","1.023","","","","has coordinates","239537","2020-10-21","18:00:00",""
"4518139","11.8747","0.0017","11.8747","0.0017","43.884","0.009","90","","90","","120","","5359","1.5","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C42.67 H28.17 Cl4 N2.83 O4.83 -","- C42.652 H28.188 Cl4 N2.884 O4.884 -","- C255.912 H169.128 Cl24 N17.304 O29.304 -","6","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.66002","synchrotron","","0.0844","0.0688","","","0.1682","0.1817","","","","","","0.994","","","","has coordinates","258383","2020-10-21","18:00:00",""
"4518946","10.1942","0.0009","10.1942","0.0009","14.1934","0.0017","90","","90","","120","","1277.4","0.2","193","","193","","","","","","","","","4","P 32","P 32","145","","","","- C20 H25 N O -","- C20 H25 N O -","- C60 H75 N3 O3 -","3","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0712","0.0517","","","0.115","0.1263","","","","","","1.032","","","","has coordinates","267920","2021-08-03","19:40:35",""
"4519230","12.5608","0.0008","12.5608","0.0008","22.1603","0.0016","90","","90","","120","","3027.9","0.3","273.15","","273.15","","","","","","","","","4","P 32","P 32","145","","","","- C50 H47 O2 P -","- C50 H47 O2 P -","- C150 H141 O6 P3 -","3","1","","Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide","ACS Catalysis","2021","","","193","199","10.1021/acscatal.1c05080","","","0.71073","MoKα","","0.1154","0.0667","","","0.1457","0.1659","","","","","","1.045","","","","has coordinates","271726","2022-01-03","20:52:43",""
"7000415","12.5125","0.0018","12.5125","0.0018","29.518","0.008","90","","90","","120","","4002.3","1.4","30","2","30","2","","","","","","","","7","P 32","P 32","145","","","","- C32 H68 Al5 F N4 O20 P6 -","- C32 H68 Al5 F N4 O20 P6 -","- C96 H204 Al15 F3 N12 O60 P18 -","3","1","","Byrne, Peter J.; Wragg, David S.; Warren, John E.; Morris, Russell E.","Ionothermal synthesis of two novel metal organophosphonates","Dalton Transactions","2009","","5","795","799","10.1039/b813731e","","","0.6703","synchrotron","","0.1368","0.0694","","","0.143","0.1743","","","","","","0.969","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7003333","13.9674","0.0003","13.9674","0.0003","11.9283","0.0003","90","","90","","120","","2015.3","0.08","123","2","123","2","","","","","","","","6","P 32","P 32","145","","","","- C19 H13 Bi F18 N2 O3 -","- C19 H13 Bi F18 N2 O3 -","- C57 H39 Bi3 F54 N6 O9 -","3","1","","Andrews, Philip C.; Junk, Peter C.; Nuzhnaya, Iryna; Spiccia, Leone","Fluorinated bismuth alkoxides: from monomers to polymers and oxo-clusters","Dalton Transactions","2008","","19","2557","2568","10.1039/b715623e","","","0.71073","MoKα","","0.0472","0.0359","","","0.0522","0.0556","","","","","","0.969","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7003484","11.8527","0.0003","11.8527","0.0003","27.03","0.0011","90","","90","","120","","3288.6","0.18","123","2","123","2","","","","","","","","4","P 32","P 32","145","","","","- C32 H80 Al4 Sm2 -","- C32 H80 Al4 Sm2 -","- C96 H240 Al12 Sm6 -","3","1","","Sommerfeldt, Hanne-Marthe; Meermann, Christian; Schrems, Marcus G.; Törnroos, Karl W.; Frøystein, Nils Åge; Miller, Robert J.; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Anwander, Reiner","Characterization and reactivity of peralkylated LnIIAlIII heterobimetallic complexes","Dalton Transactions","2008","","14","1899","1907","10.1039/b716603f","","","0.71073","MoKα","","0.056","0.0506","","","0.1196","0.1235","","","","","","1.068","","","","has coordinates,has disorder","179738","2020-10-21","18:00:00",""
"7005281","12.6954","0.0003","12.6954","0.0003","24.3493","0.001","90","","90","","120","","3398.68","0.18","100","2","100","2","","","","","","","","5","P 32","P 32","145","(2,2-bis(benzanthracenol imine)binaphthyl Fe(ii)) (Et2O)","[2,2-bis(benzanthracenol imine)binaphthyl Fe(II)] (Et2O)","","- C62 H44 Fe N2 O3 -","- C62 H44 Fe N2 O3 -","- C186 H132 Fe3 N6 O9 -","3","1","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(II) and zinc(II) monohelical binaphthyl-salen complexes with overlapping benz[a]anthryl sidearms.","Dalton transactions (Cambridge, England : 2003)","2007","","15","1520","1527","10.1039/B700001D","","","0.71073","MoKα","","0.0622","0.0524","","","0.1178","0.1231","","","","","","1.017","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7007615","17.7096","0.0002","17.7096","0.0002","12.2877","0.0001","90","","90","","120","","3337.48","0.06","173","2","173","2","","","","","","","synthesis as described","7","P 32","P 32","145","","","","- C41 H61 Cl3 In Li N2 O2 -","- C41 H61 Cl3 In Li N2 O2 -","- C123 H183 Cl9 In3 Li3 N6 O6 -","3","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0262","0.0241","","","0.0548","0.0559","","","","","","1.029","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7008126","16.224","0.006","16.224","0.006","15.949","0.008","90","","90","","120","","3636","3","293","2","293","2","","","","","","","","7","P 32","P 32","145","","","","- C44 H34 B F24 Mo N3 O2 -","- C44 H34 B F24 Mo N3 O2 -","- C132 H102 B3 F72 Mo3 N9 O6 -","3","1","","Pérez, Julio; Morales, Dolores; Nieto, Sonia; Riera, Lucía; Riera, Víctor; Miguel, Daniel","New [Mo(eta3-allyl)(CO)2L3]+ complexes with monodentate or tridentate nitrogen-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","5","884","888","10.1039/b417332e","","","0.71073","MoKα","","0.1555","0.0829","","","0.2042","0.2559","","","","","","1.033","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7009886","11.249","0.001","11.254","0.004","20.307","0.006","90.03","0.03","90.03","0.02","119.95","0.02","2227.5","1.1","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C24 H21 Co F12 N2 O6 -","- C24 H21 Co F12 N2 O6 -","- C72 H63 Co3 F36 N6 O18 -","3","1","","Caneschi, Andrea; Gatteschi, Dante; Lalioti, Nikolia; Sangregorio, Claudio; Sessoli, Roberta","Supramolecular interactions and magnetism of metal‒radical chains †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3907","","10.1039/b004244g","","","0.71069","MoKa","","0.0675","0.0515","","0.1556","0.1349","","","","1.067","1.047","1.047","","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7011913","12.665","0.002","12.665","","27.86","0.003","90","","90","","120","","3870.1","0.7","296","2","296.2","","","","","","","","","7","P 32","P 32","145","","","","- C42 H52 Cl Cu2 Fe N14 O12 -","- C42 H52 Cl Cu2 Fe N14 O12 -","- C126 H156 Cl3 Cu6 Fe3 N42 O36 -","3","1","","Parker, Richard J.; Lu, Kevin D.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.; Spiccia, Leone; Cashion, John D.; Rae, A. David; Willis, Anthony C.","Synthesis, crystal structures and magnetic properties of linear and bent trinuclear complexes formed by hexacyanometallates and copper(ii) complexes","Journal of the Chemical Society, Dalton Transactions","2002","","19","3723","","10.1039/b205749m","","","1.5418","CuKα","","0.057","0.044","","0.063","","0.061","","","1.35","","","1.41","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014851","10.7292","0.0003","10.7292","","29.5051","0.0009","90","","90","","120","","2941.46","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C21 H35 N O2 -","- C21 H35 N O2 -","- C126 H210 N6 O12 -","6","2","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.0412","0.0367","","","0.0879","0.0903","","","","","","1.198","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016556","8.9721","0.0008","8.9721","0.0008","15.304","0.003","90","","90","","120","","1066.9","0.2","100","2","296","2","","","","","","","","4","P 32","P 32","145","MVLIF-1","","","- C14 H13 Li N6 -","- C14 H13 Li N6 -","- C42 H39 Li3 N18 -","3","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","A mixed ligand route for the construction of tetrahedrally coordinated porous lithium frameworks.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8072","8074","10.1039/c1dt10859j","","","0.71073","MoKα","","0.0464","0.0414","","","0.1098","0.1163","","","","","","0.679","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7020654","14.087","0.002","14.087","0.002","10.146","0.001","90","","90","","120","","1743.7","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Tm -","- F4 K Tm -","- F72 K18 Tm18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.031","0.0301","","","0.0385","0.0386","","","","1.73","1.73","1.71","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020655","14.006","0.002","14.006","0.002","10.062","0.001","90","","90","","120","","1709.4","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Y -","- F4 K Y -","- F72 K18 Y18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.073","0.073","","","0.0724","0.0724","","","","2.67","2.67","2.67","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020656","14.163","0.001","14.163","0.001","10.19","0.001","90","","90","","120","","1770.2","0.2","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Y -","- F4 K Y -","- F72 K18 Y18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0361","0.0306","","","0.04","0.0409","","","","1.21","1.21","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020657","13.754","0.003","13.754","0.003","9.891","0.002","90","","90","","120","","1620.4","0.6","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Yb -","- F4 K Yb -","- F72 K18 Yb18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0828","0.0828","","","0.0862","0.0862","","","","3.81","3.81","3.81","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020658","14.026","0.002","14.026","0.002","10.119","0.001","90","","90","","120","","1724","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Yb -","- F4 K Yb -","- F72 K18 Yb18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0587","0.0381","","","0.0353","0.0384","","","","1.18","1.18","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024408","6.1596","0.0007","6.1596","0.0007","16.966","0.004","90","","90","","120","","557.46","0.16","150","2","150","2","","","","","","","","4","P 32","P 32","145","","","","- C5 H8 N4 O3 -","- C5 H8 N4 O3 -","- C15 H24 N12 O9 -","3","1","","Schilter, David; Clegg, Jack K.; Harding, Margaret M.; Rendina, Louis M.","Platinum(II) and palladium(II) metallomacrocycles derived from cationic 4,4'-bipyridinium, 3-aminopyrazinium and 2-aminopyrimidinium ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","239","247","10.1039/b916579g","","","0.71073","MoKα","","0.027","0.0266","","","0.0685","0.069","","","","","","0.983","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7024897","17.902","0.007","17.902","0.007","24.589","0.01","90","","90","","120","","6825","5","150","2","150","2","","","","","","","","7","P 32","P 32","145","","","","- C17 H49 B2 I P2 Si2 Sn -","- C17 H43 B2 I P2 Si2 Sn -","- C153 H387 B18 I9 P18 Si18 Sn9 -","9","3","","Wills, Corinne; Izod, Keith; Clegg, William; Harrington, Ross W.","Oxidation reactions of a phosphine-borane-stabilised dialkylstannylene.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2379","2384","10.1039/b922507b","","","0.71073","MoKα","","0.0765","0.0468","","","0.0754","0.0845","","","","","","1.027","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7029940","7.8439","0.0003","7.8439","0.0003","25.448","0.0007","90","","90","","120","","1355.96","0.08","120","2","120","2","","","","","","","","6","P 32","P 32","145","","","","- C12 H16 Cl4 N4 O2 Pt -","- C12 H16 Cl4 N4 O2 Pt -","- C36 H48 Cl12 N12 O6 Pt3 -","3","1","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0244","0.023","","","0.0506","0.0513","","","","","","1.05","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7035447","12.3296","0.0001","12.3296","0.0001","24.76","0.0003","90","","90","","120","","3259.71","0.05","150","","150","","","","","","","","","6","P 32","P 32","145","","","","- C50 H69 B F Fe N -","- C50 H69 B F Fe N -","- C150 H207 B3 F3 Fe3 N3 -","3","1","","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","","0.0354","0.0341","","0.0926","0.0885","0.092","","","","","","0.9938","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035767","19.0913","0.0003","19.0913","0.0003","11.7929","0.0005","90","","90","","120","","3722.39","0.18","291","2","291","2","","","","","","","","4","P 32","P 32","145","","","","- C24 H32 O34 U4 -","- C24 H32 O34 U4 -","- C72 H96 O102 U12 -","3","1","","Wang, Juan; Wei, Zhen; Guo, Fengwan; Li, Chenyang; Zhu, Pengfei; Zhu, Wenhua","Homochiral 3D coordination polymer with unprecedented three-directional helical topology from achiral precursor: synthesis, crystal structure, and luminescence properties of uranyl succinate metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13809","13813","10.1039/c5dt02111a","","","0.71073","MoKα","","0.051","0.044","","","0.1137","0.1154","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7040537","11.52064","0.00015","11.52064","0.00015","22.9152","0.0003","90","","90","","120","","2633.95","0.06","150","0.1","150","0.1","","","","","","","","6","P 32","P 32","145","","","","- C39 H38 Cl2 O3 P2 Pt -","- C39 H38 Cl2 O3 P2 Pt -","- C117 H114 Cl6 O9 P6 Pt3 -","3","1","","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","","","0.71073","MoKα","","0.0227","0.02","","","0.0353","0.0363","","","","","","1.048","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040539","10.6324","0.0003","10.6324","0.0003","24.9502","0.0008","90","","90","","120","","2442.68","0.13","150","2","150","0.2","","","","","","","","6","P 32","P 32","145","","","","- C41 H35 Cl O3 P Rh -","- C41 H35 Cl O3 P Rh -","- C123 H105 Cl3 O9 P3 Rh3 -","3","1","","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","","","0.71073","MoKα","","0.0413","0.0351","","","0.0638","0.068","","","","","","1.068","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7041316","10.5395","0.0002","10.5395","0.0002","36.9255","0.0011","90","","90","","120","","3552.2","0.14","193","2","193","2","","","","","","","","5","P 32","P 32","145","","","","- C48 H54 N6 O11 Zn -","- C48 H54 N6 O11 Zn -","- C144 H162 N18 O33 Zn3 -","3","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","","0.0373","0.0369","","","0.1054","0.1057","","","","","","1.057","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7043484","18.90091","0.00013","18.90091","0.00013","21.121","0.0002","90","","90","","120","","6534.47","0.09","180.1","0.3","180.1","0.3","","","","","","","","6","P 32","P 32","145","","","","- C39 H43 Cl6 Cr2 N9 O3 -","- C39 H43 Cl6 Cr2 N9 O3 -","- C234 H258 Cl36 Cr12 N54 O18 -","6","2","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","x-ray","1.5418","CuKα","","0.0501","0.0462","","","0.1114","0.114","","","","","","1.026","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7046916","14.0472","0.0003","14.0472","0.0003","66.0924","0.0014","90","","90","","120","","11294.4","0.4","200","2","200","2","","","","","","","","5","P 32","P 32","145","","","","- C54 H120 Ce O17.5 Si4 -","- C54 H120 Ce O17.5 Si4 -","- C324 H720 Ce6 O105 Si24 -","6","2","","Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner","Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10113","10123","10.1039/c8dt01878b","","","0.71073","MoKα","","0.0692","0.055","","","0.1116","0.1154","","","","","","1.011","","","","has coordinates,has disorder","229805","2020-10-21","18:00:00",""
"7047730","12.2217","0.0005","12.2217","0.0005","10.6077","0.0007","90","","90","","120","","1372.19","0.12","298","2","298","2","","","","","","","","6","P 32","P 32","145","","","","- C17 H24 Cl Ge N O -","- C17 H24 Cl Ge N O -","- C51 H72 Cl3 Ge3 N3 O3 -","3","1","","Bakthavachalam, K.; Dutta, Sayan; C, Arivazhagan; Raghavendra, Beesam; Haridas, Anagha; Sen, Sakya S.; Koley, Debasis; Ghosh, Sundargopal","Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15835","15844","10.1039/c8dt03166e","","","0.71073","MoKα","","0.0687","0.0497","","","0.1088","0.1235","","","","","","1.004","","","","has coordinates","229269","2020-10-21","18:00:00",""
"7050708","16.7686","0.0015","16.7686","0.0015","34.515","0.003","90","","90","","120","","8404.9","1.3","160","2","160","2","","","","","","","","5","P 32","P 32","145","","","","- C128 H150 Mo2 N10 O8 -","- C128 H148 Mo2 N10 O8 -","- C384 H444 Mo6 N30 O24 -","3","1","","Gibson, Vernon C.; Redshaw, Carl; Elsegood, Mark R. J.","A novel ligand family based on bulky metallocalix[4 and 8]arene substituentsFirst presented at the 221st ACS National Meeting, San Diego, 1‒5th April 2001.","New Journal of Chemistry","2002","26","1","16","","10.1039/b108088c","","","0.71073","MoKα","","0.1203","0.0718","","","0.1227","0.1429","","","","","","1.026","","","","has coordinates,has disorder","180061","2020-10-21","18:00:00",""
"7050915","9.5384","0.0004","9.5384","0.0004","33.0881","0.0016","90","","90","","120","","2607.1","0.2","150","2","150","2","","","","","","","","7","P 32","P 32","145","","","","- C35 H35 Au2 Cl2 N P2 Se -","- C35 H35 Au2 Cl2 N P2 Se -","- C105 H105 Au6 Cl6 N3 P6 Se3 -","3","1","","Durran, Sean E.; Elsegood, Mark R. J.; Smith, Martin B.","New complexes of functionalised ligands bearing P/N/Se or P2Se donor sets","New Journal of Chemistry","2002","26","10","1402","","10.1039/b204005k","","","0.71073","MoKα","","0.0192","0.0176","","","0.0343","0.0346","","","","","","0.843","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7052140","12.5397","0.0018","12.5397","0.0018","4.3463","0.0009","90","","90","","120","","591.87","0.17","180","","180","","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C8 H5 F3 N2 -","- C8 H5 F3 N2 -","- C24 H15 F9 N6 -","3","1","","Johannes Teichert; Pascal Oulié; Kane Jacob; Laure Vendier; Michel Etienne; Rosa M. Claramunt; Concepción López; Carlos Pérez Medina; Ibon Alkorta; José Elguero","The structure of fluorinated indazoles: the effect of the replacement of a H by a F atom on the supramolecular structure of NH-indazoles","New Journal of Chemistry","2007","31","6","936","","10.1039/b617988f","","","0.71073","MoKα","","0.1277","0.0885","","","0.1489","0.1687","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052141","12.5382","0.0018","12.5382","0.0018","4.9499","0.001","90","","90","","120","","673.9","0.19","180","","180","","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C8 H F7 N2 -","- C8 H F7 N2 -","- C24 H3 F21 N6 -","3","1","","Johannes Teichert; Pascal Oulié; Kane Jacob; Laure Vendier; Michel Etienne; Rosa M. Claramunt; Concepción López; Carlos Pérez Medina; Ibon Alkorta; José Elguero","The structure of fluorinated indazoles: the effect of the replacement of a H by a F atom on the supramolecular structure of NH-indazoles","New Journal of Chemistry","2007","31","6","936","","10.1039/b617988f","","","0.71073","MoKα","","0.1385","0.0418","","","0.0713","0.0934","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052779","14.8","0.003","14.8","0.003","34.447","0.011","90","","90","","120","","6534","3","298","2","298","2","","","","","","","","8","P 32","P 32","145","","","","- C84.33 H78.33 Cl F21 N0 O8 P2 Yb -","- C78 H69 F21 O8 P2 Yb -","- C234 H207 F63 O24 P6 Yb3 -","3","1","","Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui","Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?","New Journal of Chemistry","2011","35","11","2584","","10.1039/c1nj20430k","","","0.71073","MoKα","","0.0713","0.0622","","","0.1677","0.1759","","","","","","1.164","","","","has coordinates","282882","2023-04-27","15:29:03",""
"7054252","12.439","0.0007","12.439","0.0007","5.599","0.0009","90","","90","","120","","750.26","0.13","180","2","180","","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel","Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands","New Journal of Chemistry","2014","38","6","2451","","10.1039/c4nj00136b","","","0.71073","MoKα","","0.0649","0.0637","","","0.1567","0.1579","","","","","","1.091","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7057959","11.2011","0.0003","11.2011","0.0003","9.5878","0.0003","90","","90","","120","","1041.77","0.05","200","1","200","1","","","","","","","","5","P 32","P 32","145","","","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C45 H36 N6 O12 S3 -","3","1","","Vila, Carlos; Tortosa, Arturo; Blay, Gonzalo; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic enantioselective functionalization of indoles in the carbocyclic ring with cyclic imines","New Journal of Chemistry","2019","43","1","130","","10.1039/C8NJ05577G","","","0.71073","MoKα","","0.0515","0.0409","","","0.1007","0.1154","","","","","","0.821","","","","has coordinates","224750","2020-10-21","18:00:00",""
"7061612","16.216","0.003","16.216","0.003","5.1307","0.0005","90","","90","","120","","1168.4","0.3","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C42 H66 N6 O9 -","3","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.1659","0.1419","","","0.3939","0.4401","","","","","","1.393","","","","has coordinates,has disorder","277124","2022-08-06","11:56:25",""
"7100437","11.9662","0.0003","11.9662","0.0003","26.4783","0.0005","90","","90","","120","","3283.47","0.13","120","1","293","2","","","","","","","","8","P 32","P 32","145","","","","- C48 H51 B F5 N O2 P2 Pd -","- C48 H51 B F5 N O2 P2 Pd -","- C144 H153 B3 F15 N3 O6 P6 Pd3 -","3","1","","Annie-Claude Gaumont; Stephanie Pican","Palladium catalysed enantioselective phosphination reactions using secondary phosphine-boranes and aryl iodide","Chemical Communications","2005","","","","","10.1039/b501078k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7104697","20.444","0.002","20.444","0.002","16.064","0.003","90","","90","","120","","5814.5","1.4","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H22 Cd N2 O4 S2 -","- C27 H22 Cd N2 O4 S2 -","- C243 H198 Cd9 N18 O36 S18 -","9","3","","Feng, Rui; Jiang, Fei-Long; Chen, Lian; Yan, Chun-Feng; Wu, Ming-Yan; Hong, Mao-Chun","A luminescent homochiral 3D Cd(II) framework with a threefold interpenetrating uniform net 8(6).","Chemical communications (Cambridge, England)","2009","34","35","5296","5298","10.1039/b908792c","","","0.71073","MoKα","","0.0684","0.0613","","","0.1393","0.1446","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105466","10.4545","0.0008","10.4545","0.0008","34.431","0.004","90","","90","","120","","3259","0.5","291","2","291","2","","","","","","","","6","P 32","P 32","145","","","","- C44 H32 Dy F9 N2 O11 -","- C44 H32 Dy F9 N2 O11 -","- C132 H96 Dy3 F27 N6 O33 -","3","1","","Li, Dong-Ping; Wang, Tian-Wei; Li, Cheng-Hui; Liu, Dong-Sheng; Li, Yi-Zhi; You, Xiao-Zeng","Single-ion magnets based on mononuclear lanthanide complexes with chiral Schiff base ligands [Ln(FTA)3L] (Ln = Sm, Eu, Gd, Tb and Dy).","Chemical communications (Cambridge, England)","2010","46","17","2929","2931","10.1039/b924547b","","","0.71073","MoKα","","0.0686","0.0497","","","0.1084","0.1132","","","","","","0.845","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105467","10.4887","0.001","10.4887","0.001","34.49","0.004","90","","90","","120","","3286","0.6","291","2","291","2","","","","","","","","6","P 32","P 32","145","","","","- C44 H32 F9 Gd N2 O11 -","- C44 H32 F9 Gd N2 O11 -","- C132 H96 F27 Gd3 N6 O33 -","3","1","","Li, Dong-Ping; Wang, Tian-Wei; Li, Cheng-Hui; Liu, Dong-Sheng; Li, Yi-Zhi; You, Xiao-Zeng","Single-ion magnets based on mononuclear lanthanide complexes with chiral Schiff base ligands [Ln(FTA)3L] (Ln = Sm, Eu, Gd, Tb and Dy).","Chemical communications (Cambridge, England)","2010","46","17","2929","2931","10.1039/b924547b","","","0.71073","MoKα","","0.0645","0.0492","","","0.1075","0.1106","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105468","10.4826","0.001","10.4826","0.001","34.508","0.006","90","","90","","120","","3283.9","0.7","291","2","291","2","","","","","","","","6","P 32","P 32","145","","","","- C44 H32 Eu F9 N2 O11 -","- C44 H32 Eu F9 N2 O11 -","- C132 H96 Eu3 F27 N6 O33 -","3","1","","Li, Dong-Ping; Wang, Tian-Wei; Li, Cheng-Hui; Liu, Dong-Sheng; Li, Yi-Zhi; You, Xiao-Zeng","Single-ion magnets based on mononuclear lanthanide complexes with chiral Schiff base ligands [Ln(FTA)3L] (Ln = Sm, Eu, Gd, Tb and Dy).","Chemical communications (Cambridge, England)","2010","46","17","2929","2931","10.1039/b924547b","","","0.71073","MoKα","","0.0635","0.0512","","","0.1076","0.1101","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105469","10.4701","0.001","10.4701","0.001","34.531","0.006","90","","90","","120","","3278.2","0.7","291","2","291","2","","","","","","","","6","P 32","P 32","145","","","","- C44 H32 F9 N2 O11 Sm -","- C44 H32 F9 N2 O11 Sm -","- C132 H96 F27 N6 O33 Sm3 -","3","1","","Li, Dong-Ping; Wang, Tian-Wei; Li, Cheng-Hui; Liu, Dong-Sheng; Li, Yi-Zhi; You, Xiao-Zeng","Single-ion magnets based on mononuclear lanthanide complexes with chiral Schiff base ligands [Ln(FTA)3L] (Ln = Sm, Eu, Gd, Tb and Dy).","Chemical communications (Cambridge, England)","2010","46","17","2929","2931","10.1039/b924547b","","","0.71073","MoKα","","0.0704","0.0547","","","0.1104","0.1139","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105470","10.4758","0.0016","10.4758","0.0016","34.546","0.007","90","","90","","120","","3283.2","1","291","2","291","2","","","","","","","","6","P 32","P 32","145","","","","- C44 H32 F9 N2 O11 Tb -","- C44 H32 F9 N2 O11 Tb -","- C132 H96 F27 N6 O33 Tb3 -","3","1","","Li, Dong-Ping; Wang, Tian-Wei; Li, Cheng-Hui; Liu, Dong-Sheng; Li, Yi-Zhi; You, Xiao-Zeng","Single-ion magnets based on mononuclear lanthanide complexes with chiral Schiff base ligands [Ln(FTA)3L] (Ln = Sm, Eu, Gd, Tb and Dy).","Chemical communications (Cambridge, England)","2010","46","17","2929","2931","10.1039/b924547b","","","0.71073","MoKα","","0.0609","0.0497","","","0.1046","0.1075","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108187","14.4194","0.0018","14.4194","0.0018","6.0541","0.0007","90","","90","","120","","1090.1","0.2","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C14 H24 O4 -","- C14 H24 O4 -","- C42 H72 O12 -","3","1","","Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong","Total synthesis of (+/-)-pallambins C and D","Chem.Commun.","2012","48","","8517","","10.1039/c2cc34310j","","","0.71073","MoKα","","0.0926","0.0517","","","0.116","0.1386","","","","","","1.033","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7110724","20.054","0.005","20.054","0.005","11.079","0.003","90","","90","","120","","3858.6","1.7","143","2","143","2","","","","","","","","4","P 32","P 32","145","","","","- C58 H64 N4 O11 -","- C58 H64 N4 O11 -","- C174 H192 N12 O33 -","3","1","","Bonomo, Lucia; Solari, Euro; Toraman, Gülsen; Scopelliti, Rosario; Floriani, Carlo; Latronico, Mario","A cylindrical cavity with two different hydrogen-binding boundaries: the calix[4]arene skeleton screwed onto the meso-positions of the calix[4]pyrrole†","Chemical Communications","1999","","23","2413","","10.1039/a907563a","","","0.7107","MoKα","","0.0677","0.0459","","","0.0968","0.1105","","","","","","1.014","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7112411","11.6604","0.001","11.6604","0.001","27.212","0.002","90","","90","","120","","3204.2","0.5","295.9","0.1","295.9","0.1","","","","","","","","5","P 32","P 32","145","","","","- C19 H20 Cl3 N O4 -","- C19 H20 Cl3 N O4 -","- C114 H120 Cl18 N6 O24 -","6","2","","Zhang, Jinlong; Liu, Xihong; Ma, Xiaojuan; Wang, Rui","Organocatalyzed asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam.","Chemical communications (Cambridge, England)","2013","49","81","9329","9331","10.1039/c3cc44059a","","","0.7107","MoKα","","0.0933","0.0654","","","0.1576","0.1878","","","","","","1.064","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112517","7.01706","0.00018","7.01706","0.00018","5.48499","0.00015","90","","90","","120","","233.893","0.011","173","","173","","","","","","","","","4","P 32","P 32","145","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Ishikawa, Kazuhiko; Tanaka, Masahito; Suzuki, Toshiya; Sekine, Akiko; Kawasaki, Tsuneomi; Soai, Kenso; Shiro, Motoo; Lahav, Meir; Asahi, Toru","Absolute chirality of the γ-polymorph of glycine: correlation of the absolute structure with the optical rotation.","Chemical communications (Cambridge, England)","2012","48","48","6031","","10.1039/c2cc30549f","","","1.54187","CuKα","","","0.0321","","","","0.0748","","","","","","1.103","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7113023","18.0407","0.0006","18.0407","0.0006","11.0329","0.0007","90","","90","","120","","3109.8","0.2","187","2","187","2","","","","","","","","7","P 32","P 32","145","","","","- C42 H47 Lu N4 O P2 Si -","- C42 H47 Lu N4 O P2 Si -","- C126 H141 Lu3 N12 O3 P6 Si3 -","3","1","","Yang, Yi; Lv, Kui; Wang, Lingfang; Wang, Yang; Cui, Dongmei","Isoprene polymerization with aminopyridinato ligand supported rare-earth metal complexes. Switching of the regio- and stereoselectivity.","Chemical communications (Cambridge, England)","2010","46","33","6150","6152","10.1039/c0cc00297f","","","0.71073","MoKα","","0.0435","0.0398","","","0.0886","0.0903","","","","","","1.047","","","","has coordinates,has disorder","180244","2020-10-21","18:00:00",""
"7114494","15.4545","0.0003","15.4545","0.0003","13.5594","0.0003","90","","90","","120","","2804.67","0.1","173","","173","","","","","","","","","6","P 32","P 32","145","","","","- C28 H41 Cl4 N7 O13 Zn -","- C28 H25 Cl4 N7 O13 Zn -","- C84 H75 Cl12 N21 O39 Zn3 -","3","1","","Stroh, Christophe; Ziessel, Raymond","A copper(ii) complex of a pentadentate ligand featuring large ferro- and antiferromagnetic interactionsElectronic supplementary information (ESI) available: magnetic data. See http://www.rsc.org/suppdata/cc/b2/b204899j/","Chemical Communications","2002","","17","1916","","10.1039/b204899j","","","0.71073","Mo-Kα","","0.084","0.075","","0.129","","0.096","","","1.784","","","1.33","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115971","11.7082","0.0007","11.7082","0.0007","11.9217","0.0008","90","","90","","120","","1415.3","0.15","296","2","296","2","","","","","","","","4","P 32","P 32","145","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C63 H57 Br3 O12 -","3","1","","Santigopal Mondal; Santhivardhana Reddy Yetra; Atanu Patra; Sunita S. Kunte; Rajesh G. Gonnade; Akkattu T. Biju","N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums","Chem.Commun.","2014","50","","14539","","10.1039/C4cc07433E","","","0.71073","MoKα","","0.0759","0.034","","","0.073","0.0838","","","","","","0.995","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116799","25.473","0.004","25.473","0.004","15.017","0.003","90","","90","","120","","8439","3","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C42 H57 N O2 Zr -","- C42 H57 N O2 Zr -","- C378 H513 N9 O18 Zr9 -","9","3","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0897","0.0888","","","0.2347","0.2352","","","","","","1.128","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7119324","9.98192","0.00009","9.98192","0.00009","11.95006","0.00008","90","","90","","120","","1031.17","0.015","150","","150","","","","","","","","","3","P 32","P 32","145","","","","- C21 H12 O2 -","- C21 H12 O2 -","- C63 H36 O6 -","3","1","","Ngamsomprasert, Niti; Dang, Jing-Shuang; Higashibayashi, Shuhei; Yakiyama, Yumi; Sakurai, Hidehiro","Sumanene derivatives functionalized at the internal carbon.","Chemical communications (Cambridge, England)","2017","53","4","697","700","10.1039/c6cc08970d","","","1.54184","CuKα","","0.042","0.0407","","","0.1253","0.1264","","","","","","1.114","","","","has coordinates","189922","2020-10-21","18:00:00",""
"7121182","12.209","0.003","12.209","0.003","12.997","0.003","90","","90","","120","","1677.8","0.7","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C24 H30 N3 O P -","- C24 H30 N3 O P -","- C72 H90 N9 O3 P3 -","3","1","","Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy","Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.","Chemical communications (Cambridge, England)","2018","54","15","1873","1876","10.1039/c8cc00207j","","","0.71073","MoKα","","0.1376","0.0655","","","0.1494","0.1966","","","","","","0.826","","","","has coordinates","228431","2020-10-21","18:00:00",""
"7121235","28.9605","0.0016","28.9605","0.0016","5.6946","0.0003","90","","90","","120","","4136.2","0.4","110","1","110","1","","","","","","","","4","P 32","P 32","145","","","","- C24 H16 F2 N2 -","- C24 H16 F2 N2 -","- C216 H144 F18 N18 -","9","3","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","0.71073","MoKα","","0.1034","0.0742","","","0.1207","0.133","","","","","","1.054","","","","has coordinates","228448","2020-10-21","18:00:00",""
"7121353","16.138","0.005","16.138","0.005","11.833","0.003","90","","90","","120","","2668.9","1.4","147","2","147","2","","","","","","","","6","P 32","P 32","145","","","","- C36 H50 N2 Na O10 Sc -","- C36 H50 N2 Na O10 Sc -","- C108 H150 N6 Na3 O30 Sc3 -","3","1","","Seo, Min-Seob; Jang, Sumin; Kim, Hyunwoo","A chiral aluminum solvating agent (CASA) for <sup>1</sup>H NMR chiral analysis of alcohols at low temperature.","Chemical communications (Cambridge, England)","2018","54","50","6804","6807","10.1039/C8CC00574E","","","0.71073","MoKα","","0.027","0.0268","","","0.0802","0.0803","","","","","","1.084","","","","has coordinates","228302","2020-10-21","18:00:00",""
"7121404","15.2377","0.0009","15.2377","0.0009","21.055","0.002","90","","90","","120","","4233.7","0.5","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C30 H44 N12 O30 P8 Zn8 -","- C30 H32 N12 O30 P8 Zn8 -","- C90 H96 N36 O90 P24 Zn24 -","3","1","","Ni, Ai-Yun; Mu, Ying; Pan, Jie; Han, Song-De; Shang, Meng-Meng; Wang, Guo-Ming","An organic-inorganic hybrid zinc phosphite framework with room temperature phosphorescence.","Chemical communications (Cambridge, England)","2018","54","30","3712","3714","10.1039/c8cc00724a","","","0.71073","MoKα","","0.1302","0.1015","","","0.2526","0.2683","","","","","","1.074","","","","has coordinates","228421","2020-10-21","18:00:00",""
"7122447","23.752","0.0011","23.752","0.0011","49.776","0.005","90","","90","","120","","24319","3","173","2","173","2","","","","","","","","7","P 32","P 32","145","","","","- C283 H252 F21 Fe4 N36 O33 S7 -","- C283 H252 F21 Fe4 N36 O33 S7 -","- C849 H756 F63 Fe12 N108 O99 S21 -","3","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","","0.1366","0.0788","","","0.1967","0.2439","","","","","","1.192","","","","has coordinates,has disorder","228266","2020-10-21","18:00:00",""
"7122716","11.0671","0.0002","11.0671","0.0002","11.8214","0.0002","90","","90","","120","","1253.91","0.04","120","0.1","120","0.1","","","","","","","","5","P 32","P 32","145","","","","- C18 H15 Cl N2 O5 -","- C18 H15 Cl N2 O5 -","- C54 H45 Cl3 N6 O15 -","3","1","","Liang, Lei; Niu, Hongying; Wang, Dong-Chao; Yang, Xinhe; Qu, Gui-Rong; Guo, Hai-Ming","Facile Synthesis of Chiral [2,3]-Fused Hydrobenzofuran via Asymmetric Cu(I)-Catalyzed Dearomative 1,3-Dipolar Cycloaddition","Chemical Communications","2018","","","","","10.1039/C8CC09226E","","x-ray","1.54184","CuKα","","0.0308","0.0307","","","0.0784","0.0785","","","","","","1.033","","","","has coordinates","212507","2020-10-21","18:00:00",""
"7123509","10.6336","0.0003","10.6336","0.0003","22.522","0.0007","90","","90","","120","","2205.46","0.11","173.05","0.1","173.05","0.1","","","","","","","","7","P 32","P 32","145","","","","- C23 H34 B F6 N3 O6 S2 -","- C23 H34 B F6 N3 O6 S2 -","- C69 H102 B3 F18 N9 O18 S6 -","3","1","","Mercea, Dan; Howlett, Michael; Piascik, Adam D.; Scott, Daniel; Steven, Alan; Ashley, Andrew Edward; Fuchter, Matthew","Enantioselective reduction of N-alkyl ketimines with frustrated Lewis pair catalysis using chiral borenium ions","Chemical Communications","2019","","","","","10.1039/C9CC02900A","","x-ray","0.71073","MoKα","","0.0703","0.0554","","","0.1139","0.1244","","","","","","1.046","","","","has coordinates,has disorder","215424","2020-10-21","18:00:00",""
"7126862","11.309","0.0004","11.309","0.0004","11.3065","0.0004","90","","90","","120","","1252.3","0.08","100","2","100.01","","","","","","","","","5","P 32","P 32","145","","","","- C16 H20 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C48 H63 Cl3 N6 O15 -","3","1","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","","1.54178","CuKα","","0.035","0.0347","","","0.0894","0.0898","","","","","","1.064","","","","has coordinates,has disorder","255973","2020-10-21","18:00:00",""
"7127591","12.8397","0.0012","12.8397","0.0012","8.5551","0.0011","90","","90","","120","","1221.4","0.2","143","2","143","2","","","","","","","","7","P 32","P 32","145","","","","- C17 H17 B Cl F N2 O2 -","- C17 H17 B Cl F N2 O2 -","- C51 H51 B3 Cl3 F3 N6 O6 -","3","1","","Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.","Chemical communications (Cambridge, England)","2020","56","97","15305","15308","10.1039/d0cc06383e","","","0.71075","MoKα","","0.0386","0.0342","","","0.0853","0.0876","","","","","","1.008","","","","has coordinates","259906","2020-12-16","01:45:40",""
"7127597","9.2425","0.0013","9.2425","0.0013","22.02","0.004","90","","90","","120","","1629","0.4","150","2","150","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H35 As N2 -","- C22 H35 As N2 -","- C66 H105 As3 N6 -","3","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","0.71073","MoKα","","0.0421","0.0286","","","0.0518","0.054","","","","","","0.837","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7129779","15.134","0.002","15.134","0.002","27.686","0.002","90","","90","","120","","5491.6","1.1","100","2","100","2","","","","","","","","8","P 32","P 32","145","","","","- C30 H101 Br2 Cu6 Mn N6 O38.5 S6 -","- C30 H74 Br2 Cu6 Mn N6 O25 S6 -","- C90 H222 Br6 Cu18 Mn3 N18 O75 S18 -","3","1","","San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","Serendipitous formation of oxygen-bridged CuII6M (M = MnII, CoII) double cubanes showing electrocatalytic water oxidation","Chemical Communications","2022","","","","","10.1039/D1CC07199H","","","0.4148","synchrotron","","0.0455","0.0442","","","0.1068","0.1092","","","","","","1.09","","","","has coordinates","273509","2022-03-07","22:54:25",""
"7131194","10.8049","0.0002","10.8049","0.0002","12.9961","0.0002","90","","90","","120","","1313.97","0.04","298.62","0.1","298.62","0.1","","","","","","","","3","P 32","P 32","145","","","","- C25 H16 O -","- C25 H16 O -","- C75 H48 O3 -","3","1","","Xiao, Yonghong; Zhu, Can-Ming; Liang, Rong-Bin; Huang, Yong-Liang; Hai, Chun-Hua; Chen, Jian-Rui; Li, Mian; Zhong, Jian-Ji; Huang, Xiao-Chun","Building a cobaloxime-based metal-organic framework for photocatalytic aerobic oxidation of arylboronic acids to phenols.","Chemical communications (Cambridge, England)","2023","59","16","2239","2242","10.1039/d2cc06945h","","x-ray","1.54184","CuKα","","0.061","0.0601","","","0.1701","0.1717","","","","","","1.078","","","","has coordinates,has disorder","283048","2023-05-05","00:12:56",""
"7152807","13.503","0.009","13.503","0.009","14.005","0.01","90","","90","","120","","2211","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 32","P 32","145","","Boc-gV(b-CH2NO2)-gL(b-CH2NO2)-COOEt","","- C24 H44 N4 O9 -","- C24 H44 N4 O9 -","- C72 H132 N12 O27 -","3","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.2453","0.0865","","","0.2072","0.2952","","","","","","0.873","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7153242","11.6708","0.0009","11.6708","0.0009","8.9661","0.0014","90","","90","","120","","1057.6","0.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C42 H54 O12 S3 -","3","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","","0.0359","0.0315","","","0.072","0.0735","","","","","","1.045","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153373","13.2914","0.001","13.2914","0.001","18.1404","0.0013","90","","90","","120","","2775.4","0.4","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C13 H16 N2 S -","- C13 H15.6667 N2 S -","- C117 H141 N18 S9 -","9","3","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.2032","0.1343","","","0.3239","0.3631","","","","","","1.099","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153872","18.3921","0.0007","18.3921","0.0007","23.2883","0.0017","90","","90","","120","","6822.3","0.6","296.24","0.11","296.24","0.11","","","","","","","","5","P 32","P 32","145","","","","- C17 H11 N3 O2 S -","- C17 H11 N3 O2 S -","- C306 H198 N54 O36 S18 -","18","6","","Zhu, Yi-Shuo; Shi, Benyi; Fang, Ran; Wang, Xiaoxuan; Jing, Huanwang","Palladium-catalyzed microwave-assisted direct arylation of imidazo[2,1-b]thiazoles with aryl bromides: synthesis and mechanistic study.","Organic & biomolecular chemistry","2014","12","30","5773","5780","10.1039/c4ob00600c","","","0.7107","MoKα","","0.1152","0.0619","","","0.1226","0.1433","","","","","","1.11","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7154126","13.4156","0.0006","13.4156","0.0006","28.813","0.0014","90","","90","","120","","4491","0.4","173","","173","","","","","","","","","4","P 32","P 32","145","","(R)-N-(1-Phenylethyl)-2-chromonecarboxamide","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C216 H180 N12 O36 -","12","4","","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","","","1.54178","CuKα","","0.0438","0.0438","","","0.1163","0.1164","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7155887","9.3298","0.0001","9.3298","0.0001","25.5998","0.0002","90","","90","","120","","1929.8","0.03","290","2","290","2","","","","","","","","5","P 32","P 32","145","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C78 H81 N9 O12 S3 -","3","1","","Cui, Baodong; Chen, Yu; Shan, Jing; Qin, Lei; Yuan, Changlun; Wang, Yi; Han, Wen-Yong; Wan, Nanwei; Chen, Yong-Zheng","Enantioselective Synthesis of Spiro-oxindole-based 3,4-Dihydropyrroles via a Michael/Cyclization Cascade of 3-Aminooxindoles with 2-Enoylpyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02138K","","","1.54184","CuKα","","0.0344","0.0342","","","0.0916","0.0918","","","","","","1.035","","","","has coordinates","201165","2020-10-21","18:00:00",""
"7158604","9.6924","0.0009","9.6924","0.0009","16.293","0.004","90","","90","","120","","1325.5","0.4","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0891","0.0781","","","0.2876","0.2967","","","","","","1.084","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158607","10.6671","0.0008","10.6671","0.0008","13.665","0.002","90","","90","","120","","1346.6","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0505","0.0391","","","0.0708","0.0735","","","","","","0.955","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158991","11.884","0.003","11.884","0.003","6.298","0.002","90","","90","","120","","770.3","0.4","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C10 H15 F O3 -","- C10 H15 F O3 -","- C30 H45 F3 O9 -","3","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0914","0.0542","","","0.0805","0.0896","","","","","","1.053","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158993","12.3659","0.0005","12.3659","0.0005","5.8839","0.0004","90","","90","","120","","779.2","0.07","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C9 H14 F2 O4 -","- C9 H14 F2 O4 -","- C27 H42 F6 O12 -","3","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0391","0.0319","","","0.068","0.0714","","","","","","1.042","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7200373","16.1628","0.0002","16.1628","0.0002","5.9006","0.0001","90","","90","","120","","1334.93","0.03","100","2","100","2","","","","","","","","4","P 32","P 32","145","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","","- C6.45 H6.34 Cl0.55 O -","- C6.44667 H6.34 Cl0.553333 O -","- C58.02 H57.06 Cl4.98 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.048","0.0405","","","0.099","0.1024","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200374","16.4153","0.0002","16.4153","0.0002","5.7931","0.0002","90","","90","","120","","1351.88","0.05","100","2","100","2","","","","","","","","3","P 32","P 32","145","2-methylphenol","2-methylphenol","","- C7 H8 O -","- C7 H8 O -","- C63 H72 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.0445","0.0431","","","0.1038","0.1048","","","","","","1.069","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7206819","19.8876","0.0004","19.8876","0.0004","19.1704","0.0006","90","","90","","120","","6566.4","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C69 H51 Co4 N7 O18 -","- C69 H51 Co4 N7 O18 -","- C207 H153 Co12 N21 O54 -","3","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.0883","0.0732","","","0.2113","0.2179","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7209134","12.073","0.0017","12.073","0.0017","20.906","0.004","90","","90","","120","","2639","0.7","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag5 I7 N2 -","- C18 H26 Ag5 I7 N2 -","- C54 H78 Ag15 I21 N6 -","3","1","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.1064","0.0688","","","0.1801","0.2029","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209205","22.1502","0.0004","22.1502","0.0004","47.2588","0.0013","90","","90","","120","","20080.2","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","CB6","","","- C180 H262 Cl3 N120 O101 -","- C180 H180 Cl3 N120 O101 -","- C540 H540 Cl9 N360 O303 -","3","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1873","0.1681","","","0.4077","0.4182","","","","","","2.682","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7213577","11.1778","0.0007","11.1778","0.0007","27.641","0.0017","90","","90","","120","","2990.9","0.3","90","2","90","2","","","","","","","","6","P 32","P 32","145","","","","- C28 H30 Mo5 N6 O21 P2 -","- C28 H30 Mo5 N6 O21 P2 -","- C84 H90 Mo15 N18 O63 P6 -","3","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.035","0.0338","","","0.0902","0.0908","","","","","","1.049","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7214533","10.7022","0.0004","10.7022","0.0004","22.8742","0.0019","90","","90","","120","","2268.9","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C26.4 H24.2 Co N2 O7.1 -","- C26.4 H22 Co N2 O7.1 -","- C79.2 H66 Co3 N6 O21.3 -","3","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.1398","0.1046","","","0.2944","0.3235","","","","","","1.298","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214811","28.5554","0.0002","28.5554","0.0002","19.2155","0.0002","90","","90","","120","","13569.3","0.19","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C504 H648 Br36 Fe9 Mn18 N99 O72 -","3","1","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0688","0.0379","","","0.0701","0.0791","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7215222","14.756","0.01","14.756","0.01","4.819","0.004","90","","90","","120","","908.7","1.2","150","2","150","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C36 H54 O9 -","3","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0707","0.0517","","","0.1213","0.13","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7216386","11.473","0.003","11.473","0.003","19.268","0.005","90","","90","","120","","2196.4","1","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H30 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C84 H72 Co3 N12 O27 -","3","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1033","0.0778","","","0.2014","0.2195","","","","","","1.1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7218425","35.5","0.02","35.5","0.02","14.8","0.01","90","","90","","120","","16153","17","100","2","100","2","","","","","","","","6","P 32","P 32","145","","","","- C168 H215.67 Cl6 N12 O46 S6 -","- C168 H215.7 Cl6 N12 O46 S6 -","- C504 H647.1 Cl18 N36 O138 S18 -","3","1","","Bonaccorso, Carmela; Brancatelli, Giovanna; Forte, Giuseppe; Arena, Giuseppe; Geremia, Silvano; Sciotto, Domenico; Sgarlata, Carmelo","Factors driving the self-assembling of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study","RSC Adv.","2014","","","","","10.1039/C4RA09353D","","","0.7","","","0.0864","0.082","","","0.2123","0.2202","","","","","","1.044","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7220982","11.561","0.0001","11.561","0.0001","9.707","0.0002","90","","90","","120","","1123.59","0.03","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C17 H11 N O4 S -","- C17 H11 N O4 S -","- C51 H33 N3 O12 S3 -","3","1","","Montesinos-Magraner, Marc; Cantón, Rubén; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, Carmen; Pedro, Jose R.","Organocatalytic Enantioselective aza-Friedel-Crafts Reaction of 2-Naphthols with Benzoxathiazine 2,2-dioxides","RSC Adv.","2015","","","","","10.1039/C5RA11168D","","","0.71073","MoKα","","0.0523","0.04","","","0.1063","0.1156","","","","","","0.942","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221249","6.143","","6.143","","15.282","","90","","90","","120","","499.427","","","","","","","","","","","","","4","P 32","P 32","145","","Cu2 Sr Ge S4","","- Cu2 Ge S4 Sr -","- Cu2 Ge S4 Sr -","- Cu6 Ge3 S12 Sr3 -","3","1","","Teske, C.L.","Ueber die Darstellung und roentgenographische Untersuchung von Cu2 Sr Ge S4 und Cu2 Ba Ge S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","386","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7224038","13.7436","0.0002","13.7436","0.0002","7.5954","0.0001","90","","90","","120","","1242.46","0.03","140","2","140","2","","","","","","","","4","P 32","P 32","145","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C54 H66 N6 O15 -","3","1","","Yang, Yadi; Cheng, Xuemei; Liu, Wei; Han, Zhu-zhen; Chou, Guixin; Wang, Ying; Sun, Duxin; Wang, Zhengtao; Wang, Changhong","Peganumine B-I and two enantiomers, new alkaloids from the seeds of Peganum harmala Linn and its potential cytotoxicity and cholinesterases inhibitory activities","RSC Adv.","2016","","","","","10.1039/C6RA00086J","","","1.54178","CuKα","","0.0385","0.038","","","0.1048","0.1055","","","","","","1.052","","","","has coordinates","175152","2020-10-21","18:00:00",""
"7227209","12.4065","0.0003","12.4065","0.0003","5.5725","0.0002","90","","90","","120","","742.81","0.04","110","2","110","2","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","x-ray","1.54184","CuKα","","0.0238","0.023","","","0.0593","0.0606","","","","","","1.105","","","","has coordinates","191758","2020-10-21","18:00:00",""
"7227210","12.3863","0.0007","12.3863","0.0007","5.5727","0.0003","90","","90","","120","","740.42","0.07","100","","100","","","","","","","","","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","","1.5418","CuKα","","0.0278","0.0276","","0.0688","0.0686","0.0688","","","","","","0.9188","","","","has coordinates","191758","2020-10-21","18:00:00",""
"7229207","6.9335","0.0006","6.9335","0.0006","10.7367","0.0011","90","","90","","120","","447","0.07","100","2","100","2","","","","","","","","4","P 32","P 32","145","","Ethylammonium acetate","","- C4 H11 N O2 -","- C4 H11 N O2 -","- C12 H33 N3 O6 -","3","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","0.71073","MoKα","","0.0553","0.0425","","","0.0935","0.0987","","","","","","1.062","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229939","11.71759","0.00015","11.71759","0.00015","9.48728","0.00013","90","","90","","120","","1128.1","0.03","100","0.1","100","0.1","","","","","","","","4","P 32","P 32","145","11-Azaart","11-azaartemisinin","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C45 H69 N3 O12 -","3","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0579","0.0582","","","","","","1.016","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7230543","29.3603","0.0005","29.3603","0.0005","20.4187","0.0004","90","","90","","120","","15243.3","0.5","296","2","296","2","","","","","","","","6","P 32","P 32","145","lamivudine duplex V","","","- C36 H48 F6 N12 O17 S4 -","- C36 H48 F6 N12 O17 S4 -","- C432 H576 F72 N144 O204 S48 -","12","4","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0922","0.0649","","","0.1625","0.1863","","","","","","1.025","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7231434","9.5307","0.0004","9.5307","0.0004","12.9688","0.0007","90","","90","","120","","1020.19","0.08","130","2","130","2","","","","","","","","4","P 32","P 32","145","","","","- C17 H19 N0 O2 -","- C17 H19 O2 -","- C51 H57 O6 -","3","1","","Jiang, Qian; Zhang, Mingguang; Wang, Zhonglong; Song, Jie; Yang, Yiqin; Li, Wenchao; Gu, Wen; Xu, Xu; Xu, Haijun; Wang, Shifa","Nopinone-based aggregation-induced emission (AIE)-active difluoroboron β-diketonate complex: photophysical, electrochemical and electroluminescence properties","RSC Advances","2018","8","52","30055","","10.1039/C8RA05031G","","","0.71073","MoKα","","0.0886","0.0696","","","0.1416","0.1517","","","","","","1.03","","","","has coordinates","210127","2020-10-21","18:00:00",""
"7231867","14.087","0.002","14.087","0.002","10.146","0.001","90","","90","","120","","1743.7","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Tm -","- F4 K Tm -","- F72 K18 Tm18 -","18","6","","Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing","Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.","Physical chemistry chemical physics : PCCP","2018","20","48","30297","30303","10.1039/c8cp06363j","","x-ray","0.4","","","0.031","0.0301","","","0.0385","0.0386","","","","1.73","1.73","1.71","","","","has coordinates","230931","2020-10-21","18:00:00",""
"7233827","8.0479","0.0019","8.0479","0.0019","9.904","0.003","90","","90","","120","","555.5","0.3","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- Br3 Cs Hg -","- Br3 Cs Hg -","- Br9 Cs3 Hg3 -","3","1","","Songwei Lv; Qi Wu; Xianggao Meng; Lei Kang; Cheng Zhong; Zheshuai Lin; Zhanggui Hu; Xingguo Chen; Jingui Qin","A promising new nonlinear optical crystal with high laser damage threshold for application in the IR region: synthesis, crystal structure and properties of noncentrosymmetric CsHgBr3","Journal of Materials Chemistry C","2014","2","","6796","6801","10.1039/C4TC00565A","","","0.71073","MoKα","","0.1143","0.0687","","","0.1582","0.1932","","","","","","0.884","","","","has coordinates","218257","2020-10-21","18:00:00",""
"7237804","10.66","0.0003","10.66","0.0003","24.2225","0.0006","90","","90","","120","","2383.77","0.11","295.84","0.16","295.84","0.16","","","","","","","","5","P 32","P 32","145","","","","- C28 H36 Cl2 N6 O6 -","- C28 H36 Cl2 N6 O6 -","- C84 H108 Cl6 N18 O18 -","3","1","","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","","0.0663","0.062","","","0.1633","0.1709","","","","","","1.05","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7238286","11.2067","0.0006","11.207","","32.115","0.002","90","","90","","120","","3493.1","0.3","293","2","293","2","","","","","","","","4","P 32","P 32","145","Dithiolone-thione (R)-3","","","- C57 H40 O4 S6 -","- C57 H40 O4 S6 -","- C171 H120 O12 S18 -","3","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0947","0.0864","","","0.2189","0.2246","","","","","","1.123","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7239312","9.277","0.0003","9.277","0.0003","34.749","0.003","90","","90","","120","","2589.9","0.3","296","2","296","2","","","","","","","","4","P 32","P 32","145","","","","- C7.94 H6.53 N0.35 O0.18 -","- C7.94118 H6.52941 N0.352941 O0.176471 -","- C135 H111 N6 O3 -","17","5.66667","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.1998","0.0596","","","0.1175","0.1684","","","","","","0.921","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7242295","12.7815","0.0003","12.7815","0.0003","12.6563","0.0003","90","","90","","120","","1790.61","0.07","100","0.3","100","0.3","","","","","","","","5","P 32","P 32","145","","","","- C24 H20 O8 P2 Zn -","- C24 H20 O8 P2 Zn -","- C72 H60 O24 P6 Zn3 -","3","1","","Dębowski, Maciej; Florjańczyk, Zbigniew; Ostrowski, Andrzej; Guńka, Piotr A.; Zachara, Janusz; Krztoń-Maziopa, Anna; Chazarkiewicz, Jakub; Iuliano, Anna; Plichta, Andrzej","1D and 2D hybrid polymers based on zinc phenylphosphates: synthesis, characterization and applications in electroactive materials","RSC Advances","2021","11","14","7873","7885","10.1039/D0RA09493E","","","0.71073","MoKα","","0.0253","0.0244","","","0.0553","0.0559","","","","","","1.023","","","","has coordinates","262085","2021-02-19","05:24:28",""
"7246726","15.0194","0.001","15.0194","0.001","33.038","0.003","90","","90","","120","","6454.3","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C30 H30 I30 N6 Te3 -","- C30 H30 I30 N6 Te3 -","- C90 H90 I90 N18 Te9 -","3","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","","0.71073","MoKα","","0.03","0.0242","","","0.0433","0.0448","","","","","","1.035","","","","has coordinates,has disorder","282977","2023-05-04","01:19:22",""
"7247290","16.4343","0.0005","16.4343","0.0005","11.4451","0.0004","90","","90","","120","","2677.03","0.15","140","0.1","140","0.1","","","","","","","","5","P 32","P 32","145","","","","- C4 H12 Cl4 I N -","- C4 H12 Cl4 I N -","- C36 H108 Cl36 I9 N9 -","9","3","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0399","0.0353","","","0.0614","0.0643","","","","","","1.027","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7700845","13.3542","0.0004","13.3542","0.0004","22.3819","0.0006","90","","90","","120","","3456.71","0.17","100","0.1","100","0.1","","","","","","","","5","P 32","P 32","145","","","","- C54 H52 P2 Ru Se2 -","- C54 H52 P2 Ru Se2 -","- C162 H156 P6 Ru3 Se6 -","3","1","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","0.71073","MoKα","","0.1245","0.067","","","0.1105","0.1284","","","","","","1.003","","","","has coordinates","224505","2020-10-21","18:00:00",""
"7702693","10.446","0.002","10.446","0.002","18.561","0.003","90","","90","","120","","1754","0.6","193","2","193","2","","","","","","","","6","P 32","P 32","145","","","","- C15 H18 Cl2 Cu N6 O11 -","- C15 H18 Cl2 Cu N6 O11 -","- C45 H54 Cl6 Cu3 N18 O33 -","3","1","","Domínguez-Vera, Jose M.; Rodríguez, Antonio; Cuesta, Rafael; Kivekäs, Raikko; Colacio, Enrique","A tris-imidazolecarboxyaldehyde copper(ii) complex with unusual carbonyl co-ordination: structure and reactivity","Journal of the Chemical Society, Dalton Transactions","2002","","4","561","","10.1039/b106982a","","","0.71073","MoKα","","0.0856","0.0634","","","0.1469","0.155","","","","","","1.037","","","","has coordinates,has disorder","243961","2020-10-21","18:00:00",""
"7702866","15.13","0.0002","15.13","0.0002","22.1343","0.0005","90","","90","","120","","4388.08","0.13","223","2","223","2","","","","","","","","6","P 32","P 32","145","[Ag2L3(OH)][ClO4].2.5H2O","","","- C54 H72 Ag2 Cl N12 O13.5 -","- C54 H70 Ag2 Cl N12 O13.5 -","- C162 H210 Ag6 Cl3 N36 O40.5 -","3","1","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination networks of Ag(i) and N,N′- bis(3-pyridinecarboxamide)-1,6-hexane: structures and anion exchange","J. Chem. Soc., Dalton Trans.","2002","","24","4561","","10.1039/B206680G","","","0.71073","MoKα","","0.079","0.0608","","","0.1359","0.1462","","","","","","1.041","","","","has coordinates","244053","2020-10-21","18:00:00",""
"7708227","8.0735","0.0002","8.0735","0.0002","31.3692","0.001","90","","90","","120","","1770.75","0.08","293","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H24 N2 O2 Se2 -","- C28 H24 N2 O2 Se2 -","- C84 H72 N6 O6 Se6 -","3","1","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.049","0.0351","","","0.0598","0.0646","","","","","","0.965","","","","has coordinates","269037","2021-09-07","22:56:21",""
"8101070","12.043","0.002","12.043","0.002","7.666","0.002","90","","90","","120","","962.9","0.3","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C11 H16 O6 -","- C11.02 H16.06 O6 -","- C33.06 H48.18 O18 -","3","1","","Ries, A.; Sander, J.; Hegetschweiler, K.","Crystal structure of 2,3-O-dimethyl-5,6-O-isopropylidene-L-ascorbic acid, C~11~H~16~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","577","578","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8107413","8.0196","0.0002","8.0196","0.0002","26.2366","0.0005","90","","90","","120","","1461.31","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 32","P 32","145","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C66 H78 N6 O12 -","3","1","","Pan, Ting; Shi, Da-Bin","Crystal structure of dimethyl 4,4′-(((1R, 2R)-cyclohexane-1,2-diyl)bis(azanediyl))dibenzoate, C22H26N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","265","267","10.1515/ncrs-2023-0008","","x-ray","1.54184","CuKα","","0.0295","0.029","","","0.0823","0.0829","","","","","","1.031","","","","has coordinates","284521","2023-06-21","09:19:28",""
"9004354","5.765","","5.765","","18.001","","90","","90","","120","","518.115","","","","","","","","","","","","","5","P 32","P 32","145","","","Parakhinite","- Cu3 H2 O8 Pb Te -","- Cu3 H2 O8 Pb Te -","- Cu9 H6 O24 Pb3 Te3 -","3","1","","Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.","Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula","The Canadian Mineralogist","1995","33","","33","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9004449","6.726","","6.726","","15.044","","90","","90","","120","","589.397","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","5","P 32","P 32","145","","","Sheldrickite","- C2 Ca3 F3 Na O7 -","- C2 Ca3 F3 Na O7 -","- C6 Ca9 F9 Na3 O21 -","3","1","","Grice, J. D.; Gault, R. A.; Van Velthuizen, J.","Sheldrickite, a new sodium-calcium-fluorocarbonate mineral species from Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","1997","35","","181","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9015837","10.464","","10.464","","13.176","","90","","90","","120","","1249.42","","","","","","","","","","","","Mayener Feld, Eifel, Germany","4","P 32","P 32","145","","","Combeite","- Ca3.5 Na4.5 O18 Si6 -","- Ca10.5 Na13.5 O54 Si18 -","- Ca10.5 Na13.5 O54 Si18 -","","","","Fischer, R. X.; Tillmanns, E.","Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the low-temperature form of combeite","Neues Jahrbuch fur Mineralogie, Monatshefte","1983","1983","","49","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""